smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc([N+](=O)[O-])cc1NC(=O)c1c([N+](=O)[O-])cnn1C 2067054 KNEPPUJNMDUVJW-UHFFFAOYSA-N 321.249 1.497 5 40 DDBB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc([N+](=O)[O-])c1O 408810038 IGACAGLFNSEKPU-UITAMQMPSA-N 310.287 1.975 5 40 DDBB C[N+]1([O-])[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 394477 HGWPFSBHDACWNL-VFORCBIJSA-N 305.374 1.944 5 40 DDBB in-vitro CS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 5688544 JWSXUZMEZMZHNO-SECBINFHSA-N 300.336 1.589 5 40 DDBB C[C@@H]1CCCN([C@]2(O)C(=O)N(C)c3ccc([N+](=O)[O-])cc32)C1 104132382 QCRYIEAIXFKWNH-MEBBXXQBSA-N 305.334 1.448 5 40 DDBB CCN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)NC(C)C 36394284 NQBRWNWOHMPUSZ-UHFFFAOYSA-N 309.366 1.820 5 40 DDBB CCn1cnnc1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 89310073 OVWTXIVDMSUPLE-UHFFFAOYSA-N 304.310 1.570 5 40 DDBB CC(=O)NC1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 4909037 NOLPFRMXYUTKMG-UHFFFAOYSA-N 320.349 1.134 5 40 DDBB CCc1ccc(NC(=O)[C@@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] 95395854 BKHFTCUEVCQXDF-GFCCVEGCSA-N 320.393 1.732 5 40 DDBB C[C@H](c1nc2c3ccccc3ncn2n1)n1cc([N+](=O)[O-])cn1 2806436 VPVNUTLMRPIBET-SECBINFHSA-N 309.289 1.992 5 40 DDBB CS(=O)(=O)c1ccccc1C(=O)Nc1ccncc1[N+](=O)[O-] 67168606 XAZWJKDJVWTZIS-UHFFFAOYSA-N 321.314 1.646 5 40 DDBB COC[C@@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 9119073 HNNGQMSFKJTVQH-GFCCVEGCSA-N 321.377 1.962 5 40 DDBB C[S@@](=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 76023438 LAQSQCKYFBBOQF-NRFANRHFSA-N 315.370 1.234 5 40 DDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 248133516 LPJNBUUGOGAAKR-FDYHWXHSSA-N 316.269 1.046 5 40 DDBB CCOC(=O)/C=C/C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 5417101 AMYHWVQDUQPKEA-BQYQJAHWSA-N 307.258 1.440 5 40 DDBB CONC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 10893290 XBCVSANKSCJAQR-UHFFFAOYSA-N 304.306 1.748 5 40 DDBB Cc1[nH]c2nc(NCc3cccc([N+](=O)[O-])c3)nn2c(=O)c1C 101262552 IPXSDBHTMZRCPB-UHFFFAOYSA-N 314.305 1.555 5 40 DDBB COc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1[N+](=O)[O-] 3335660 XFHCEZZUGYYJMX-UHFFFAOYSA-N 304.258 1.971 5 40 DDBB CNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 8055842 MLYXBEZPMNWSPU-SECBINFHSA-N 315.351 1.094 5 40 DDBB Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](CN)C1CC1 95972646 NDFANLDMKSOPAB-GFCCVEGCSA-N 313.379 1.227 5 40 DDBB O=[N+]([O-])c1ccc(NCC2CCS(=O)(=O)CC2)c(F)c1 95975080 SEWWVOBNNMOEQF-UHFFFAOYSA-N 302.327 1.971 5 40 DDBB O=C(NCc1ccc(F)cc1)c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 78774253 NTOQHJKPCJNKCZ-NXEZZACHSA-N 306.253 1.271 5 40 DDBB CCN(CCO)C(=O)c1ccc(Br)cc1[N+](=O)[O-] 95439337 XPNKLNRPBVAKJD-UHFFFAOYSA-N 317.139 1.812 5 40 DDBB CN(C)C(=O)CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 97095518 XZUQRHFOWNSSFN-UHFFFAOYSA-N 313.741 1.846 5 40 DDBB COc1c(OC(C)=O)ccc(/C=C2\N=C(C)OC2=O)c1[N+](=O)[O-] 5546034 OXXRXOCLIYERKC-POHAHGRESA-N 320.257 1.845 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])n1)Nc1nc2ccc(F)cc2s1 53835206 DDVJVFCONOXAIO-UHFFFAOYSA-N 322.281 1.574 5 40 DDBB CC(C)(C)[S@](=O)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 79028368 VBCJZLHUFUBHCC-NRFANRHFSA-N 314.363 1.577 5 40 DDBB COC(=O)CSc1nc(-c2ccc(O)c([N+](=O)[O-])c2)n[nH]1 33849451 WIZYWMQIOGOGTQ-UHFFFAOYSA-N 310.291 1.351 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1CO 35207277 FCAZCCCJIFRDTK-GFCCVEGCSA-N 314.363 1.439 5 40 DDBB O=C(Nc1ccccc1CN1CCSCC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 65494987 BBYFDUVVQYOHIN-OCCSQVGLSA-N 321.402 1.839 5 40 DDBB Cc1cc(C)n(CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1 6510749 CEKDSWRQNGUEKG-UHFFFAOYSA-N 317.349 1.810 5 40 DDBB CCCCOCCCNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 7814165 XYVSNDHGBFOLNV-UHFFFAOYSA-N 312.370 1.731 5 40 DDBB COC(=O)c1cc(F)cc([N+](=O)[O-])c1C(=O)Cc1ncnn1C 95837040 NIYWPALNWVTHPJ-UHFFFAOYSA-N 322.252 1.074 5 40 DDBB CCNc1ccc(C(=O)OCC(=O)N2CCCC2)cc1[N+](=O)[O-] 4881951 MNJJLVZIEXFKEX-UHFFFAOYSA-N 321.333 1.806 5 40 DDBB C[C@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)CO1 54461381 NKZAHOFJPWWWHT-NEPJUHHUSA-N 317.349 1.920 5 40 DDBB CCOC1(OCC)CS(=O)(=O)[C@H]1c1ccc([N+](=O)[O-])cc1 2036568 GXNJEKSQCKONQD-LBPRGKRZSA-N 315.347 1.834 5 40 DDBB CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(C)C1 56288360 WFPOTFZCMSGLFJ-ZDUSSCGKSA-N 319.361 1.810 5 40 DDBB CNC(=O)c1ccc(N[C@@H](CC(C)C)C(=O)OC)c([N+](=O)[O-])c1 65536474 YDWPXPCJCBWUHL-LBPRGKRZSA-N 323.349 1.954 5 40 DDBB CCC(CC)(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 95394515 AAGGTKVLIPSCCN-UHFFFAOYSA-N 301.368 1.391 5 40 DDBB CCn1nc(C(=O)O)c(I)c1[N+](=O)[O-] 72339434 FCRBKRAZBBRSRM-UHFFFAOYSA-N 311.035 1.114 5 40 DDBB Cc1ccc(NCCCNC(=O)c2csnn2)c([N+](=O)[O-])c1 96417192 DQMKSGCPRXAUIO-UHFFFAOYSA-N 321.362 1.987 5 40 DDBB C[C@H](C(=O)Nc1ncccn1)N(C)Cc1ccccc1[N+](=O)[O-] 69394264 TWFXORHIOLTYER-LLVKDONJSA-N 315.333 1.844 5 40 DDBB COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@+](C)([O-])C2 247950482 LROQBKNDGTWXET-CSBKYJRVSA-N 303.358 1.863 5 40 DDBB CS(=O)(=O)c1nc([N+](=O)[O-])nn1CCCc1ccccc1 359814 MOIKHYXSJHNKQJ-UHFFFAOYSA-N 310.335 1.223 5 40 DDBB O=C(Cn1c2ccccc2c2nc3ccccc3nc21)NCCO 2495502 OWXGDAVKOFZFLP-UHFFFAOYSA-N 320.352 1.846 5 40 DDBB COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CC=CC3)C2)c1 102088776 YCGRYTHBBJZDMO-CYBMUJFWSA-N 317.345 1.832 5 40 DDBB CCOc1ccccc1/C=C/c1nc(O)c([N+](=O)[O-])c(=O)[nH]1 9234997 WDNHXNDQENKAEF-BQYQJAHWSA-N 303.274 1.953 5 40 DDBB O=C(NN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 9592026 BEUGKTNVNWALAM-UHFFFAOYSA-N 311.253 1.536 5 40 DDBB CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@@H]2C)cc1OC 89988857 HOIOKZADQFZLIM-MWLCHTKSSA-N 324.333 1.909 5 40 DDBB Cc1nc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)cs1 97162588 UCHQLLLKQBGWTL-UHFFFAOYSA-N 319.389 1.900 5 40 DDBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C)n[nH]1 14152486 UWBYBAODXGOVFM-UHFFFAOYSA-N 323.334 1.761 5 40 DDBB Cc1nn(CCC(=O)N2CCN3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] 2775131 MTGFMMPQSGWMJZ-CYBMUJFWSA-N 321.381 1.105 5 40 DDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cccnc1 32401500 NETYNHZDEIJOND-UHFFFAOYSA-N 323.330 1.477 5 40 DDBB Cc1nn(C)cc1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2777467 OGUMXFSRDYPVDO-UHFFFAOYSA-N 320.261 1.902 5 40 DDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC1CCCC1 3505917 OAGVPTGLGXXSFM-UHFFFAOYSA-N 317.301 1.250 5 40 DDBB COc1ccc(C(=O)NCCc2ccccn2)cc1[N+](=O)[O-] 5689525 PRQOVILINIGROE-UHFFFAOYSA-N 301.302 1.971 5 40 DDBB CCN1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 71185052 PUHSRNYZBIDCIS-UHFFFAOYSA-N 306.366 1.607 5 40 DDBB COc1cc(C(=O)NC2CCC(C(=O)O)CC2)ccc1[N+](=O)[O-] 95970514 IIJKKNOOZKDFMC-UHFFFAOYSA-N 322.317 1.977 5 40 DDBB COc1ccccc1N1CC[C@@H](n2cc([N+](=O)[O-])cn2)C1=O 95994873 OXXCDHLHPHWXBW-GFCCVEGCSA-N 302.290 1.778 5 40 DDBB CO[C@]1(C)C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C 73267423 HTZYREMUUNSCIO-BXUZGUMPSA-N 310.354 1.501 5 40 DDBB CN(Cc1ccc([S@@](C)=O)cc1)c1ncc([N+](=O)[O-])c(N)n1 96453910 DPLFIEOFXZXAMK-QFIPXVFZSA-N 321.362 1.341 5 40 DDBB Cn1c(S[C@@H]2CCOC2=O)nnc1-c1cccc([N+](=O)[O-])c1 1426998 LLEUYJBAUOMGLO-SNVBAGLBSA-N 320.330 1.798 5 40 DDBB O=C1[C@H]2O[C@@]2(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 101277545 NYGHMTVUQBCABQ-GMLFKKRYSA-N 311.293 1.779 5 40 DDBB O=[N+]([O-])c1ccccc1CNS(=O)(=O)N1CCCCCC1 56088611 MYKGEWOPFJMKKA-UHFFFAOYSA-N 313.379 1.805 5 40 DDBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1CCCC1 7951091 JZKBZXZUCDZWRF-UHFFFAOYSA-N 319.317 1.379 5 40 DDBB Cc1cnc(OCc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 75092366 CVQAEGKRVCKDQU-UHFFFAOYSA-N 312.289 1.853 5 40 DDBB CCc1oc(C(=O)OC)cc1Cn1cccc([N+](=O)[O-])c1=O 96455722 IFMLVDWJRBDDCD-UHFFFAOYSA-N 306.274 1.747 5 40 DDBB Nc1nc(Nc2ccccc2)nc(N2CCOCC2)c1[N+](=O)[O-] 5032829 CHFYKUKTQWPKSI-UHFFFAOYSA-N 316.321 1.547 5 40 DDBB COC(=O)c1nn(CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 584653091 NCVGNWZSHNVDQP-UHFFFAOYSA-N 314.298 1.103 5 40 DDBB CC(C)S(=O)(=O)[C@H](C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] 71857400 WNRNGJZAESTBIW-MRVPVSSYSA-N 318.326 1.884 5 40 DDBB Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)cc1[N+](=O)[O-] 89091931 HCBCNWPHRFGPJB-CMPLNLGQSA-N 313.379 1.309 5 40 DDBB CN1CCC[C@H](N(C)c2ncc([N+](=O)[O-])c(NC3CC3)n2)C1 76023490 UHIRDIRDYFHAPX-NSHDSACASA-N 306.370 1.490 5 40 DDBB CCS(=O)(=O)C[C@@H](C)N(C)c1ncc(Cl)cc1[N+](=O)[O-] 96483126 DMCHJNKDOCIGCE-MRVPVSSYSA-N 321.786 1.903 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1C(=O)Nc2ncnn21 20745070 OZEWNVJOBXCJGQ-JTQLQIEISA-N 316.277 1.017 5 40 DDBB CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 67171675 YBQSJQYCPBQWKP-MWLCHTKSSA-N 311.725 1.693 5 40 DDBB CCn1c(=O)cc(O)c2c3c(O)cc(=O)n(CC)c3ccc21 5508790 RDQAIOYSOKMULK-UHFFFAOYSA-N 300.314 1.767 5 40 DDBB CC[C@@H](C)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 4563934 DQECTPNDJKLPOV-SECBINFHSA-N 304.306 1.219 5 40 DDBB Cc1nn(CC(=O)N2CCOc3ccccc32)c(C)c1[N+](=O)[O-] 25312680 BEITYCHDGGYREK-UHFFFAOYSA-N 316.317 1.834 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 3264008 LZKXXFOVKQPINX-UHFFFAOYSA-N 306.727 1.269 5 40 DDBB COc1ccc(Nc2nc(NCCO)nc(N)c2[N+](=O)[O-])cc1 5055017 XBMPWTXYDMICCN-UHFFFAOYSA-N 320.309 1.123 5 40 DDBB NC(=O)c1ccc(N2CCC(n3cncn3)CC2)c([N+](=O)[O-])c1 71899501 YFCMNMNDGALUTB-UHFFFAOYSA-N 316.321 1.127 5 40 DDBB CCN(CC)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 26931619 IASOJFNZBMEFEM-UHFFFAOYSA-N 324.337 1.407 5 40 DDBB O=[N+]([O-])c1ccc(N2CCN(c3ncc(F)cn3)CC2)cc1 269485740 MTKHIUAHCDKGAN-UHFFFAOYSA-N 303.297 1.851 5 40 DDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C2OCCO2)C1 69321396 NYGXWXBOOQTMOP-CYBMUJFWSA-N 320.345 1.749 5 40 DDBB O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3ccc(Cl)cc32)c1 89807084 KESKALCDUGULSH-ZDUSSCGKSA-N 322.752 1.868 5 40 DDBB CCNS(=O)(=O)[C@@H]1CCN(c2cc(F)ccc2[N+](=O)[O-])C1 252492618 MQOBBALIDXRKJY-SNVBAGLBSA-N 317.342 1.252 5 40 DDBB CCCCN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1 5339780 QNDKLCDCQJOUFL-UHFFFAOYSA-N 321.337 1.292 5 40 DDBB C[N+]1(Cc2cc(=O)[nH]c(O)n2)CCc2[nH]c3ccccc3c2C1 488961 YWMJGBXUYGVISY-UHFFFAOYSA-O 311.365 1.660 5 40 DDBB O=[N+]([O-])C1(Br)COC(c2cccc(O)c2)OC1 1565458 JKINAYVYKTUUCF-UHFFFAOYSA-N 304.096 1.806 5 40 DDBB CCN1CCO[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 2438099 IXIDKVIQJYBWLC-GFCCVEGCSA-N 307.306 1.171 5 40 DDBB CC(C)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 7560803 NIVZIAMMVBNMNY-UHFFFAOYSA-N 308.407 2.000 5 40 DDBB C[C@@](N)(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC1 69809671 RCYNENCWGOOGRG-CYBMUJFWSA-N 313.379 1.538 5 40 DDBB CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)NC1=S 409005913 HBZIIJTVYQUDPF-UITAMQMPSA-N 323.330 1.387 5 40 DDBB CCOC(=O)N1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 12623119 JSKPMKHOEJOVFF-UHFFFAOYSA-N 321.333 1.946 5 40 DDBB O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H](O)C1 84341153 BKJMHUUYEOQZLD-QMMMGPOBSA-N 304.224 1.820 5 40 DDBB C[C@@H]1CCC[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 76021981 AIVOCLSPBKUING-VXGBXAGGSA-N 307.350 1.794 5 40 DDBB O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1 102956909 AEABMSGGISPNLY-UHFFFAOYSA-N 319.298 1.832 5 40 DDBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)C[C@@H](C)O1 13758670 GHTVZHHGJPMSQY-AOOOYVTPSA-N 322.369 1.181 5 40 DDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1 6402142 NQHOYYPXJRBREI-CYBMUJFWSA-N 321.333 1.010 5 40 DDBB Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCc2ccccc21 65721180 OOPCQRLQUGUJTC-ZDUSSCGKSA-N 300.318 1.903 5 40 DDBB Cc1cc(NCCc2nnc3n2CCCC3)ncc1[N+](=O)[O-] 97108402 PVTZSXXVAUZECH-UHFFFAOYSA-N 302.338 1.881 5 40 DDBB CCOc1ccccc1/C=C\c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 33403675 PNNZVKGDRXJJHJ-FPLPWBNLSA-N 303.274 1.953 5 40 DDBB CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)CNC(C)(C)C 77311691 UTFMIXVPSUKJQJ-GFCCVEGCSA-N 310.350 1.925 5 40 DDBB in-vitro COC[C@@H](O)CNc1c(F)cc([N+](=O)[O-])cc1Br 96429519 TWJLQUQMGPBHFS-ZETCQYMHSA-N 323.118 1.916 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(C)CC1 4979916 IPKWJRAXIKNCKS-UHFFFAOYSA-N 313.379 1.229 5 40 DDBB CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 40489181 HKPKWBBNYQKTDY-MRVPVSSYSA-N 318.376 1.306 5 40 DDBB O=[N+]([O-])c1cccnc1NC[C@H]([C@@H]1CCOC1)N1CCCC1 44976793 BTDACPAGFNMFRP-TZMCWYRMSA-N 306.366 1.903 5 40 DDBB COc1ccc(S(=O)(=O)N2CCSC2)cc1[N+](=O)[O-] 69658316 DFLPILUDWREVLX-UHFFFAOYSA-N 304.349 1.298 5 40 DDBB CCc1ccc(NC(=O)[C@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] 95395855 BKHFTCUEVCQXDF-LBPRGKRZSA-N 320.393 1.732 5 40 DDBB CC(=O)N1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 40525433 BMJBTOGOAVVHLZ-UHFFFAOYSA-N 306.322 1.599 5 40 DDBB Cc1cccc(N(C)C[C@H](O)CN2CCOCC2)c1[N+](=O)[O-] 225459550 IXWVVBNAUPYWPB-ZDUSSCGKSA-N 309.366 1.033 5 40 DDBB O=[N+]([O-])c1ncn(C[C@H](O)CO[C@H]2CCCc3ccccc32)n1 95438926 UWMPBTHIBBGFQB-JSGCOSHPSA-N 318.333 1.641 5 40 DDBB O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 1442226 PRIVOAVAFMUNKE-AAEUAGOBSA-N 322.342 1.481 5 40 DDBB CCOC(=O)c1cc(C(=O)N2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 8851937 MCJZLDHBXHHZPT-JTQLQIEISA-N 322.317 1.632 5 40 DDBB O=[N+]([O-])c1ccc2nc(S[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 5614490 VCYWXXQPYVPEGE-MRVPVSSYSA-N 313.360 1.750 5 40 DDBB O=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1nc[nH]n1 5670531 NRHNRKKGDIHFGV-UHFFFAOYSA-N 312.083 1.728 5 40 DDBB Nc1c([N+](=O)[O-])cc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 4595324 OWDAXUIMFXLZFD-UHFFFAOYSA-N 315.185 1.379 5 40 DDBB Cc1cc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])n(C)n1 11453755 RKXVCXJFJJXFLV-UHFFFAOYSA-N 308.269 1.793 5 40 DDBB O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)N1CCCC1=O 2663972 NGDHVBOVLOVXOF-BQYQJAHWSA-N 318.285 1.300 5 40 DDBB O=C(NC1CCN(Cc2ccccc2F)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 58424389 QGBNUGCTZIMADX-HIFRSBDPSA-N 321.352 1.572 5 40 DDBB CC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408733592 LJAXIYCFNOSJAE-FOCJUVANSA-N 314.297 1.818 5 40 DDBB COC(=O)[C@@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(C)C 8770632 WBWXMZVBUTZUKE-LBPRGKRZSA-N 310.306 1.531 5 40 DDBB Cc1ccc(S(=O)(=O)N(C)Cc2nccn2C)c([N+](=O)[O-])c1 69351536 YVLLMJHRDDJLBO-UHFFFAOYSA-N 324.362 1.457 5 40 DDBB O=C(c1cnc(-c2cccc([N+](=O)[O-])c2)nc1)N1CCOCC1 408534156 TVQWQXNPTJGWIY-UHFFFAOYSA-N 314.301 1.524 5 40 DDBB O=C(NCCN1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 19232738 NBNGNCSTXUFEDE-UHFFFAOYSA-N 313.741 1.310 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1C(=O)Nc2ncnn21 13691819 LSEMNRXGTVGFLV-SNVBAGLBSA-N 316.277 1.017 5 40 DDBB O=[N+]([O-])c1cnc2c(c1)CN(Cc1noc(C3CC3)n1)CC2 97373806 QEFGJOYQSSYRLJ-UHFFFAOYSA-N 301.306 1.809 5 40 DDBB COc1ccccc1N1CC[C@H](n2cc([N+](=O)[O-])cn2)C1=O 95994872 OXXCDHLHPHWXBW-LBPRGKRZSA-N 302.290 1.778 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 239297249 DUMHJZLKIUUULP-FDYHWXHSSA-N 300.270 1.346 5 40 DDBB Cn1nnc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)n1 558099 AMAHFERIRMBYNR-HWKANZROSA-N 308.685 1.424 5 40 DDBB Cc1cc([N+](=O)[O-])cc2c1NC(=O)[C@@]2(O)N1CCCCCC1 4164663 WSKCKLUJBVWMHF-OAHLLOKOSA-N 305.334 1.876 5 40 DDBB COc1ccc(F)cc1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 11338515 BXSDFUWHQSCSLL-UHFFFAOYSA-N 306.249 1.787 5 40 DDBB CC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1OC 48322188 CJLGLIHWNVXERI-LLVKDONJSA-N 319.321 1.462 5 40 DDBB COC(=O)CN1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 97032684 NAEQYORVRMTNMD-UHFFFAOYSA-N 321.377 1.584 5 40 DDBB Cc1cc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)on1 96461674 OTEMFRFTGMBKOM-UHFFFAOYSA-N 314.095 1.864 5 40 DDBB COc1cc(OC)c([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1OC 128880 XXXOQNAXNXKJPB-LKFCYVNXSA-N 310.306 1.309 5 40 DDBB CSc1nnc(C)n1NC(=O)c1cccc([N+](=O)[O-])c1C 6200717 ADVQIIRYLXRKKM-UHFFFAOYSA-N 307.335 1.909 5 40 DDBB NC(=O)[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 58257907 RNNLBJLEAPROEX-YWNRKNDBSA-N 307.281 1.081 5 40 DDBB O=[N+]([O-])c1cccnc1NC[C@@H]([C@@H]1CCOC1)N1CCCC1 44976790 BTDACPAGFNMFRP-OCCSQVGLSA-N 306.366 1.903 5 40 DDBB O=C(CN1CC[C@H](N2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] 58328250 QSOAPRYNYPRFFN-ZDUSSCGKSA-N 318.377 1.703 5 40 DDBB C[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1C[C@H]2O 104010016 IYSMYVOALXTCSU-ZOFXXKQRSA-N 320.409 1.046 5 40 DDBB O=C(OCn1nnc2ccccc2c1=O)c1ccc([N+](=O)[O-])o1 2656908 PXCHAPFCVFYPKA-UHFFFAOYSA-N 316.229 1.107 5 40 DDBB CCOC(=O)/C=C(\N)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 100336618 WWUSUKALUZYMHH-SDNWHVSQSA-N 320.349 1.080 5 40 DDBB C[C@@H]1CN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 3445087 NNYJMOVHYXIDMI-NXEZZACHSA-N 312.297 1.749 5 40 DDBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2 12981063 WBRHSRLFCYPVAK-UHFFFAOYSA-N 306.318 1.503 5 40 DDBB Cn1ccnc1Sc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 5959309 LZPLIFJIRLIUFJ-UHFFFAOYSA-N 313.360 1.883 5 40 DDBB C[C@@H]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 97375268 SPDYHDQVRPPYML-LLVKDONJSA-N 321.381 1.424 5 40 DDBB CCn1c(SCC(N)=O)nnc1-c1cccc([N+](=O)[O-])c1 75330665 GFSQQRJBHSKUIC-UHFFFAOYSA-N 307.335 1.451 5 40 DDBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)OC[C@H]1C 106146990 DHGZIGKHENUBBA-NEPJUHHUSA-N 307.350 1.951 5 40 DDBB COC(=O)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 29006920 BMUMMBHKFLGASC-UHFFFAOYSA-N 309.322 1.466 5 40 DDBB Cc1nn(CCC(=O)N2C[C@H](C)O[C@H](C)C2)c(C)c1[N+](=O)[O-] 17887842 HIARTZWIZXXOSR-AOOOYVTPSA-N 310.354 1.434 5 40 DDBB CC(C)CN(CC(C)C)S(=O)(=O)c1cn(C)nc1[N+](=O)[O-] 84544207 WGOWLOJPHVCNFE-UHFFFAOYSA-N 318.399 1.631 5 40 DDBB O=C(Nc1ccc(-n2cncn2)nc1)c1ccc([N+](=O)[O-])o1 29270743 ZWKOWCULPYIFKH-UHFFFAOYSA-N 300.234 1.416 5 40 DDBB NC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1ccccc1 53519 NOQOJRMTXRPRBC-UHFFFAOYSA-N 320.326 1.668 5 40 DDBB O=C(O)C1=C[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2ncnc2N1 102243642 KFGLJPBZFCPSGS-SNVBAGLBSA-N 321.680 1.823 5 40 DDBB O=[N+]([O-])c1ncn(CCc2nc3c4ccccc4ncn3n2)n1 2806243 VKBCXBKITRCZMG-UHFFFAOYSA-N 310.277 1.020 5 40 DDBB CCOC(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 71899703 ZRQVKPFNYXHCIA-UHFFFAOYSA-N 315.713 1.724 5 40 DDBB COC(=O)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)nn1C 408561763 LACGOMGEUGKDBL-UHFFFAOYSA-N 305.246 1.334 5 40 DDBB CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)NC(C)(C)C 48263935 ODUOKPRFUIASLT-SECBINFHSA-N 322.365 1.670 5 40 DDBB O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 100176057 WDHWVBYYVWBZGG-FIQHERPVSA-N 320.688 1.691 5 40 DDBB CC(C)[C@@H](C)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 3602182 PQLYNXPUCDDRDY-SECBINFHSA-N 319.317 1.352 5 40 DDBB C[C@@H](NC(=O)c1ccc(C(N)=O)nc1)c1cccc([N+](=O)[O-])c1 65547377 DLEHDDPZECBYGE-SECBINFHSA-N 314.301 1.580 5 40 DDBB Cn1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 25118494 HSIVSQJNKLRJRM-UHFFFAOYSA-N 304.262 1.124 5 40 DDBB NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 79099441 QZWMXCBEQMQFOW-OLZOCXBDSA-N 305.334 1.759 5 40 DDBB Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCn2cnnc2C1 97380019 MSDFMWFIVVTEDE-UHFFFAOYSA-N 316.321 1.851 5 40 DDBB CCN(CC)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 72242359 JQCCHFCPJDTGLR-UHFFFAOYSA-N 316.335 1.397 5 40 DDBB CS(=O)(=O)CCSc1nc2ccccn2c1[N+](=O)[O-] 69738177 POLRVHYDSXDJRO-UHFFFAOYSA-N 301.349 1.379 5 40 DDBB CC(C)Cn1ncnc1CN1CCc2ncc([N+](=O)[O-])cc2C1 97373842 NATSKWWFAQQRRB-UHFFFAOYSA-N 316.365 1.796 5 40 DDBB CCOC(=O)[C@@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2)C1 45958683 TVQFZBAFIJNXKY-LLVKDONJSA-N 321.333 1.418 5 40 DDBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccnc1 6045298 WBAAYIAFNUIWPC-UHFFFAOYSA-N 308.319 1.249 5 40 DDBB Cc1cc(S(=O)(=O)NC[C@H]2CCCO2)cc([N+](=O)[O-])c1C 7616251 DWNQWGVOBJGTLX-LLVKDONJSA-N 314.363 1.669 5 40 DDBB COC(=O)c1cc(C(=O)Nc2cc(C)nn2C)cc([N+](=O)[O-])c1 58142946 HQNXOLVVUFVRRC-UHFFFAOYSA-N 318.289 1.676 5 40 DDBB C[C@H]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 97375269 SPDYHDQVRPPYML-NSHDSACASA-N 321.381 1.424 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1CCCO1 28326704 WRPTWSKKHJBSPR-PWSUYJOCSA-N 314.363 1.749 5 40 DDBB Cc1ccc(-c2nn3c(=O)c(C)nnc3s2)cc1[N+](=O)[O-] 8394009 BKNINIQPSAOUSD-UHFFFAOYSA-N 303.303 1.738 5 40 DDBB COc1ccc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] 58393286 DZMVGTGRLIJGLU-CHWSQXEVSA-N 319.361 1.960 5 40 DDBB Nc1nc(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])n[nH]1 6321226 QJSIXOJRUIHETF-UHFFFAOYSA-N 312.286 1.165 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](CO)c1ccccc1 65603646 KMTCMTYIWJKKLS-GFCCVEGCSA-N 302.290 1.234 5 40 DDBB Cn1ncc([N+](=O)[O-])c1NC(=O)[C@H]1COc2ccccc2C1 191675618 TWSMEKMLFBJDNG-SNVBAGLBSA-N 302.290 1.518 5 40 DDBB O=C(O)c1nn(-c2ccccc2Br)nc1[N+](=O)[O-] 89263436 CVYNIQYZENMCKS-UHFFFAOYSA-N 313.067 1.636 5 40 DDBB CCOC(=O)[C@H](C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])nc1 98175417 JLTXHSIVXIBPIX-LLVKDONJSA-N 310.306 1.978 5 40 DDBB COC(=O)C1=C(NC(=O)c2ccccc2[N+](=O)[O-])CCS1 265370 UOSQXXIPTFSABV-UHFFFAOYSA-N 308.315 1.846 5 40 DDBB CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCCC1 58330811 MLHKBIYZAXCGDB-LLVKDONJSA-N 306.366 1.851 5 40 DDBB Cc1ncsc1CN[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 85324906 XVEQBJGQKAZZSH-GXTWGEPZSA-N 323.374 1.544 5 40 DDBB COc1ccc(C(=O)N(C)C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] 89340255 WOXWUJYSSYAVNF-YPMHNXCESA-N 308.334 1.836 5 40 DDBB Cc1ccc(Cn2ccs/c2=N/C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1 40114810 XSTUVDAWWKNVCV-SAFUZZNQSA-N 317.370 1.999 5 40 DDBB CN(C)C(=O)OCCn1cc(Br)c([N+](=O)[O-])n1 195568309 UDOKJOSAOQOYIY-UHFFFAOYSA-N 307.104 1.252 5 40 DDBB O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccccn1 95481776 WXWYQSTYBADYKQ-UHFFFAOYSA-N 304.287 1.551 5 40 DDBB CCOC(=O)N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 3569786 IJMZOQLOQASZHJ-UHFFFAOYSA-N 321.333 1.818 5 40 DDBB COC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 4894781 NTKHZLBUDVJRML-UHFFFAOYSA-N 309.278 1.892 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc([N+](=O)[O-])c1 7344474 ABDMKQIVCLXRFM-UHFFFAOYSA-N 305.250 1.647 5 40 DDBB Nc1nc(NCCc2ccccc2)nc(NCCO)c1[N+](=O)[O-] 5030076 QVVQPFGDNAVACC-UHFFFAOYSA-N 318.337 1.026 5 40 DDBB CC(C)(CCCO)CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] 95458794 TXBLXBYMHHTPSM-UHFFFAOYSA-N 320.349 1.813 5 40 DDBB CCc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)n1N 70462399 NGLHBBWNWGIJCS-UHFFFAOYSA-N 309.307 1.312 5 40 DDBB C[C@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 12690294 NKFXJCZPSVITKB-LURJTMIESA-N 308.323 1.414 5 40 DDBB CCn1ncc([N+](=O)[O-])c1C(=O)N(C)Cc1cnn(C)c1C 2777931 JVRPCNYXICEXDF-UHFFFAOYSA-N 306.326 1.125 5 40 DDBB CN(Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 6319936 MDTVKAQGNXVWJF-UHFFFAOYSA-N 321.358 1.879 5 40 DDBB O=[N+]([O-])c1ccc(CCN2CCN(c3cnccn3)CC2)cc1 52458280 PCFHIVVKUJAJTQ-UHFFFAOYSA-N 313.361 1.750 5 40 DDBB Cc1cc(=O)nc2n1[C@](O)(c1cccc([N+](=O)[O-])c1)CS2 27299411 KLMNPAPLVXRHBP-CYBMUJFWSA-N 305.315 1.259 5 40 DDBB O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC(=O)N(CC2CC2)C1 60371714 LNCZAQBVUKMQSJ-JTQLQIEISA-N 321.308 1.931 5 40 DDBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 100615677 XGHKLCSMNZGIHH-YFKTTZPYSA-N 322.248 1.327 5 40 DDBB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCO 4713024 HRZQYMHZXWGUCS-UHFFFAOYSA-N 300.270 1.726 5 40 DDBB CCONC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 72081575 LGNOACGEFPPWHO-CYBMUJFWSA-N 321.333 1.576 5 40 DDBB Cc1ccnc(N2CCN(C3=NC[C@H](C)S3)CC2)c1[N+](=O)[O-] 78400563 VESWPHCUUSIDGY-NSHDSACASA-N 321.406 1.912 5 40 DDBB CO[C@@]1(C)C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C 73267427 HTZYREMUUNSCIO-RISCZKNCSA-N 310.354 1.501 5 40 DDBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccccn2)CC1 20448856 URAYMCSCNCTPHP-UHFFFAOYSA-N 302.290 1.545 5 40 DDBB Cc1c(CNc2cc([N+](=O)[O-])ccc2O)c(O)nn2cnnc12 6694169 IEVALLGVIUEPCZ-UHFFFAOYSA-N 316.277 1.364 5 40 DDBB O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCc2sccc2C1 12216305 PAPZZRUGVMUCBR-UHFFFAOYSA-N 305.315 1.543 5 40 DDBB CCOC(=O)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104351897 KYQFMWDOPNFHDT-UHFFFAOYSA-N 300.183 1.980 5 40 DDBB C[C@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 100172059 KSFCXQHZDYXHJQ-CZPYZCIJSA-N 314.297 1.818 5 40 DDBB COc1cc(CN2CCC[C@@H]([C@@H](C)N)C2)cc([N+](=O)[O-])c1O 97162649 QBSXFIDYHQASER-ZYHUDNBSSA-N 309.366 1.868 5 40 DDBB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 1195335 YTEDFCBCFDCRDW-HMEQZMJYSA-N 314.297 1.818 5 40 DDBB Cc1c(CN(C)c2ccc([N+](=O)[O-])c3nonc23)cnn1C 4652171 FGYNIGLCNAAQPT-UHFFFAOYSA-N 302.294 1.809 5 40 DDBB O=[N+]([O-])c1cn[nH]c1-c1n[nH]c(Nc2ccc3c(c2)OCO3)n1 12375171 YOHDCRNZDFDTNT-UHFFFAOYSA-N 315.249 1.575 5 40 DDBB COc1ccc(Cn2c(Cl)cc(=O)[nH]c2=O)cc1[N+](=O)[O-] 186964 GLEUNYMCMPIDHM-UHFFFAOYSA-N 311.681 1.155 5 40 DDBB Cc1nn(CCC(=O)N[C@@H]2CCN(C3CC3)C2)c(C)c1[N+](=O)[O-] 69517742 MCCNEQJGXLOOBP-GFCCVEGCSA-N 321.381 1.151 5 40 DDBB CCOCCCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 46033592 UTMLCMAZWMFMOT-UHFFFAOYSA-N 302.352 1.608 5 40 DDBB CCOC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC)c2)CC1 20167858 NSOUJYPXYYVOAN-UHFFFAOYSA-N 308.338 1.915 5 40 DDBB Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1[N+](=O)[O-] 4641512 MGXPBFSXDVZTQW-VOAKCMCISA-N 318.285 1.496 5 40 DDBB CC(=O)Nc1nc(Cn2ccc(C)c([N+](=O)[O-])c2=O)cs1 84247992 QPQFVAPXMNWQDY-UHFFFAOYSA-N 308.319 1.528 5 40 DDBB Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(C(F)(F)F)ccn1 180595805 DILGCFNCYZKRBC-UHFFFAOYSA-N 315.211 1.994 5 40 DDBB NC(=O)C(=Cc1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O 255190272 WBOSGURCTZWWNY-UHFFFAOYSA-N 304.089 1.256 5 40 DDBB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])o1 10256002 QVWOEGYJKCMSIJ-NSHDSACASA-N 315.285 1.505 5 40 DDBB COc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@H](C2)[N+](C)(C)CC[C@@]341 100571336 MLIBORQWQWVNCO-SAPRIBHFSA-N 314.405 1.646 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc([N+](=O)[O-])cc1 8015091 SVUYALOLAGXASB-UHFFFAOYSA-N 305.250 1.647 5 40 DDBB O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1 2795506 QQZQKPVEBQUNFL-UHFFFAOYSA-N 305.250 1.130 5 40 DDBB CCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nnn[nH]1 89949591 LCUIRFSOFFDINM-NSHDSACASA-N 304.310 1.308 5 40 DDBB O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccnc2ccnn12 72290205 QSXCEJNATARAPD-UHFFFAOYSA-N 312.289 1.688 5 40 DDBB CSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])o1)C=C(C(=O)O)N2 102335772 QFUQAGJJXSFGPQ-ZCFIWIBFSA-N 323.290 1.485 5 40 DDBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](CO)C2)c1 26711477 YLNLAQGNNSAXFK-TZMCWYRMSA-N 310.350 1.039 5 40 DDBB Cn1cnc(-c2cccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])c2)n1 548088955 YEBZEOHTFIIHIT-UHFFFAOYSA-N 313.277 1.366 5 40 DDBB Nc1ccccc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 6971674 VSLPPZAHMBUFDL-UHFFFAOYSA-N 315.285 1.973 5 40 DDBB O=C1c2ccccc2C(=O)N1CCCCn1cc([N+](=O)[O-])cn1 74061554 LMMAAUPKIFISFB-UHFFFAOYSA-N 314.301 1.868 5 40 DDBB Nc1cc(N)nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 16385879 HVTCHIYLZFORIG-UHFFFAOYSA-N 308.279 1.609 5 40 DDBB O=[N+]([O-])c1c(O)c([N+](=O)[O-])c2nc3cccnc3c(O)c2c1O 8613318 ZHGKDBYBYSBOIZ-UHFFFAOYSA-N 318.201 1.716 5 40 DDBB O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc2c(s1)COCC2 75439278 KOQZNOQMPPTRKR-UHFFFAOYSA-N 323.334 1.349 5 40 DDBB CC[C@H](C)[C@@H](CO)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] 71920882 WKRQDHAEICEHBO-VHSXEESVSA-N 306.322 1.422 5 40 DDBB CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CN)C1CC1 225479152 YNHPJTFAAWEPAZ-LBPRGKRZSA-N 313.379 1.173 5 40 DDBB CC(C)(CN)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 95432020 XNRIHCPMABTYKK-UHFFFAOYSA-N 307.759 1.264 5 40 DDBB Cc1n[nH]c(SCC(=O)NCc2cccnc2)c1[N+](=O)[O-] 4787967 YQHCGWFFRDCDEU-UHFFFAOYSA-N 307.335 1.430 5 40 DDBB Cc1occc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 16544610 KFRIAQMECPEYLD-UHFFFAOYSA-N 304.258 1.952 5 40 DDBB COc1cccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1OC 15009226 RCOFVFNWIANBAA-VOTSOKGWSA-N 319.273 1.571 5 40 DDBB COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])s1 71843952 HKXFBXMRTSBHGN-UHFFFAOYSA-N 301.368 1.354 5 40 DDBB CCS(=O)(=O)CCn1cc(-c2ccccc2[N+](=O)[O-])cn1 182308411 QSNZGOUWJWZYSJ-UHFFFAOYSA-N 309.347 1.893 5 40 DDBB CCn1cc(S(=O)(=O)Nc2cc(C)ccn2)c([N+](=O)[O-])n1 83843359 OIBVLKFBZQZJOT-UHFFFAOYSA-N 311.323 1.315 5 40 DDBB CCOC(=O)C1=C(COc2cccc([N+](=O)[O-])c2)NC(=O)NC1 25393833 LKJOHFPFVGHJPW-UHFFFAOYSA-N 321.289 1.104 5 40 DDBB O=[N+]([O-])c1ccc(OCCNc2ncnc3[nH]cnc23)cc1 68767473 UVGSBIROKBYJPI-UHFFFAOYSA-N 300.278 1.752 5 40 DDBB O=C(C[C@@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 47090149 NQEPJWOVCBLHHO-ZDUSSCGKSA-N 320.349 1.208 5 40 DDBB O=C(Nc1nnn[nH]1)c1cc2c(ccc3ccccc32)oc1=O 6536457 PAKHYWQLFCUVLP-UHFFFAOYSA-N 307.269 1.712 5 40 DDBB COc1ccc(CN(C)CCN2CCOCC2)cc1[N+](=O)[O-] 71897028 PZOGGQJRQWPLDB-UHFFFAOYSA-N 309.366 1.367 5 40 DDBB CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 72307748 DSPVQBNMLIFLLJ-UHFFFAOYSA-N 315.351 1.377 5 40 DDBB Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1C(=O)NCc1ccco1 79052459 RWTXTNVTURPEAZ-NSHDSACASA-N 319.321 1.207 5 40 DDBB O=C1NC(=S)N/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 13119735 FMLUAKSJMUPACD-XYOKQWHBSA-N 314.326 1.731 5 40 DDBB COC(=O)CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 32442930 HQQVZEXFKYJVGK-UHFFFAOYSA-N 316.335 1.169 5 40 DDBB O=C(NCc1nnc2n1CCC2)c1ccc([N+](=O)[O-])cc1Cl 22191242 SVOAKEBTZIVYNX-UHFFFAOYSA-N 321.724 1.716 5 40 DDBB Cc1cc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)no1 95416393 YFIZGDCIDVKDPM-UHFFFAOYSA-N 314.095 1.864 5 40 DDBB NC(=O)C[C@H]1CCCCN1c1nc2sccn2c1[N+](=O)[O-] 95446182 SKCNOXGCAUOJMZ-MRVPVSSYSA-N 309.351 1.538 5 40 DDBB CCCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O 409229384 OIVCINQPVBROBE-DHZHZOJOSA-N 305.290 1.906 5 40 DDBB Cc1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])cc1C 408918169 HDKAAMKBKPFEQB-MQYQWHSLSA-N 314.297 1.654 5 40 DDBB C[C@H]1CN(C[C@H]2CCCN2c2ncc([N+](=O)[O-])cn2)C[C@@H](C)O1 195570849 GIFDVNLPQKWKKR-FRRDWIJNSA-N 321.381 1.463 5 40 DDBB NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 96446522 DOXBGNBTKAKBBS-SNVBAGLBSA-N 319.239 1.304 5 40 DDBB O=C(NCCNc1ccc(CO)cc1[N+](=O)[O-])c1ccccc1 75142103 UTWSYUHRSUJMGK-UHFFFAOYSA-N 315.329 1.929 5 40 DDBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCOCC1 3371191 PRGIVFQYYHIKCZ-SNAWJCMRSA-N 320.301 1.010 5 40 DDBB CCN(CC)c1ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1 6274609 MDGSCHASRJOGBG-UHFFFAOYSA-N 313.361 1.027 5 40 DDBB CN1CC[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 95466030 DSLQAEIOWRGEBH-QMTHXVAHSA-N 304.350 1.224 5 40 DDBB C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 33537698 HJJYEFNLTSOMAR-FRRDWIJNSA-N 310.350 1.444 5 40 DDBB CN(Cc1cnn(C)c1)C(=O)COc1ccccc1[N+](=O)[O-] 25045616 DPWNHJQUYPJBKN-UHFFFAOYSA-N 304.306 1.366 5 40 DDBB Cc1nn(Cc2cc(=O)n3c(C)csc3n2)c(C)c1[N+](=O)[O-] 8427955 ZYVREPVBVWRRNY-UHFFFAOYSA-N 319.346 1.834 5 40 DDBB C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C1CC1 65491329 IKRVZCJCVFNPDY-JTQLQIEISA-N 313.379 1.356 5 40 DDBB COC(=O)[C@@](O)(c1cc(C)c(O)c([N+](=O)[O-])c1)C(F)(F)F 34763303 WJLNJOXWYJRUDL-JTQLQIEISA-N 309.196 1.532 5 40 DDBB O=C(Cc1ccccc1[N+](=O)[O-])NCCCNc1ncccn1 42757485 QIRHRZVHEGHUHJ-UHFFFAOYSA-N 315.333 1.546 5 40 DDBB NCC[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 70170415 QSDHSFCNQVMJBM-NSHDSACASA-N 313.379 1.344 5 40 DDBB O=C(c1cscn1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 76017987 VVIADAUSSQCUBQ-SECBINFHSA-N 319.346 1.773 5 40 DDBB CCCN(CCO)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 95985695 KCJUSDUICFDXDA-UHFFFAOYSA-N 303.318 1.988 5 40 DDBB CC(=O)Oc1ccc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc1 409336216 QZRMKPOPZSQUJI-DAXSKMNVSA-N 317.257 1.892 5 40 DDBB CCN1CCN(c2c(Cl)cc(C(N)=O)cc2[N+](=O)[O-])CC1 70462681 KGHJDYMFQQDXRI-UHFFFAOYSA-N 312.757 1.489 5 40 DDBB CS(=O)(=O)N[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 131428087 TYTZISBEXAMMBL-VIFPVBQESA-N 317.342 1.252 5 40 DDBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 100505716 HAOQAKSTJMZPAN-ZWUHOBOKSA-N 314.297 1.736 5 40 DDBB CCOCCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 6957923 UCFLGAGJTJTRES-UHFFFAOYSA-N 302.352 1.608 5 40 DDBB CCC(=O)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 95432612 IYBULQINXGCBRL-AWEZNQCLSA-N 307.350 1.182 5 40 DDBB CC(=O)NC1=NN(C(C)=O)[C@H](c2ccc([N+](=O)[O-])cc2)S1 201266 USGPCMVTZSCZLY-NSHDSACASA-N 308.319 1.596 5 40 DDBB CCOC(=O)C(C)(C)n1nnc(-c2ccc([N+](=O)[O-])cc2)n1 410844 UZJLMRCITKNZSJ-UHFFFAOYSA-N 305.294 1.547 5 40 DDBB CCn1cc(CN(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)c(C)n1 2777894 JSHDAKKKRGDGTD-UHFFFAOYSA-N 320.353 1.434 5 40 DDBB O=C(N1CCOCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 27341286 WOEXPDLTZWMDCM-UHFFFAOYSA-N 320.349 1.169 5 40 DDBB Cn1cnc([N+](=O)[O-])c1N[C@H](CO)Cc1c[nH]c2ccccc12 72296130 FZRZAZPTOOXIHP-NSHDSACASA-N 315.333 1.825 5 40 DDBB O=[N+]([O-])c1cnc(N2CCN(Cc3ccccn3)CC2)nc1 97108515 HYDXFXPLHKLRBE-UHFFFAOYSA-N 300.322 1.102 5 40 DDBB C[C@@H]1[C@@H](OC[C@@H](O)C[N+]2(C)CCOCC2)[C@H]2CC[C@H]1C2(C)C 245240432 RYESREMBPRLDBC-FIDHJVLJSA-N 312.474 1.911 5 40 DDBB C[C@@]1(CN)CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C1 262053128 RCUAONAERRYZPI-AWEZNQCLSA-N 303.322 1.282 5 40 DDBB CCc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 5249423 ZZVQPROPNDJISY-UHFFFAOYSA-N 314.348 1.810 5 40 DDBB Cc1nn(CC(=O)OCC(=O)c2ccccc2)c(C)c1[N+](=O)[O-] 5130266 BZXQCTGNKULYNP-UHFFFAOYSA-N 317.301 1.834 5 40 DDBB O=C(COc1cccnc1[N+](=O)[O-])NCCc1ccc(F)cc1 12486519 HPFXIGLBNOWIKH-UHFFFAOYSA-N 319.292 1.867 5 40 DDBB O=c1nc(O)c([N+](=O)[O-])cn1Cc1ccc(OC(F)F)cc1 75143831 FRTIDYFETIZFBX-UHFFFAOYSA-N 313.216 1.507 5 40 DDBB CCN1CCOC(=O)[C@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 14165399 BDSVBYXKXGMCQD-GFCCVEGCSA-N 307.306 1.171 5 40 DDBB COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] 4846314 YCTAZVTXMUOVJP-JTQLQIEISA-N 322.317 1.771 5 40 DDBB O=[N+]([O-])c1cccc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 71892937 OPWIZFYLRGCVMQ-AWEZNQCLSA-N 310.375 1.746 5 40 DDBB O=C(O)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CCCC1 256046631 HEXVQOHVBRQUHF-UHFFFAOYSA-N 303.278 1.474 5 40 DDBB [O-][N+]1(Cc2ccc3c(c2)OCO3)CCN(c2ncccn2)CC1 205106464 UOCNNJVJUXZOHP-UHFFFAOYSA-N 314.345 1.540 5 40 DDBB in-vitro O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)C(F)(F)F)CC2)cc1 20405380 PKYYLZODOGXZMK-GFCCVEGCSA-N 319.283 1.640 5 40 DDBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(C)(C)O 75138968 AVBSSSDBSUQNGL-UHFFFAOYSA-N 311.338 1.245 5 40 DDBB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 3291114 XLKCEWZSQAVTCS-UHFFFAOYSA-N 323.305 1.376 5 40 DDBB CCOC(=O)C1=C(C)N(N)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 408730908 JZSZEHYMTJCPJM-GFCCVEGCSA-N 320.305 1.372 5 40 DDBB Cc1ccc(NC(=O)CN(C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 58332315 DDQTVRDFRDCIEC-ZDUSSCGKSA-N 307.350 1.953 5 40 DDBB COCC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 48287858 XUJDKJPDQNKFRS-UHFFFAOYSA-N 307.350 1.635 5 40 DDBB Cn1nc([N+](=O)[O-])cc1C(=O)NCc1nc2ccccc2[nH]1 4626229 WEFJPPCCIAGNNF-UHFFFAOYSA-N 300.278 1.135 5 40 DDBB Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 5533824 KFXOEUAFASUKDH-UHFFFAOYSA-N 309.303 1.683 5 40 DDBB O=C(O[C@@H]1CCOC1=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4840429 LOLYTEZKYAMDKM-CYBMUJFWSA-N 320.301 1.667 5 40 DDBB O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOc3ccccc3C2)c1 76082582 YCSFAGZCRGOKIZ-CQSZACIVSA-N 318.333 1.047 5 40 DDBB O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc2ccc(F)cn2n1 79064630 WHBZUIZNUDMUHQ-UHFFFAOYSA-N 319.256 1.002 5 40 DDBB O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC(F)(F)F 40554477 PFWHLRABMPQKSD-UHFFFAOYSA-N 320.227 1.395 5 40 DDBB O=C(NCc1ccccn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10326797 WOMSXLJSQZLXOF-UHFFFAOYSA-N 318.264 1.384 5 40 DDBB COCCNc1c([N+](=O)[O-])nn(-c2cccc(Cl)c2)[n+]1[O-] 4923555 ATBOYIDYUXMCCW-UHFFFAOYSA-N 313.701 1.126 5 40 DDBB C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)[C@H]1C[C@H]2CC[C@H]1C2 106580244 RQXSOMDWCYLZAJ-ZDEQEGDKSA-N 319.361 1.697 5 40 DDBB CCC(CC)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 7777378 ZNMOELSTXPHMMM-UHFFFAOYSA-N 307.350 1.938 5 40 DDBB COCCN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 69516637 MZBDBHOAMZISIO-GFCCVEGCSA-N 307.350 1.293 5 40 DDBB Cc1cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] 80585001 JARVACAOHVHPEE-ZDUSSCGKSA-N 320.349 1.126 5 40 DDBB Cn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)n1 95978077 GBAKQHBOIWJUSU-UHFFFAOYSA-N 300.271 1.268 5 40 DDBB C[C@@]1(OC(=O)c2ccccc2)CS(=O)(=O)C[C@]1(C)[N+](=O)[O-] 5531039 AFXJUGLTXJFMGT-QWHCGFSZSA-N 313.331 1.066 5 40 DDBB COC(=O)/C=C(/Nc1cccc(OC)c1[N+](=O)[O-])C(=O)OC 104058253 SGUOSSVUIPYZSG-VQHVLOKHSA-N 310.262 1.245 5 40 DDBB O=C(NCCc1nnc2ccccn12)c1cccc([N+](=O)[O-])c1 12921704 JCBFAPMSTZXQTF-UHFFFAOYSA-N 311.301 1.610 5 40 DDBB CCS(=O)(=O)c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 15443347 YEGBPXJEKSXHQB-UHFFFAOYSA-N 314.363 1.350 5 40 DDBB O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1C[C@@H]1[N+](=O)[O-] 71911243 XCMJLJXOHPFWMK-VWYCJHECSA-N 319.144 1.808 5 40 DDBB O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1c2ccccc2C[C@H]1O 78997046 UHKCRJDMLZAOMZ-WBVHZDCISA-N 312.325 1.912 5 40 DDBB COCC(=O)Nc1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1 32770046 FFVRFLOHWQOPRE-UHFFFAOYSA-N 305.294 1.657 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])cn1S(=O)(=O)c1ccc(C)cc1 15446283 AYFBDJWRDWDJJZ-UHFFFAOYSA-N 324.314 1.728 5 40 DDBB CCc1nn(C)c2[nH]nc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])c12 72286141 LZQUNTCNEYEBQL-UHFFFAOYSA-N 318.297 1.051 5 40 DDBB Cc1cc(C(=O)NCC(=O)NCc2ccc[nH]2)ccc1[N+](=O)[O-] 97083206 CWPMTDMVTJGKOH-UHFFFAOYSA-N 316.317 1.278 5 40 DDBB CCN(C[C@@H](O)c1cccc(O)c1)c1ncc([N+](=O)[O-])c(N)n1 71285214 OTTOJHQCFAMZLF-GFCCVEGCSA-N 319.321 1.233 5 40 DDBB COC1(C)CN(c2cnc([N+](=O)[O-])c(Br)c2)C1 521398557 OGSYNFGQVYWNQF-UHFFFAOYSA-N 302.128 1.977 5 40 DDBB CN(C)C(=O)CN(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 40139302 UIURKHSAFQLOOS-UHFFFAOYSA-N 306.322 1.004 5 40 DDBB CN(C)[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1(C)C 585142394 WATQHRGJQWPYNU-QWRGUYRKSA-N 307.354 1.229 5 40 DDBB NCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 22200253 LEEZFJJTYPFIIM-UHFFFAOYSA-N 313.257 1.259 5 40 DDBB CCOC(=O)CCCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] 58141890 QTGOOYNIEKOKJJ-UHFFFAOYSA-N 310.306 1.677 5 40 DDBB O=C(NCCNc1nc2ccccn2c1[N+](=O)[O-])c1ccco1 24208094 SCVKFYQZPKDYHO-UHFFFAOYSA-N 315.289 1.677 5 40 DDBB C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 107144993 ZLLCHMBWSIMHGJ-DGCLKSJQSA-N 318.333 1.440 5 40 DDBB COCCN(CCOC)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 56063277 GLXDYLOLHVVZLP-UHFFFAOYSA-N 321.333 1.811 5 40 DDBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc([N+](=O)[O-])ccn1 2375932 HCWXSAZCNAWPOR-UHFFFAOYSA-N 314.213 1.699 5 40 DDBB CN(CC(=O)NCC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1 48320572 AIMCQYFOWZBWNQ-UHFFFAOYSA-N 319.239 1.345 5 40 DDBB COCCCNc1nc(NCCCOC)c([N+](=O)[O-])s1 69697201 FPWGTDGHICXPEY-UHFFFAOYSA-N 304.372 1.948 5 40 DDBB CCOC(=O)[C@@H]1CCCN(C(=N)Nc2ncccc2[N+](=O)[O-])C1 225244860 HKUJPYFTRMTPCQ-SNVBAGLBSA-N 321.337 1.612 5 40 DDBB O=[N+]([O-])c1ccn(C[C@H](O)CN2CCc3ccccc3C2)n1 195545783 FAABKKJDOVHSCJ-CQSZACIVSA-N 302.334 1.211 5 40 DDBB COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1ccnc1 47931622 CZLVONKFGHHMOX-JTQLQIEISA-N 304.306 1.618 5 40 DDBB CCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C 2806431 JFEZYZXWOYTAIK-UHFFFAOYSA-N 310.335 1.920 5 40 DDBB Cc1noc(C)c1CN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 29585920 MNFGDHBYDNFQDE-UHFFFAOYSA-N 320.353 1.255 5 40 DDBB COC(=O)c1cn(CN2CCCc3ccc([N+](=O)[O-])cc32)nn1 69921393 OFYRKGWADHHVRX-UHFFFAOYSA-N 317.305 1.383 5 40 DDBB CCC(CO)(CO)Nc1ccc(Br)cc1[N+](=O)[O-] 79023768 YMKDQMQOJCIPDG-UHFFFAOYSA-N 319.155 1.903 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCc2ccccc21 6120168 BGZRFKORQMKTST-UHFFFAOYSA-N 313.313 1.736 5 40 DDBB CN(Cc1ccccc1)c1nc(N)c([N+](=O)[O-])c(NCCO)n1 5164862 UEVVQMZGRBZCKZ-UHFFFAOYSA-N 318.337 1.008 5 40 DDBB O=[N+]([O-])c1ncn(Cc2nc(Cc3cccc(Cl)c3)no2)n1 67429480 DNUGLDFRRIUFJS-UHFFFAOYSA-N 320.696 1.862 5 40 DDBB COc1ccc([N+](=O)[O-])cc1CNC1(C(N)=O)CCCCC1 88544827 YDAHFQWJOKWUER-UHFFFAOYSA-N 307.350 1.881 5 40 DDBB Cc1nn(C)c(NC[C@@H](O)COc2ccc(F)cc2)c1[N+](=O)[O-] 57149377 LFEJXMFHJWNLRO-LLVKDONJSA-N 324.312 1.628 5 40 DDBB CCN1CCN(CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])CC1 25435973 RDBCVZFHNOTQII-UHFFFAOYSA-N 320.393 1.788 5 40 DDBB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C2 97373303 ROMCRIMDBFXCPL-JTQLQIEISA-N 316.317 1.550 5 40 DDBB Cc1cc(C(=O)NC[C@@H](O)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 95456555 KXXTWBHCWSOBBR-GFCCVEGCSA-N 324.333 1.336 5 40 DDBB CN1C[C@H](C(=O)N2CCCc3c2cccc3[N+](=O)[O-])CC1=O 95436665 DPTUEVMCSXBJQQ-SNVBAGLBSA-N 303.318 1.352 5 40 DDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 5091803 DBERPQOTGLWBFM-OGXIQJDLSA-N 314.297 1.915 5 40 DDBB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc([N+](=O)[O-])cc1 190045 KJPOGPCSTDHUAT-LBPRGKRZSA-N 315.289 1.648 5 40 DDBB COC(=O)c1ccc(/C=C/c2nc(N)[nH]c(=O)c2[N+](=O)[O-])cc1 6621530 SHFNZXFBCLMWQY-QPJJXVBHSA-N 316.273 1.217 5 40 DDBB CCCC[N+](C)(C)CCOC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 103919814 RWVYUOWFWURPRQ-AHDPXTMNSA-N 310.414 1.604 5 40 DDBB C[N+](C)(C)CCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O 4419261 RVXJRZQVSZOSPR-AWEZNQCLSA-O 322.454 1.702 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1C[C@H]1C 6641738 JUXJDAGQBDFDSO-PSASIEDQSA-N 308.290 1.741 5 40 DDBB CN(C)C(=O)CN(C)c1ccc(Br)cc1[N+](=O)[O-] 7269953 AAMQOFBSKQQGOU-UHFFFAOYSA-N 316.155 1.882 5 40 DDBB O=[N+]([O-])c1nn(CCOC[C@H]2CCCO2)cc1Br 89762037 IQTDIYYYNIHIBN-MRVPVSSYSA-N 320.143 1.749 5 40 DDBB Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1[N+](=O)[O-] 101037962 MGXPBFSXDVZTQW-RVMXOQNASA-N 318.285 1.496 5 40 DDBB Cc1ccc(C(=O)NCC(=O)Nc2nccs2)cc1[N+](=O)[O-] 9954447 GSSCHJGOASHMQB-UHFFFAOYSA-N 320.330 1.728 5 40 DDBB CCc1ccc([C@@H]2COCCN2c2ncc([N+](=O)[O-])c(N)n2)o1 96453869 FKVCQNRMUKVKGI-NSHDSACASA-N 319.321 1.700 5 40 DDBB O=C(O)C[C@H](Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 16385870 LNPCMTMXMLBMKC-QMMMGPOBSA-N 316.247 1.523 5 40 DDBB CC1(C)CC(=O)c2sc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nc2C1 44742900 RXGGDXCLAJSUSC-HTRCEHHLSA-N 309.347 1.902 5 40 DDBB C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccccc1[N+](=O)[O-] 71904628 PTIQEWRVLCBOEO-QWRGUYRKSA-N 300.380 1.848 5 40 DDBB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1 4905033 JLDHAUAQEMCQDA-UHFFFAOYSA-N 324.300 1.887 5 40 DDBB Cc1noc(CN2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)n1 69654811 LVZPQFHWWKDNOO-UHFFFAOYSA-N 321.312 1.748 5 40 DDBB CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1SCC 4577893 KZJQSYDAOCRLDH-UHFFFAOYSA-N 312.347 2.000 5 40 DDBB O=[N+]([O-])c1c(OCCO)nc(O)nc1C(Cl)(Cl)Cl 17042433 LKBZSPCJQNITBZ-UHFFFAOYSA-N 318.500 1.288 5 40 DDBB CCN(CC)[C@H](CC(=O)OC)C(=O)Nc1ccccc1[N+](=O)[O-] 4653647 XAFPJIKXKTUQSV-CYBMUJFWSA-N 323.349 1.807 5 40 DDBB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 4863096 OWIRASZRJZHFER-XXHBBNRNSA-N 300.270 1.612 5 40 DDBB Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 4155272 SRUBONBFSBVIBK-JTQLQIEISA-N 309.278 1.720 5 40 DDBB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])o1 96010222 XXWQXKXIYRZWRF-UHFFFAOYSA-N 302.246 1.287 5 40 DDBB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)n1cc([N+](=O)[O-])cn1 97047990 JNIWXRQRMJNCRT-ZWNOBZJWSA-N 316.317 1.992 5 40 DDBB Cn1cc(C(=O)N2CCCc3c2cccc3[N+](=O)[O-])ccc1=O 95436678 NAJRGZBBYYLBTG-UHFFFAOYSA-N 313.313 1.887 5 40 DDBB O=C(NC[C@@H](O)CN1CCCC1)Nc1ccccc1[N+](=O)[O-] 40554348 WIRNPWJIASNJHP-LLVKDONJSA-N 308.338 1.173 5 40 DDBB Nc1nc(N)c2cc([N+](=O)[O-])ccc2c1C(=O)N1CCCC1 224841349 YCCWZWDBDSRZEY-UHFFFAOYSA-N 301.306 1.543 5 40 DDBB Clc1cc(C[N+]23CN4CN(CN(C4)C2)C3)cc(Cl)n1 19324198 FTWORIMVJNRYPM-UHFFFAOYSA-N 301.201 1.397 5 40 DDBB O=C([C@H]1CC=CCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 33111085 LAGLHDODHNKXHN-ZDUSSCGKSA-N 316.361 1.995 5 40 DDBB O=C(Cn1nc([N+](=O)[O-])nc1Br)c1ccccc1 535949 NWYOZODZQONFDG-UHFFFAOYSA-N 311.095 1.832 5 40 DDBB O=[N+]([O-])c1ccc(NCc2ccnc(N3CCOCC3)c2)nc1 26717466 VEMOQOMSJOVBSB-UHFFFAOYSA-N 315.333 1.834 5 40 DDBB Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)ccc1F 10552355 SAWDIELFKGDKAJ-UHFFFAOYSA-N 305.265 1.661 5 40 DDBB Cc1ccc(NC(=O)C[C@H]2SCCNC2=O)cc1[N+](=O)[O-] 2359817 DBTJMKVLNTUMQK-LLVKDONJSA-N 309.347 1.463 5 40 DDBB C[C@H]1CN(CCCCNc2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)O1 75110057 NTDOQKNLDRTRMK-PHIMTYICSA-N 324.385 1.268 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(C(F)(F)F)cc1 48210880 NTJPDRTYUPRMFQ-UHFFFAOYSA-N 315.211 1.844 5 40 DDBB CC1(C)COCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 66332300 SCIKADQDLXNNKR-UHFFFAOYSA-N 322.317 1.617 5 40 DDBB CN(C)C1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 66395595 JNALPKIYNBSKTM-UHFFFAOYSA-N 321.377 1.916 5 40 DDBB C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 69148974 WGWIPLJGDWPWKM-VXGBXAGGSA-N 323.349 1.792 5 40 DDBB O=C(Nc1cccnc1N1CCSCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 51988310 SCGNQMCMBAENPE-MWLCHTKSSA-N 308.363 1.239 5 40 DDBB CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCO1 66608375 ZZMVHPGUHZMFCN-LLVKDONJSA-N 322.317 1.617 5 40 DDBB COc1ccncc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N 58310164 JAXCSOXYAAKBPC-UHFFFAOYSA-N 306.253 1.972 5 40 DDBB Cc1cc(C(=O)N2CCCN3CCC[C@H]3C2)c(N)c([N+](=O)[O-])c1 69586915 VILRUVQSRTUDEX-LBPRGKRZSA-N 318.377 1.796 5 40 DDBB Cc1ccc(NC(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 65538207 JCLQWBZALYYCJI-UHFFFAOYSA-N 308.338 1.357 5 40 DDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@](O)(C(F)(F)F)C1 98013070 QBCSFFWJGQXPRP-NSHDSACASA-N 304.224 1.734 5 40 DDBB Nc1nc(N2CCN(c3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] 71286105 CIWZZXGMMRVZHC-UHFFFAOYSA-N 318.312 1.433 5 40 DDBB CC(=O)c1cc(C(=O)O)c(=O)n(-c2cccc([N+](=O)[O-])c2)n1 225966750 IXQGUKSQARFBNL-UHFFFAOYSA-N 303.230 1.042 5 40 DDBB NS(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cn2)cc1 22798006 NCUVJQPOHXHPKO-UHFFFAOYSA-N 322.346 1.292 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2)n1 5025561 BCKYVFHDRAWJDE-UHFFFAOYSA-N 304.310 1.769 5 40 DDBB C[C@@H](CS(C)(=O)=O)N(C)c1nc2ccccn2c1[N+](=O)[O-] 72281931 PMXPCLWGNRCKQD-VIFPVBQESA-N 312.351 1.112 5 40 DDBB Cc1cccc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 84210720 KCROHYWNBYIKAV-UHFFFAOYSA-N 301.302 1.381 5 40 DDBB CCN(CC(=O)N[C@@H](C)COC)Cc1ccccc1[N+](=O)[O-] 40087775 SQRLNSDYNURVKU-LBPRGKRZSA-N 309.366 1.568 5 40 DDBB COc1ccc(CN(C)CC(=O)N(C)C2CC2)cc1[N+](=O)[O-] 65625290 HROCEWVESXTCBE-UHFFFAOYSA-N 307.350 1.656 5 40 DDBB O=C(NCCNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 24208089 WBZHMVVJYMBSLM-UHFFFAOYSA-N 321.318 1.739 5 40 DDBB CCc1nnc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 72664962 QDLCJWJOOVIMSB-JTQLQIEISA-N 318.337 1.622 5 40 DDBB O=[N+]([O-])c1cc(I)nn1CC(F)(F)F 953061365 AMGAETMYHVUXQU-UHFFFAOYSA-N 320.996 1.958 5 40 DDBB CC1(C)O[C@@H]2O[C@@H](/C=C/[N+](=O)[O-])[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 5741993 PDOCTJUENKPCLN-ZSOYLMPCSA-N 301.295 1.173 5 40 DDBB NS(=O)(=O)c1ccc(NCCc2ccccn2)c([N+](=O)[O-])c1 12636820 SECLYWUBDUZTJS-UHFFFAOYSA-N 322.346 1.292 5 40 DDBB O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc([N+](=O)[O-])o1 3151855 NXMKJVJRMPHYRW-UHFFFAOYSA-N 301.214 1.324 5 40 DDBB NC(=O)CC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 48253864 IBVNPLMRMLPAFH-UHFFFAOYSA-N 317.349 1.489 5 40 DDBB Cc1cnc(OCc2cc(=O)n3ccccc3n2)c([N+](=O)[O-])c1 96451063 KCFNCUSRRJGIEW-UHFFFAOYSA-N 312.285 1.885 5 40 DDBB Cc1nn2cc(-n3cc([N+](=O)[O-])cn3)cnc2c1Br 124335 CKECBSZWPFMCPU-UHFFFAOYSA-N 323.110 1.894 5 40 DDBB CCN(CC)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 59843386 BKESQNGFECWXEU-UHFFFAOYSA-N 307.350 1.913 5 40 DDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccnc1 12586990 XSWMEAGBBLMSBV-UHFFFAOYSA-N 314.301 1.748 5 40 DDBB O=C(O)CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 3111329 NXXKBRGGMSPDNK-UHFFFAOYSA-N 306.274 1.836 5 40 DDBB CC(C)(C)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 57839439 VNFNKAGKVOVYCP-UHFFFAOYSA-N 315.395 1.798 5 40 DDBB COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2C2CC2)c1 91424435 OQWARUNQEDDZAQ-AWEZNQCLSA-N 306.318 1.854 5 40 DDBB CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)O)=C(C)N1 22008124 TZDPJNSHSWMCPN-UHFFFAOYSA-N 318.285 1.999 5 40 DDBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCN1C(=O)CCC1=O 58250879 MHIUELZWAYSGRP-NSHDSACASA-N 305.334 1.737 5 40 DDBB Cc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 6509563 CGOJWYBVOKVJQT-UHFFFAOYSA-N 320.349 1.039 5 40 DDBB O=[N+]([O-])c1ccc2nc(N[C@@H]3CCS(=O)(=O)C3)sc2c1 66451150 HZDBKCDRSPHESA-SSDOTTSWSA-N 313.360 1.804 5 40 DDBB O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccon1 97015472 IXVJHOSBVCAKIY-UHFFFAOYSA-N 300.068 1.555 5 40 DDBB O=C(NCCc1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3618160 KNQBJTZVGQKUAT-UHFFFAOYSA-N 316.273 1.871 5 40 DDBB biogenic COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(N)n1 14359842 KJIKSDPJJVYJBR-UHFFFAOYSA-N 324.322 1.035 5 40 DDBB O=[N+]([O-])c1cccnc1NCc1cccnc1N1CCOCC1 32779289 GFQRGTIBLCHSIP-UHFFFAOYSA-N 315.333 1.834 5 40 DDBB O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)N1CCCC1 2661189 UXRODFJYPBYMBY-BQYQJAHWSA-N 304.302 1.774 5 40 DDBB Nc1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] 47923739 FWVLHTSTQJHCTN-JSGCOSHPSA-N 305.334 1.961 5 40 DDBB CC1(C)Cc2cccc(OCCNC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])c2O1 44502473 HUQNOPKQHOBVBT-NEPJUHHUSA-N 320.345 1.560 5 40 DDBB CC(C)[C@@H](C)NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 3447768 ZLXCMXOTXXFTTG-SNVBAGLBSA-N 318.333 1.465 5 40 DDBB Cc1cc([N+](=O)[O-])cc2c1NC(=O)[C@]2(O)N1CCCCCC1 4164660 WSKCKLUJBVWMHF-HNNXBMFYSA-N 305.334 1.876 5 40 DDBB O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCN2CCCC[C@@H]12 65867876 UDZKGOLTPJIMJU-KBPBESRZSA-N 318.377 1.750 5 40 DDBB Cc1ccc2c(c1)nnn2S(=O)(=O)c1ccccc1[N+](=O)[O-] 5942848 VOSLPGAVIILSTQ-UHFFFAOYSA-N 318.314 1.885 5 40 DDBB Cc1cccc(S(=O)(=O)CCCn2ncc([N+](=O)[O-])c2N)c1 97379470 NZEACNIVMRGFBG-UHFFFAOYSA-N 324.362 1.546 5 40 DDBB O=c1[nH]c(O)nc2c1ncn2Sc1ccc([N+](=O)[O-])cc1 5896126 IGCMEBJTLKSDDK-UHFFFAOYSA-N 305.275 1.289 5 40 DDBB CC(C)[C@@H](CO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 156397613 AWYNZVVNUPXIMV-CYBMUJFWSA-N 307.350 1.090 5 40 DDBB Cc1nn(CC(=O)N[C@H](C)CCc2ccco2)cc1[N+](=O)[O-] 2730611 SROQXWKAMUQKAO-SNVBAGLBSA-N 306.322 1.830 5 40 DDBB CC(C)NC(=O)CN1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 26706172 ULXGYDIIYVULFE-UHFFFAOYSA-N 321.381 1.027 5 40 DDBB CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCS1(=O)=O 78552125 BFVQYXCBLBCJGB-UHFFFAOYSA-N 314.363 1.918 5 40 DDBB COC(=O)CC1(Cn2c(Cl)c([N+](=O)[O-])ccc2=O)CC1 521395014 PRNFJRACRMAKFT-UHFFFAOYSA-N 300.698 1.753 5 40 DDBB COC[C@H](O)CN1CCC(Nc2ccccc2[N+](=O)[O-])CC1 89409731 QZISOXUBXUMPNX-CYBMUJFWSA-N 309.366 1.478 5 40 DDBB O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)nc2)nc1 12823367 MUBJPXLPHTZJTP-UHFFFAOYSA-N 315.333 1.834 5 40 DDBB CC(C)(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO 6533029 DSWAUOVXUJSONI-UHFFFAOYSA-N 324.333 1.771 5 40 DDBB CCN1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 70461807 WUHIBMUMVIBIAY-UHFFFAOYSA-N 302.338 1.317 5 40 DDBB CCn1cc(CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)c(C)n1 2778248 GXWUTDGIWDPUBM-UHFFFAOYSA-N 306.326 1.125 5 40 DDBB Cc1nn(CC(=O)Nc2sccc2C(N)=O)c(C)c1[N+](=O)[O-] 7778491 NMVUUZVKPFLMTE-UHFFFAOYSA-N 323.334 1.207 5 40 DDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100184738 LPJNBUUGOGAAKR-CYDGBPFRSA-N 316.269 1.046 5 40 DDBB C[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 100174637 YTEDFCBCFDCRDW-MPTQWLOMSA-N 314.297 1.818 5 40 DDBB C[C@H]1CN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 5219525 ROFDMZPDAYZMNC-UWVGGRQHSA-N 322.369 1.181 5 40 DDBB CC[C@@H](C)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5447522 YNKKJIKHKKXGRM-LLVKDONJSA-N 307.350 1.960 5 40 DDBB COCCNC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 32777299 JYXBVNLVGWNOIL-UHFFFAOYSA-N 311.319 1.591 5 40 DDBB NC(=O)COc1c(Cl)cc(Br)cc1[N+](=O)[O-] 226241291 LWTZGOPGBFQHGS-UHFFFAOYSA-N 309.503 1.875 5 40 DDBB C[C@@H]1CN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 5219527 ROFDMZPDAYZMNC-NXEZZACHSA-N 322.369 1.181 5 40 DDBB CC(C)c1ccc(CN2CCN(CC(N)=O)CC2)cc1[N+](=O)[O-] 95982370 ZHCWLFJGHRPUGA-UHFFFAOYSA-N 320.393 1.321 5 40 DDBB Cc1ccc(S(=O)(=O)NCc2cc(C)no2)c([N+](=O)[O-])c1 69351957 MHPMLFHKKUMSCZ-UHFFFAOYSA-N 311.319 1.678 5 40 DDBB Nc1nc(N2CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] 71283994 LJLJTTSOQNWPEF-UHFFFAOYSA-N 314.349 1.289 5 40 DDBB Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(Br)c(=O)[nH]1 16952198 SKTZCHQSXXNJRJ-UHFFFAOYSA-N 311.095 1.690 5 40 DDBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC(=O)C1CCCCC1 2726390 OFKHYGNYGLRDAV-UHFFFAOYSA-N 324.289 1.568 5 40 DDBB CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1 32932277 AVUXGTAVPNLZIB-RDBSUJKOSA-N 320.345 1.851 5 40 DDBB CSc1nnc(C)n1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 6234232 YTEOUIDALZCTLG-UHFFFAOYSA-N 307.335 1.909 5 40 DDBB O=C1SCCN1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12645523 YTRMTICKSOAWIY-UHFFFAOYSA-N 322.390 1.843 5 40 DDBB O=[N+]([O-])c1cccc(OC[C@H](O)CSc2ncccn2)c1 14202095 SUWVOMLHIJAASF-NSHDSACASA-N 307.331 1.917 5 40 DDBB COC(=O)c1cc(C(=O)NCc2ncc[nH]2)cc([N+](=O)[O-])c1 72283643 YUILPLSTRBNIDJ-UHFFFAOYSA-N 304.262 1.035 5 40 DDBB CSCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O 21518294 HCJQNAZTZLMJTA-LLVKDONJSA-N 312.347 1.460 5 40 DDBB Cc1cc(N2CCC[C@@H]2CN2CCOCC2)ncc1[N+](=O)[O-] 160401497 KNVXXEBTYFNUKX-CYBMUJFWSA-N 306.366 1.599 5 40 DDBB COc1cc(NC(=O)c2nn(C)cc2C(=O)O)cc([N+](=O)[O-])c1 20614481 PVYZVKAPHXNEPE-UHFFFAOYSA-N 320.261 1.287 5 40 DDBB CCc1cnc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)o1 78929512 MFJUMFFIVXTDTI-UHFFFAOYSA-N 301.258 1.941 5 40 DDBB CCO[C@@H]1C[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C 96418947 VDOHUZIDYKLHJE-CHWSQXEVSA-N 324.381 1.843 5 40 DDBB COc1ccc(Oc2nc3nnnn3c(C)c2[N+](=O)[O-])cc1 1505840530 LIUAKJIIHLLKQH-UHFFFAOYSA-N 302.250 1.537 5 40 DDBB CCOC(=O)[C@@H]([C@H](C[N+](=O)[O-])c1ccccc1)C1(C)OCCO1 5717316 NBEQJYMPWHAXHW-ZIAGYGMSSA-N 323.345 1.989 5 40 DDBB CC(=O)c1ccc(Sc2nc(N)cc(=O)[nH]2)c([N+](=O)[O-])c1 16321921 QZTNGHWUINDVLO-UHFFFAOYSA-N 306.303 1.614 5 40 DDBB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] 28326841 FSHYQCVUNFDGGQ-GWCFXTLKSA-N 314.363 1.749 5 40 DDBB COC(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 2739522 JOUJJJWUJFIUCL-UHFFFAOYSA-N 306.318 1.928 5 40 DDBB Cn1cc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cn1 2764678 OCIRTSCFEOJIIN-UHFFFAOYSA-N 305.250 1.167 5 40 DDBB CN(Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])ccc1=O 83864251 QYUHXBARVAKERK-HNNXBMFYSA-N 317.345 1.249 5 40 DDBB CC(C)C[C@H](CN)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 96483358 FJRSEEKQBWOHDW-SECBINFHSA-N 319.358 1.386 5 40 DDBB O=c1[nH]nc(O)c2c1cc1cc(Br)ccc1[n+]2[O-] 11686589 HIGOKJCMNNRPHC-UHFFFAOYSA-N 308.091 1.178 5 40 DDBB COc1ccc2c3c1O[C@@H]1[C@H](O)CC=C[C@]31CC[N+](C)(C)C2 487787 DOUIWWHBJPGSBE-XWIAVFTESA-N 302.394 1.995 5 40 DDBB CCCn1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 568946 MIOBGCKKUAEHQS-UHFFFAOYSA-N 310.701 1.897 5 40 DDBB O=C1CC(=O)OC(c2ccc(N3CCCC3)c([N+](=O)[O-])c2)O1 59488733 XNXZGHNFYGQMJW-UHFFFAOYSA-N 306.274 1.684 5 40 DDBB COC(=O)C1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 5939226 ZVHOUFHRSMKNSR-UHFFFAOYSA-N 307.306 1.083 5 40 DDBB O=c1[nH]c(=O)n(Cc2csc(-c3ccco3)n2)cc1[N+](=O)[O-] 71905447 XTYARICBAZZTRX-UHFFFAOYSA-N 320.286 1.210 5 40 DDBB NS(=O)(=O)CC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 71899620 JUJKABUYJOZERS-UHFFFAOYSA-N 317.342 1.239 5 40 DDBB O=C(COCC(=O)N1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 4700189 PXQWTZIUZREVCJ-UHFFFAOYSA-N 321.333 1.562 5 40 DDBB COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1ccsc1=N 7238886 ALPZBOMVALHVNJ-UHFFFAOYSA-N 308.319 1.585 5 40 DDBB CC(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C 40536239 YZFFGHPFBZXNAH-ZDUSSCGKSA-N 307.350 1.828 5 40 DDBB CCCN1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 32906207 HNBSZFMYPHFSGP-UHFFFAOYSA-N 317.349 1.135 5 40 DDBB CCN(CCCNc1ccc(F)cc1[N+](=O)[O-])S(C)(=O)=O 54124496 WNXXKKFRAVSQAF-UHFFFAOYSA-N 319.358 1.817 5 40 DDBB CO[C@@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2S[C@@H]21 4991724 FFIVSOJPUPMSCN-MRBYEJRBSA-N 311.315 1.607 5 40 DDBB Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1 6787461 NBDDIGZRLILDLR-WCQGTBRESA-N 310.354 1.420 5 40 DDBB O=c1[nH]c(/C=C\c2ccc3c(c2)OCO3)nc(O)c1[N+](=O)[O-] 33936258 KDPJBIBWVYRTBO-RQOWECAXSA-N 303.230 1.283 5 40 DDBB Cc1[nH]nc(C(=O)N[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] 69874423 SEDWNZSMUDJDNS-LBPRGKRZSA-N 300.318 1.914 5 40 DDBB COc1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cn1 32871406 PQXHUZHWCDTNIV-UHFFFAOYSA-N 302.290 1.511 5 40 DDBB Cc1cc(NC(=O)c2ccn(Cn3cc([N+](=O)[O-])cn3)n2)no1 2788317 JPNNHJUQGOGKPY-UHFFFAOYSA-N 317.265 1.042 5 40 DDBB CCCNC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 3386475 XVBIBNDKUOJABX-UHFFFAOYSA-N 300.698 1.931 5 40 DDBB COCCN1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 69394490 QIXMQCFDKOZNOH-CQSZACIVSA-N 322.365 1.827 5 40 DDBB O=C1O[C@@H](C[N+](=O)[O-])C(Br)=C1Br 101463313 RMFHBULWNVLASE-REOHCLBHSA-N 300.890 1.190 5 40 DDBB O=c1c([N+](=O)[O-])c(NCC[C@H]2CCCO2)nc2ccccn12 24202934 DBOZBULIMQKSLH-SNVBAGLBSA-N 304.306 1.584 5 40 DDBB Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2ccccc2)CC1 57050684 VPUZXZPQVNBMGD-UHFFFAOYSA-N 301.350 1.651 5 40 DDBB NC(=O)c1ccc(CN(C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 44944626 RSBHRWKJOFLEJO-LLVKDONJSA-N 319.361 1.695 5 40 DDBB NC(=O)[C@@H](CNc1ncccc1[N+](=O)[O-])Cc1ccc(F)cc1 69699015 XNJVHRGOOBKOQW-LLVKDONJSA-N 318.308 1.885 5 40 DDBB COCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O 409122973 CVSSKCBVUXXWBE-YRNVUSSQSA-N 324.314 1.983 5 40 DDBB C[C@H](c1cnn(C)c1)N(C)C(=O)c1ccc(O)c([N+](=O)[O-])c1 97374978 OBCVNCNOVYHXPM-SECBINFHSA-N 304.306 1.867 5 40 DDBB Cc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 4504709 PUSNNOFQIQWMHQ-LLVKDONJSA-N 312.347 1.162 5 40 DDBB Nc1cccc2c1C(=O)N(C(=O)c1ccccc1[N+](=O)[O-])C2=O 8166231 UEJZTQQIJLASHO-UHFFFAOYSA-N 311.253 1.613 5 40 DDBB CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1 47249828 MCRXUZBZRJSKCR-NWDGAFQWSA-N 305.334 1.819 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C2CC2)C1 69829972 VLTOVHUNQOTVDH-VIFPVBQESA-N 319.317 1.553 5 40 DDBB Cc1cc(=O)n(Cc2nc3ccsc3c(=O)[nH]2)cc1[N+](=O)[O-] 84072211 UJNPNCAYJZAGBC-UHFFFAOYSA-N 318.314 1.411 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCc2ccccc2C1 7699042 LMCNJPGDPPIFHB-UHFFFAOYSA-N 313.313 1.341 5 40 DDBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/NC(=O)N(C)C1=O 409188585 DZXQDVXEYLAAKC-XBXARRHUSA-N 307.262 1.135 5 40 DDBB CNC(=O)COc1c(C=O)cc(Br)cc1[N+](=O)[O-] 218708536 LTNWSACLUBSOGX-UHFFFAOYSA-N 317.095 1.295 5 40 DDBB CC(C)CN[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1N)C(=O)O 72438745 ORRJPAQTBGPEGT-LBPRGKRZSA-N 324.337 1.204 5 40 DDBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 36274427 YALSXDFXEYVAAF-FNFFVJSTSA-N 316.269 1.046 5 40 DDBB COC(=O)CSc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1475627 YCBIHXWUBVQYME-UHFFFAOYSA-N 305.333 1.263 5 40 DDBB O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCCn1ccnc1 75138080 BHBYJSZHECUPEV-UHFFFAOYSA-N 302.334 1.930 5 40 DDBB C[C@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 100174634 YTEDFCBCFDCRDW-CZPYZCIJSA-N 314.297 1.818 5 40 DDBB COCCNc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1[N+](=O)[O-] 12804467 RJZNUFUIAYPYNJ-SECBINFHSA-N 323.305 1.091 5 40 DDBB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])cc1 3844164 CLHDCAMYENPKES-LLVKDONJSA-N 307.331 1.561 5 40 DDBB biogenic Cc1nc(CN2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)no1 78251582 CKPVWXLERUHEAO-UHFFFAOYSA-N 318.337 1.312 5 40 DDBB CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 13608501 NDLSUCKYXQNFRR-CHWSQXEVSA-N 314.363 1.519 5 40 DDBB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc([N+](=O)[O-])cn1C 21839892 ILTDLHDREOBWOH-ZYHUDNBSSA-N 323.349 1.785 5 40 DDBB COc1cc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])ccc1N1CCCC1=O 58424358 LCWDAVJEVJXZMP-CMPLNLGQSA-N 319.317 1.426 5 40 DDBB CC(=O)N[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 48273910 FYVIQHQHKBTHLH-CYBMUJFWSA-N 317.349 1.503 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CC(=O)NCCOc1ccccc1 7344403 PPKZPMSDIJMKGT-UHFFFAOYSA-N 304.306 1.295 5 40 DDBB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])s1 5828612 JPBWYJNCYGGSKF-JTQLQIEISA-N 311.319 1.847 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(O)CC1 26227996 GSBXZWDXROBYHF-UHFFFAOYSA-N 307.350 1.689 5 40 DDBB Cc1cc(C(=O)NCCNc2cnccn2)ccc1[N+](=O)[O-] 40505014 WRSFAIVXRWDDTM-UHFFFAOYSA-N 301.306 1.535 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCC(C(N)=O)CC1 42180505 VRATYFGVIOFHIF-UHFFFAOYSA-N 321.333 1.006 5 40 DDBB O=[N+]([O-])c1cn[nH]c1N1CCN(Cc2ccc(F)cc2)CC1 22239094 FZUROSGPPMCZHH-UHFFFAOYSA-N 305.313 1.779 5 40 DDBB O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@](O)(C(F)(F)F)C1 77990746 CFETUFXGBPJGEQ-LLVKDONJSA-N 304.224 1.734 5 40 DDBB CCOC(=O)[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1Cl 95941789 LDEKAYOSUOTBFE-LBPRGKRZSA-N 302.714 1.974 5 40 DDBB O=C(NCCCNC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 12851530 BFQRZWFJVVAZGP-UHFFFAOYSA-N 317.301 1.738 5 40 DDBB Cn1ncc2c(NCCNc3ccccc3[N+](=O)[O-])ncnc21 12486438 DTRJEAYCOMWBEF-UHFFFAOYSA-N 313.321 1.796 5 40 DDBB CCOC(=O)COc1c(OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4416142 GPLKIEMJYYDBQN-UHFFFAOYSA-N 300.223 1.454 5 40 DDBB COc1cc([C@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc(OC)c1OC 238059 SZSVIAXFXKZOAJ-LLVKDONJSA-N 323.305 1.575 5 40 DDBB O=[N+]([O-])c1cc2c(c(C[N+]34CCN(CC3)CC4)c1)OCOC2 3336337 HNBJMHBOFONIQK-UHFFFAOYSA-N 306.342 1.107 5 40 DDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccco1 3447314 RZIITHKDWGZQPI-UHFFFAOYSA-N 317.301 1.624 5 40 DDBB CCc1ccsc1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 89289603 HUXRXURIYWJRSH-UHFFFAOYSA-N 323.378 1.915 5 40 DDBB CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])c(C)cc2=O)cc1 89568493 DNBSYHYOOSEROV-UHFFFAOYSA-N 301.302 1.473 5 40 DDBB CC1CCN(c2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])CC1 4971312 AWTWYKUBGFPDED-UHFFFAOYSA-N 303.322 1.650 5 40 DDBB CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OC)n1 2796486 VYTFFHMKTUFRBV-UHFFFAOYSA-N 318.289 1.850 5 40 DDBB C[C@H](OC(=O)C1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 24935814 KLXYFKQMZBGUQE-JTQLQIEISA-N 322.317 1.892 5 40 DDBB Cc1nc([N+](=O)[O-])c(N2CCN(c3ccccc3)CC2)n1C 58406588 KPXBDANIIDIRRD-UHFFFAOYSA-N 301.350 1.963 5 40 DDBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCO1 3442554 RUXPAAUZRGNUKO-SNVBAGLBSA-N 314.725 1.922 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1 6397563 CNKKPRAAYPZGRJ-UHFFFAOYSA-N 310.358 1.770 5 40 DDBB COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1nccn1C 78556390 HBNOAJZBNXMDBZ-UHFFFAOYSA-N 311.319 1.311 5 40 DDBB O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2NCc1ccco1 95481788 AZXNKSXGJRKCLX-UHFFFAOYSA-N 307.287 1.427 5 40 DDBB O=C(CSC1=NCCS1)Nc1ncc([N+](=O)[O-])s1 4174330 XCLDANGGSHUEHY-UHFFFAOYSA-N 304.378 1.826 5 40 DDBB CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 22510784 REFAJDSJWIUTIV-OAHLLOKOSA-N 321.377 1.681 5 40 DDBB CCCC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl 72296101 AORRXEYRFHLZLV-UHFFFAOYSA-N 321.742 1.435 5 40 DDBB O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)Cc1ccccc1 70957274 NBGIPRMYVZNMKL-INIZCTEOSA-N 314.341 1.857 5 40 DDBB CCCn1[nH]cc/c1=N\C(=O)COc1c(F)cccc1[N+](=O)[O-] 185047033 IWKRCSMHIWRSJV-SFQUDFHCSA-N 322.296 1.780 5 40 DDBB Cn1cccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 95449380 VZYJYTBBDLFYJN-UHFFFAOYSA-N 312.289 1.971 5 40 DDBB N#CN(Cc1nnnn1C1CC1)c1ccc(F)c([N+](=O)[O-])c1 95425988 CYCXIDZZAAOPRF-UHFFFAOYSA-N 303.257 1.543 5 40 DDBB Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 10327492 TUYUALGDRLCSAV-JTQLQIEISA-N 307.306 1.137 5 40 DDBB O=C(COC(=O)c1ccccn1)Nc1cc([N+](=O)[O-])ccc1F 3507620 JOXZDNGFGIQUKM-UHFFFAOYSA-N 319.248 1.924 5 40 DDBB CCN(CC)c1nc(C(N)=O)c([N+](=O)[O-])c(N(CC)CC)n1 4896104 MDQMLWHKVCIYLL-UHFFFAOYSA-N 310.358 1.176 5 40 DDBB CCC1=C([N+](=O)[O-])[C@H](c2cc(OC)ccc2OC)NC(=O)N1 4065700 FCCRMBLINKXETC-LBPRGKRZSA-N 307.306 1.956 5 40 DDBB Cc1ccc(Nc2nc(NCCO)nc(N)c2[N+](=O)[O-])cc1 4305889 NMAPJVUCHNOSGJ-UHFFFAOYSA-N 304.310 1.423 5 40 DDBB CN1CCN(CC2CN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 521398537 MUEQNHSOKHWMHN-UHFFFAOYSA-N 308.357 1.418 5 40 DDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 5100007 LPJNBUUGOGAAKR-RNJOBUHISA-N 316.269 1.046 5 40 DDBB C[C@@H]1CCCC[C@H]1OCCNC(=O)Cn1cc([N+](=O)[O-])cn1 47002498 WVDFOBSNLXXELG-DGCLKSJQSA-N 310.354 1.503 5 40 DDBB COC(=O)[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)CN1 19735866 WTQAJTXGFCGIAG-SCZZXKLOSA-N 300.698 1.531 5 40 DDBB O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)NCc1cccnc1 84425067 DXASRQLSEOIMKM-UHFFFAOYSA-N 312.329 1.622 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@](C)(O3)[C@@H]2C1=O 408726410 BKSLNMHPDQPLGV-LMOYCYGVSA-N 314.297 1.736 5 40 DDBB C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 142543310 HOTHFYFSLVLRHY-UUIJZJDISA-N 300.270 1.428 5 40 DDBB CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 13670901 YUDUTWSCOUELCR-ZYHUDNBSSA-N 314.363 1.519 5 40 DDBB O=c1[nH]c(/C=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c(=O)[nH]1 13124261 VFQZTECEWXARRE-SNAWJCMRSA-N 304.218 1.050 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](C)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 100172038 DWBRKRTWHDOAPE-QCQGSNGOSA-N 314.297 1.736 5 40 DDBB CC[N+](C)(CC)C[C@@H](O)COC[C@@H]1COc2ccccc2O1 2692838 SZEZZCJEWYJFKE-HUUCEWRRSA-N 310.414 1.690 5 40 DDBB Cn1cc(N2CCC[C@H](Nc3ncccc3[N+](=O)[O-])C2)cn1 78368132 GCXAPXRFMZIDHM-NSHDSACASA-N 302.338 1.804 5 40 DDBB CNC(=O)[C@@H]1CCCN(c2sc(C(C)=O)cc2[N+](=O)[O-])C1 95997122 HDECPTTWJWCGKL-SECBINFHSA-N 311.363 1.821 5 40 DDBB CCO[C@H](C)c1noc(CNc2c([N+](=O)[O-])c(C)nn2C)n1 96429778 GJJKLNZSXHRYLZ-MRVPVSSYSA-N 310.314 1.729 5 40 DDBB O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@](O)(C(F)(F)F)C1 71921214 RQPLMWOBCCYNQP-LLVKDONJSA-N 322.214 1.873 5 40 DDBB O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N1CCCCC1 28004484 FTHKFZDNBJCURT-UHFFFAOYSA-N 305.290 1.515 5 40 DDBB Cc1nn(C)c(Sc2nnc(CN3CCCC3)o2)c1[N+](=O)[O-] 95959764 HORKXQMOUDFJGT-UHFFFAOYSA-N 324.366 1.767 5 40 DDBB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 44917258 VYSUCQHQYSXYDC-NSHDSACASA-N 317.349 1.676 5 40 DDBB Cn1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1=O 58149917 VGLVRUMBFDHAFH-UHFFFAOYSA-N 316.317 1.734 5 40 DDBB CCNC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 71892856 SDFQZFPYVZBCOF-UHFFFAOYSA-N 306.366 1.750 5 40 DDBB NC(=O)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F 69871694 NPMIZZQBBUCVCT-SECBINFHSA-N 309.297 1.604 5 40 DDBB Cc1ccc2c([N+](=O)[O-])ccc(N3CCN(C=O)CC3)c2n1 28580507 YGXFNIAWSCJZRU-UHFFFAOYSA-N 300.318 1.730 5 40 DDBB CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 4504701 GMFDHWGPYMDROE-GFCCVEGCSA-N 312.347 1.244 5 40 DDBB CN(CC(F)F)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 97081295 IZRCESPYCZKNQM-LLVKDONJSA-N 313.260 1.811 5 40 DDBB O=[N+]([O-])c1ccc(N2CCN(CCCc3cn[nH]c3)CC2)nc1 72597574 DCSQMCVZIJQKIL-UHFFFAOYSA-N 316.365 1.468 5 40 DDBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)c1 4193560 QMABFLJXPVOIRB-CYBMUJFWSA-N 305.315 1.997 5 40 DDBB Cc1ccc(NC(=O)C[C@@H]2SCCNC2=O)cc1[N+](=O)[O-] 2359816 DBTJMKVLNTUMQK-NSHDSACASA-N 309.347 1.463 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1SC(=N)NC1=O 18283599 WHIHWUQALHFZGL-VIFPVBQESA-N 308.319 1.398 5 40 DDBB Cc1cc(N2CCC[C@@H](N3CCNC3=O)C2)ccc1[N+](=O)[O-] 78726136 QGKHUSUMKIBZRS-CYBMUJFWSA-N 304.350 1.897 5 40 DDBB COCCN1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1=O 97052000 IHLZDTKLTUGYIT-UHFFFAOYSA-N 307.350 1.194 5 40 DDBB O=[N+]([O-])c1ncn(C[C@H](O)c2cccc(Br)c2)n1 89774394 PEPGCGCFVUEWHD-VIFPVBQESA-N 313.111 1.682 5 40 DDBB C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 11444907 YPSHSSJCQRMQAV-VIFPVBQESA-N 322.273 1.353 5 40 DDBB CCN1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 69595418 TYJDZQGAGGRXTO-GQCTYLIASA-N 307.325 1.911 5 40 DDBB O=c1c2cc([N+](=O)[O-])ccc2oc2nc3n(c(=O)c12)CCS3 528397 YCLOZAPBNIBINK-UHFFFAOYSA-N 317.282 1.517 5 40 DDBB Cc1c(NC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)cnn1C 2730707 RDXDDIOVMKHHIL-UHFFFAOYSA-N 312.717 1.515 5 40 DDBB O=C(NC[C@@H]1CCCO1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 72329426 XWBQRAAPGADVOE-LBPRGKRZSA-N 316.317 1.894 5 40 DDBB O=[N+]([O-])c1cccc([S@](=O)(=S)NCc2ccccn2)c1 38830334 XDPCGYHVHWPBRT-FQEVSTJZSA-N 309.372 1.800 5 40 DDBB O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H]1CCC[C@H]1n1cccn1 77942741 JIHQFFKDOAZXHV-CHWSQXEVSA-N 319.321 1.715 5 40 DDBB Cc1cc2ncn(C[C@@H](O)Cn3cnc([N+](=O)[O-])c3)c2cc1C 76481601 YQTSFLDYOOEIEE-LBPRGKRZSA-N 315.333 1.819 5 40 DDBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccco1 5858565 YTXLZCXTWHWJSY-UHFFFAOYSA-N 320.257 1.992 5 40 DDBB O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1cccnc1Cl 215151 TXGNTHPCOLFRJZ-UHFFFAOYSA-N 310.701 1.654 5 40 DDBB C[C@H]1CCc2onc(C(=O)NCCn3cc([N+](=O)[O-])cn3)c2C1 2727612 PREJNIVNFOMVFI-VIFPVBQESA-N 319.321 1.334 5 40 DDBB Cc1nonc1O[C@H](C)CNCCNc1ccc([N+](=O)[O-])cc1 4168260 YABNBMMQOMXIHB-SNVBAGLBSA-N 321.337 1.755 5 40 DDBB COC(=O)C(C)(C)N(C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 65487814 MWJUZZDVTMPENW-UHFFFAOYSA-N 310.306 1.627 5 40 DDBB CCN1C[C@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)CC1=O 69895390 PVFKKKBBSVEPRV-ZYHUDNBSSA-N 317.345 1.741 5 40 DDBB COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(NCCO)n2)c1 9287017 KSIKPYQVKWDICX-UHFFFAOYSA-N 320.309 1.123 5 40 DDBB NC(=O)[C@H]1COCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 95997012 IJRPOUWWQZGJIP-SNVBAGLBSA-N 319.239 1.304 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 78556522 VCOLOSIQHYBBQF-VXGBXAGGSA-N 319.321 1.180 5 40 DDBB CCn1cc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)cn1 2761648 UPLOXDBIVHQZGQ-UHFFFAOYSA-N 318.333 1.849 5 40 DDBB Nc1nc(NCCO)nc(Nc2ccccc2F)c1[N+](=O)[O-] 5068124 UQFZVQATWDURMB-UHFFFAOYSA-N 308.273 1.254 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1 4306139 HBDMWMCLAFRIQG-UHFFFAOYSA-N 308.298 1.230 5 40 DDBB COC(=O)[C@@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 9116982 DILATLQRNZCYRJ-MRVPVSSYSA-N 307.306 1.460 5 40 DDBB COC(=O)Cn1/c(=N/C(C)=O)sc2cc([N+](=O)[O-])ccc21 4191549 VKRNCQPRZANXLN-SEYXRHQNSA-N 309.303 1.231 5 40 DDBB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CS2 23243630 USJKCWFATYEHOX-FZMZJTMJSA-N 321.358 1.987 5 40 DDBB CCC(=O)NCCc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12 3863642 CDBZOOYNDLLUQC-UHFFFAOYSA-N 305.290 1.843 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN[C@@H](C)C1 4182274 ZOTZMGRKMPFYBV-QMMMGPOBSA-N 324.293 1.088 5 40 DDBB COc1ccc(CN(C)CCN2CCOC2=O)cc1[N+](=O)[O-] 69518824 WATKLXRFWFHSHD-UHFFFAOYSA-N 309.322 1.487 5 40 DDBB O=C(c1cc2cccc([N+](=O)[O-])c2oc1=O)N1CCOCC1 41277 UCRXKQPSBWIFDW-UHFFFAOYSA-N 304.258 1.174 5 40 DDBB Cc1cc(C(=O)NCC(=O)N[C@@H](C)C2CCC2)ccc1[N+](=O)[O-] 97370241 YLCITIZBMFFMDG-NSHDSACASA-N 319.361 1.938 5 40 DDBB CS(=O)(=O)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 2711826 CAZWBTUKTOMXOD-UHFFFAOYSA-N 315.376 1.459 5 40 DDBB O=c1[nH]cnc2nc(SCc3cccc([N+](=O)[O-])c3)[nH]c12 8627623 NHVGMBZSNYMQSN-UHFFFAOYSA-N 303.303 1.847 5 40 DDBB CCn1nccc1CN(C)C(=O)CCn1ncc([N+](=O)[O-])c1C 2793352 PXMZQQVMFZNNJX-UHFFFAOYSA-N 320.353 1.365 5 40 DDBB COc1ccc([N+](=O)[O-])cc1CN1CCC2(CC1)OCCO2 26933731 DFCBTNNSOWQKKL-UHFFFAOYSA-N 308.334 1.942 5 40 DDBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NCCO)n2)cc1 9358478 MZZHJYYTODDKDF-UHFFFAOYSA-N 304.310 1.423 5 40 DDBB COC[C@H](O)CN(C)c1cc(C)nc2ccc([N+](=O)[O-])cc12 97083812 IPLJEUAQLLWNTO-GFCCVEGCSA-N 305.334 1.895 5 40 DDBB CCOC(=O)[C@H](C)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 79111650 JUCYLSZUTZWBPY-QMMMGPOBSA-N 309.326 1.347 5 40 DDBB COCCN(CCOC)C(=S)Nc1ccc([N+](=O)[O-])cc1 16217135 QSBMCKTUGNOYGH-UHFFFAOYSA-N 313.379 1.886 5 40 DDBB CON(C)c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] 7979086 QZKGUKQNQMKEKT-UHFFFAOYSA-N 317.367 1.669 5 40 DDBB O=[N+]([O-])c1ccc(-n2nnnc2CNCc2ccccc2)cc1 4129634 YMOUZVHRGYODEP-UHFFFAOYSA-N 310.317 1.860 5 40 DDBB COCCNC(=O)CN(C)c1ccc([N+](=O)[O-])c2cccnc12 12537858 PWZMFJIFPFFMPN-UHFFFAOYSA-N 318.333 1.342 5 40 DDBB Cc1cc(C(=O)N(C)CC(=O)N2CCCC2)ccc1[N+](=O)[O-] 24401515 RRNAPVBECUWWLO-UHFFFAOYSA-N 305.334 1.598 5 40 DDBB CC(C)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 69456167 GUZIHLDVWRYPCF-GFCCVEGCSA-N 320.393 1.873 5 40 DDBB O=C(NCC(F)(F)F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 96005547 VGKPACGYDVXFCC-SNVBAGLBSA-N 317.223 1.766 5 40 DDBB Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2cn[nH]c2)C1 97050511 JOVQEDZHKVSXFU-JTQLQIEISA-N 315.333 1.920 5 40 DDBB O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1csc(=O)[nH]1 97140852 PAMSEXHXGMCEBU-UHFFFAOYSA-N 311.294 1.343 5 40 DDBB O=C(CSc1nccc(=O)[nH]1)Nc1cccc([N+](=O)[O-])c1 10059904 KZTYCZNHXYEJBD-UHFFFAOYSA-N 306.303 1.409 5 40 DDBB CN1CCO[C@@]2(CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 96268609 SWIMXTVHMVYXKE-INIZCTEOSA-N 319.361 1.532 5 40 DDBB Cc1cc(C(=O)N(C)C2(C(N)=O)CCCC2)cc([N+](=O)[O-])c1 97233094 AEGQEPBDSDNCCX-UHFFFAOYSA-N 305.334 1.773 5 40 DDBB C[N+]1([C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)CCCCC1 6565142 KNYSSDLUZNPUIE-GJZGRUSLSA-N 301.476 1.268 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCO[C@H](C)C1 54192331 PBMARUHSVXJXAX-SNVBAGLBSA-N 309.322 1.263 5 40 DDBB O=C(Cn1ccc([N+](=O)[O-])n1)NCCc1nc2ccccc2[nH]1 1432159 WBAMNIRAXCRGQS-UHFFFAOYSA-N 314.305 1.027 5 40 DDBB CCn1nnc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)n1 558336 URPNTRJEYKVHCQ-GQCTYLIASA-N 322.712 1.907 5 40 DDBB CC1CCN(c2ccc(C(=O)OCC(N)=O)cc2[N+](=O)[O-])CC1 10210146 ZDSWZUHGRFFMAR-UHFFFAOYSA-N 321.333 1.473 5 40 DDBB COC(=O)N1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 58280910 KESMCRZKMLKNNA-UHFFFAOYSA-N 322.321 1.901 5 40 DDBB Cn1cnc([N+](=O)[O-])c1SC[C@H](O)CN1CCCCC1 2334186 JRHSFEMHVXWJQQ-SNVBAGLBSA-N 300.384 1.267 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(C)O1 408726419 BKSLNMHPDQPLGV-OQMKEHIESA-N 314.297 1.736 5 40 DDBB O=C(NC[C@H](O)CN1CCCC1)Nc1ccccc1[N+](=O)[O-] 40554347 WIRNPWJIASNJHP-NSHDSACASA-N 308.338 1.173 5 40 DDBB Nc1cc(=O)[nH]c(SCC(=O)c2cccc([N+](=O)[O-])c2)n1 16399772 VDFGNIIEDSZZAR-UHFFFAOYSA-N 306.303 1.235 5 40 DDBB COc1ccc(NC(=O)N2CCCN(C)CC2)c([N+](=O)[O-])c1 32895370 XQDRWBZGBNYQLL-UHFFFAOYSA-N 308.338 1.773 5 40 DDBB COC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] 24723688 GVZFMKUBQVOUIY-GFCCVEGCSA-N 308.334 1.841 5 40 DDBB COc1ccc2c(=O)n3nc(N4CCOCC4)ccc3nc2c1 5514529 DDYKNXDIUSIBIZ-UHFFFAOYSA-N 312.329 1.088 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 23425957 QBHIKBMAJQCAMD-QWRGUYRKSA-N 323.349 1.651 5 40 DDBB C[C@@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)C1 5137705 JTXNMEKUNHASBL-SNVBAGLBSA-N 306.370 1.804 5 40 DDBB CNc1nc(N)c([N+](=O)[O-])c(Nc2cc(OC)ccc2OC)n1 4306267 ZPXDPWPAKOGDQY-UHFFFAOYSA-N 320.309 1.770 5 40 DDBB O=c1n(-c2ccccc2)nc(O)n1Cc1cccc([N+](=O)[O-])c1 7652746 LIFXZWQYFIYKAT-UHFFFAOYSA-N 312.285 1.696 5 40 DDBB CNC(=O)c1ccc(N(C)[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 72296177 KWMRUNXJMQHEHC-LBPRGKRZSA-N 306.366 1.485 5 40 DDBB CN(C)c1cc(C(F)(F)F)nc(-n2cc([N+](=O)[O-])cn2)n1 79054694 WWKWZCSCLOLNOA-UHFFFAOYSA-N 302.216 1.655 5 40 DDBB C[N@@+]1([O-])[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 254043040 HGWPFSBHDACWNL-VNIVASGNSA-N 305.374 1.944 5 40 DDBB in-man CN1CC2(Cc3cc([N+](=O)[O-])ccc31)C(=O)OC(C)(C)OC2=O 4622654 AGIMRDMQFFHXKI-UHFFFAOYSA-N 320.301 1.410 5 40 DDBB COc1ccc([N+](=O)[O-])c(N2CC[C@H](Cc3cnn(C)c3)C2)n1 80230113 VQMTUUNYEMEMPY-LLVKDONJSA-N 317.349 1.801 5 40 DDBB C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)n1cc([N+](=O)[O-])cn1 97047991 JNIWXRQRMJNCRT-GWCFXTLKSA-N 316.317 1.992 5 40 DDBB CN1CCN(C[C@@H]2CN(c3ccccc3[N+](=O)[O-])CCO2)CC1 95351534 GTBLNUSVJKGJLP-CQSZACIVSA-N 320.393 1.047 5 40 DDBB Cc1ccc([N+](=O)[O-])c(N[C@H](CC(N)=O)C2CCOCC2)c1 95975477 LKTDUVQYRCWEAE-GFCCVEGCSA-N 307.350 1.986 5 40 DDBB O=[N+]([O-])c1cccnc1NCc1ccnc(N2CCOCC2)c1 26717297 LRFNYNMKULUAFW-UHFFFAOYSA-N 315.333 1.834 5 40 DDBB Cc1nc2n(n1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 9356633 XJPWFDMXVSPXNI-JTQLQIEISA-N 316.277 1.017 5 40 DDBB CNc1ccc(CN2CC[C@@](F)(C(=O)OC)C2)cc1[N+](=O)[O-] 93887645 DLHBNENJGGSSGY-AWEZNQCLSA-N 311.313 1.724 5 40 DDBB CCN(CC)c1nc(N)c([N+](=O)[O-])c(NC[C@@H]2CCCO2)n1 5176948 CKXDSDMTLIKBOL-VIFPVBQESA-N 310.358 1.404 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCCC2)cc1 13668753 XQZYADNCJGELOQ-UHFFFAOYSA-N 313.379 1.359 5 40 DDBB CC(C)OCCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 6049739 LSZWWKDPWPDSIJ-UHFFFAOYSA-N 309.322 1.465 5 40 DDBB Cc1nn2c(SCC(=O)O)nc3ccccc3c2nc1=O 32934919 SGLPRYZKAOKAIE-UHFFFAOYSA-N 302.315 1.123 5 40 DDBB O=C(COC(=O)c1ccccn1)Nc1cccc([N+](=O)[O-])c1 3271066 RXHFIEPTMWVQKV-UHFFFAOYSA-N 301.258 1.785 5 40 DDBB CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCN(CC)CC2)n1 4305987 PEKLNJBSTQUIBP-SNVBAGLBSA-N 323.401 1.319 5 40 DDBB O=C(O)c1ccc2c(c1)C(=O)N(c1cc([N+](=O)[O-])ccn1)C2=O 4981523 PQFLZHBAMOAUCK-UHFFFAOYSA-N 313.225 1.489 5 40 DDBB Cc1nc2c(c(=O)[nH]1)[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 8995167 QLARMJQWEQXUKR-JTQLQIEISA-N 300.274 1.461 5 40 DDBB CN1CCCC[C@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 69627360 LPRPRHCCVFIJEA-AWEZNQCLSA-N 319.409 1.596 5 40 DDBB CCCc1[nH]nc(C(=O)NCCc2cscn2)c1[N+](=O)[O-] 77005462 NCVLCAMUNMLDBO-UHFFFAOYSA-N 309.351 1.699 5 40 DDBB Nc1nc(N2CCOC[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] 96453878 CZQIPJIALILUBI-GFCCVEGCSA-N 301.306 1.545 5 40 DDBB CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 350075442 KFTZXHNFHGMOHS-AWEZNQCLSA-N 312.391 1.994 5 40 DDBB CN(C)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1(C)C 585142395 WATQHRGJQWPYNU-WDEREUQCSA-N 307.354 1.229 5 40 DDBB C[C@@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC[C@H]1C 102432449 MPQYKYFTJHPPKZ-MDZLAQPJSA-N 307.350 1.697 5 40 DDBB C[N+]1([O-])[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 100133242 HGWPFSBHDACWNL-FTRJEVOPSA-N 305.374 1.944 5 40 DDBB in-vitro N[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 63213049 SDAPRFSUHYCICA-CHWSQXEVSA-N 313.379 1.533 5 40 DDBB CCONC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 72081574 LGNOACGEFPPWHO-ZDUSSCGKSA-N 321.333 1.576 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C(=O)O)cnn1C 36615507 ZQVMPDQBXULKIW-UHFFFAOYSA-N 320.261 1.287 5 40 DDBB C[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 100025358 YPFUMAKGRZTFRY-YFCNSXCBSA-N 300.270 1.428 5 40 DDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCn2ncnc21 69560843 HXWHEMAIKWYRHI-UHFFFAOYSA-N 323.334 1.094 5 40 DDBB O=c1c([N+](=O)[O-])cccn1CCOc1cccc([N+](=O)[O-])c1 58356533 KEEPGMVDKQQXEH-UHFFFAOYSA-N 305.246 1.744 5 40 DDBB Cc1cccc(Nc2nc(NCC(=O)O)nc(N)c2[N+](=O)[O-])c1 4305921 XVTVGTXRERCWOU-UHFFFAOYSA-N 318.293 1.516 5 40 DDBB CN1CCC[C@@H](N(C)c2ncc([N+](=O)[O-])c(NC3CC3)n2)C1 76023494 UHIRDIRDYFHAPX-LLVKDONJSA-N 306.370 1.490 5 40 DDBB Cc1csc(COc2ccc([N+](=O)[O-])cc2-n2cnnn2)n1 96484679 FTYZFCZYXGVFTQ-UHFFFAOYSA-N 318.318 1.914 5 40 DDBB CCOc1ccccc1/C=C\c1nc(O)c([N+](=O)[O-])c(=O)[nH]1 13123903 WDNHXNDQENKAEF-FPLPWBNLSA-N 303.274 1.953 5 40 DDBB CN(C)C[C@H](O)Cn1cc(Nc2ccc(F)cc2[N+](=O)[O-])cn1 69779574 DEFOWGUEYMCSEX-LBPRGKRZSA-N 323.328 1.597 5 40 DDBB CN1C[C@@H](C(=O)N2CCCc3c2cccc3[N+](=O)[O-])CC1=O 95436666 DPTUEVMCSXBJQQ-JTQLQIEISA-N 303.318 1.352 5 40 DDBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)O)C1 71979370 JIMJZMQWVJVNRD-LLVKDONJSA-N 307.262 1.177 5 40 DDBB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 222236633 XGHKLCSMNZGIHH-NOOOWODRSA-N 322.248 1.327 5 40 DDBB COCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 69485819 HIOXHOCXVOYHQE-CQSZACIVSA-N 307.350 1.435 5 40 DDBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccco1 9140617 DCBQXJSBOFUDCI-UHFFFAOYSA-N 306.303 1.819 5 40 DDBB CNC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 44892043 UKLFECCUVXVUHC-UHFFFAOYSA-N 306.322 1.585 5 40 DDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NC1C[C@@H]2CC[C@H](C1)N2 40740938 OCGCSUPLYRXXDP-ZACCUICWSA-N 311.363 1.156 5 40 DDBB O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCc1ccncc1 69149191 JNOJJOIGPDVPCJ-UHFFFAOYSA-N 316.317 1.868 5 40 DDBB CCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc([N+](=O)[O-])c1O 35014 QPACWPZFGHPYJU-WRWORJQWSA-N 314.319 1.487 5 40 DDBB O=C(NN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 102538119 WOIBTRRUYMVJBO-VXGBXAGGSA-N 317.301 1.415 5 40 DDBB O=C(COc1ccccc1[N+](=O)[O-])NCCc1cccnc1 23874704 WZPKBFFKDNLARN-UHFFFAOYSA-N 301.302 1.728 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC[C@H]1C 58151001 IBEFCJGBGUOTNP-GFCCVEGCSA-N 307.350 1.953 5 40 DDBB Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(NCCO)n2)c1 5112115 SULPMJJSBUTHBD-UHFFFAOYSA-N 304.310 1.423 5 40 DDBB C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 33537697 HJJYEFNLTSOMAR-JHJVBQTASA-N 310.350 1.444 5 40 DDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 46033760 IEQXMTAEXXFSFV-GHMZBOCLSA-N 314.363 1.701 5 40 DDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 5091810 DBERPQOTGLWBFM-WAYYCVMKSA-N 314.297 1.915 5 40 DDBB COC(=O)c1cc(I)cc([N+](=O)[O-])c1 2565705 GHZUTMKPZFZYSP-UHFFFAOYSA-N 307.043 1.986 5 40 DDBB CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nnnn1C1CC1 48041136 XWTWIYCPGJHFCK-UHFFFAOYSA-N 302.338 1.938 5 40 DDBB CCOC(=O)c1cc(C(=O)OCC2(C)COC2)cc([N+](=O)[O-])c1 66522587 SETGMFMLWKFCKC-UHFFFAOYSA-N 323.301 1.965 5 40 DDBB O=c1[nH]c(O)nc(/C=C/c2ccc([N+](=O)[O-])s2)c1[N+](=O)[O-] 33601616 QLADZAQFWRUDFX-HNQUOIGGSA-N 310.247 1.524 5 40 DDBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 18043620 GDYKLRVZRPIDKJ-MPZDIEGVSA-N 300.270 1.346 5 40 DDBB Cn1ncc(C(=O)O)c1C(=O)Nc1cc([N+](=O)[O-])ccc1F 20615087 QYNPPEICLFDOJO-UHFFFAOYSA-N 308.225 1.418 5 40 DDBB NC(=O)OCCSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 4890843 YDJUIXUUQDSQCC-UHFFFAOYSA-N 310.291 1.832 5 40 DDBB COC(=O)C1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 29165235 SQKJLDDUZXLPLT-UHFFFAOYSA-N 304.306 1.632 5 40 DDBB CNC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2C)c1 58182006 SHXYAWIXXICPNZ-UHFFFAOYSA-N 301.302 1.473 5 40 DDBB Cn1c(=O)c([N+](=O)[O-])c(N2CCSCC2)c2ccccc21 5576955 HVLRYMVQJYQOQO-UHFFFAOYSA-N 305.359 2.000 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1C[C@@H]1C 6641741 JUXJDAGQBDFDSO-WCBMZHEXSA-N 308.290 1.741 5 40 DDBB O=C(N[C@H]1CCCCNC1=O)c1cc(F)c([N+](=O)[O-])cc1F 97058050 XSYYCSYBWNVDOZ-JTQLQIEISA-N 313.260 1.272 5 40 DDBB CCc1nc(CNc2cc([N+](=O)[O-])ccc2NCCO)no1 95409856 BZIKIIBTECHJHT-UHFFFAOYSA-N 307.310 1.557 5 40 DDBB CNC(=O)[C@@H]1CCC[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] 420611399 NHVOPAVHKTXLDT-PSASIEDQSA-N 306.322 1.020 5 40 DDBB COCCc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 95116131 XQLWBERKMQXUER-UHFFFAOYSA-N 308.319 1.888 5 40 DDBB CCN(C[C@H]1CCCO1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] 58438083 IRISVBPZTQXNPU-LLVKDONJSA-N 318.333 1.608 5 40 DDBB Cc1nn(C)cc1[C@H](C)NC(=O)c1nn(C)c(C)c1[N+](=O)[O-] 2781380 GOTWNPDIFAOGSQ-ZETCQYMHSA-N 306.326 1.170 5 40 DDBB C[C@H](O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 4381584 JNJKESDXZNNJBX-QMMMGPOBSA-N 300.270 1.725 5 40 DDBB C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NC1CC1 32724207 BZASCVIFQVTWRO-SSDOTTSWSA-N 322.273 1.147 5 40 DDBB C=CC(=O)N[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 486316 INRINYQOYWOUJH-MRXNPFEDSA-O 305.354 1.357 5 40 DDBB biogenic O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)C2CC2)CC1 12944610 BRGUTAABWHYSMY-UHFFFAOYSA-N 309.347 1.351 5 40 DDBB CCOCCOC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 8402349 YRPXBKPFJFJJDR-UHFFFAOYSA-N 310.306 1.294 5 40 DDBB CC(C)(CNc1ccc([N+](=O)[O-])cn1)N1CCS(=O)CC1 72293284 OSQIJUGAZXEWNL-UHFFFAOYSA-N 312.395 1.245 5 40 DDBB CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)CO 72290415 JUBUBTRECRYMBM-UHFFFAOYSA-N 306.322 1.848 5 40 DDBB Cc1nc(NC[C@@H]2CCCO2)nc(N2CCOCC2)c1[N+](=O)[O-] 49025934 AZZYISXSKXDPAD-NSHDSACASA-N 323.353 1.121 5 40 DDBB Cc1ccc([N+](=O)[O-])c(NC(=O)CNC(=O)NC2CC2)c1C 13018880 BPCHOVNTNFQISE-UHFFFAOYSA-N 306.322 1.612 5 40 DDBB CC(C)OCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 6563994 FVKAGMUMYARYTD-UHFFFAOYSA-N 302.352 1.688 5 40 DDBB COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cn1cccn1 24806692 VSRVSFDJDZKOHI-JTQLQIEISA-N 304.306 1.618 5 40 DDBB CCN(Cc1ccccc1[N+](=O)[O-])Cc1nnnn1C1CC1 97679538 DIGYUEUDGHRUSH-UHFFFAOYSA-N 302.338 1.938 5 40 DDBB CCc1nnc(SCCn2cc([N+](=O)[O-])ccc2=O)n1C 95446255 LYJWULYSOYBDMR-UHFFFAOYSA-N 309.351 1.240 5 40 DDBB COc1ccc(-c2nnc3c4ccccc4[nH]c(=O)n3c2=O)cc1 12810395 JNUFFLGMMFFNOB-UHFFFAOYSA-N 320.308 1.607 5 40 DDBB COc1cc([C@H]2N[C@H](C(=O)O)CS2)cc([N+](=O)[O-])c1O 70086 HWYBYFLJBWEJRU-WKEGUHRASA-N 300.292 1.097 5 40 DDBB CCn1nccc1[C@H](C)NC(=O)CCn1ncc([N+](=O)[O-])c1C 2805171 ACIUEFNKLXLMDA-JTQLQIEISA-N 320.353 1.584 5 40 DDBB Cc1nc(CCNc2ncc([N+](=O)[O-])c(NC3CC3)n2)n[nH]1 89497122 HJVUKHXDDLVDCW-UHFFFAOYSA-N 304.314 1.040 5 40 DDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(C)c2)c1F 75109840 NCHHSUHOLQZREG-UHFFFAOYSA-N 314.298 1.577 5 40 DDBB C[C@@H]1[C@H](OC[C@H](O)C[N+]2(C)CCOCC2)[C@H]2CC[C@H]1C2(C)C 245240435 RYESREMBPRLDBC-UTSKFRMZSA-N 312.474 1.911 5 40 DDBB COC(=O)C1=C(NC(=O)c2ccc([N+](=O)[O-])cc2)CCS1 4072227 RSWOUJOHKQUORV-UHFFFAOYSA-N 308.315 1.846 5 40 DDBB Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 2741406 DUYKTIOTJJUKMC-UHFFFAOYSA-N 309.213 1.628 5 40 DDBB Cn1cnnc1Sc1cc(N2CCNCC2)ccc1[N+](=O)[O-] 4688287 QFBLRHDHQCQSJX-UHFFFAOYSA-N 320.378 1.284 5 40 DDBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC(=O)N1 72283685 OZCLURFWYQNUFH-UWVGGRQHSA-N 323.374 1.470 5 40 DDBB COc1cc(C(=O)/N=c2\sccn2C)c([N+](=O)[O-])cc1OC 102525579 MFIGWJBJBYRGJO-YPKPFQOOSA-N 323.330 1.753 5 40 DDBB O=[N+]([O-])c1cnn(CCc2nc3c4ccccc4ncn3n2)c1 2730983 YPGKDVAOSXBZLA-UHFFFAOYSA-N 309.289 1.625 5 40 DDBB CC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408733593 LJAXIYCFNOSJAE-IATRGZMQSA-N 314.297 1.818 5 40 DDBB C[N@+]1([O-])[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 254042528 HGWPFSBHDACWNL-QXUSFIETSA-N 305.374 1.944 5 40 DDBB in-man O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCNc1cnccn1 56486280 CEQFIGNFVMOLNZ-AATRIKPKSA-N 313.317 1.626 5 40 DDBB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 3864745 AVATZSJXFSPYLU-SECBINFHSA-N 314.319 1.080 5 40 DDBB NC(=O)Cn1nc([N+](=O)[O-])nc1Oc1cccc2cccnc12 4722264 NPPQJUPZGPURJE-UHFFFAOYSA-N 314.261 1.012 5 40 DDBB C[C@@H](NC[C@](C)(O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 95968509 IBHQSIZREZGRMY-CJNGLKHVSA-N 323.393 1.329 5 40 DDBB C[C@H]1CCC[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 76021980 AIVOCLSPBKUING-RYUDHWBXSA-N 307.350 1.794 5 40 DDBB CN(CCNc1ncc([N+](=O)[O-])c(N)n1)Cc1ccccc1 64916272 RINITKFBVQCSOW-UHFFFAOYSA-N 302.338 1.511 5 40 DDBB CC(C)[C@@H](C)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 4563929 GLKMMQXZQIICQF-SNVBAGLBSA-N 318.333 1.465 5 40 DDBB Cc1nc2c(c(=O)[nH]1)[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 8995166 QLARMJQWEQXUKR-SNVBAGLBSA-N 300.274 1.461 5 40 DDBB O=C(NCc1ccn2ccnc2c1)c1ccc([N+](=O)[O-])c(O)c1 178095253 PEYLRSGMNHGDQX-UHFFFAOYSA-N 312.285 1.878 5 40 DDBB NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 79099428 QZWMXCBEQMQFOW-STQMWFEESA-N 305.334 1.759 5 40 DDBB Nc1nc(N[C@@H]2CCO[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] 75092192 MYMSLGNMVPPVGU-ZYHUDNBSSA-N 301.306 1.909 5 40 DDBB Cc1cc(S(=O)(=O)N2CCN(C)CC2)cc([N+](=O)[O-])c1C 35346894 ZGMWYLHURCRSEG-UHFFFAOYSA-N 313.379 1.148 5 40 DDBB COc1ccccc1CN(C)c1ncc([N+](=O)[O-])cc1C(N)=O 31577229 NGHFZOSYMGRJAQ-UHFFFAOYSA-N 316.317 1.734 5 40 DDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3[nH]2)C1 45054822 SEGITSOJPQRWPK-WDMOLILDSA-N 314.345 1.934 5 40 DDBB O=C(Cc1cccnc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 188502382 NWXXKSXWWWISBZ-UHFFFAOYSA-N 313.313 1.822 5 40 DDBB Cc1cc([N+](=O)[O-])cc2c1NC(=O)[C@@]2(O)N1CCC[C@H](C)C1 36058250 BQFKSLBLOMEADE-BJOHPYRUSA-N 305.334 1.732 5 40 DDBB COc1cc(OC)nc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)n1 408712849 WUOKZIQAZBQONS-UHFFFAOYSA-N 320.261 1.844 5 40 DDBB CC(C)C[C@@](C)(NC(=O)COc1ccccc1[N+](=O)[O-])C(N)=O 69743174 IKNLTCXYANSDQP-OAHLLOKOSA-N 323.349 1.380 5 40 DDBB Cc1nc(NCCc2nnc3n2CCCC3)ccc1[N+](=O)[O-] 97108403 KKYNDSWVLVULNR-UHFFFAOYSA-N 302.338 1.881 5 40 DDBB Cc1cc([N+](=O)[O-])cnc1N1CCN(c2nccn2C)CC1 75052993 LVXVJAICDMPVNS-UHFFFAOYSA-N 302.338 1.358 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C)n1N 5993039 LAZXTXXIZUYLFY-UHFFFAOYSA-N 322.350 1.248 5 40 DDBB COc1ccc(CC(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc1 8684093 PIAVIMLTJUQQJD-UHFFFAOYSA-N 318.285 1.748 5 40 DDBB CN(C)C(=O)CSc1nnc(Cc2ccc([N+](=O)[O-])cc2)o1 1378682 QPKBHMQYFSQTFO-UHFFFAOYSA-N 322.346 1.749 5 40 DDBB Cc1cccc(C(=O)NC[C@@H](C)N2CCOC[C@@H]2C)c1[N+](=O)[O-] 69897010 LRUFIUVFTWMKNN-OLZOCXBDSA-N 321.377 1.742 5 40 DDBB CCCc1[nH]nc(C(=O)NC[C@@H](O)C2CCCCC2)c1[N+](=O)[O-] 71890760 GMHGXVCCONKWLM-GFCCVEGCSA-N 324.381 1.941 5 40 DDBB CCOCCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 72277759 XMKLKMCQDUWLMT-UHFFFAOYSA-N 322.365 1.781 5 40 DDBB C[C@H]1CN=C(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)S1 84715288 FRGAUQGIEIHKEA-JTQLQIEISA-N 307.379 1.603 5 40 DDBB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 35168739 JCMCKDMBSHKVHO-LBPRGKRZSA-N 321.289 1.491 5 40 DDBB COc1ccc(Cc2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1OC 96405296 ZTOPKNJUUAMGFO-NXEZZACHSA-N 305.290 1.810 5 40 DDBB CS(=O)(=O)c1ccc(N2CCCSCC2)c([N+](=O)[O-])c1 58407631 QQBYQJFJLHLXCY-UHFFFAOYSA-N 316.404 1.942 5 40 DDBB O=C(O)C[C@@H](Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 16385868 LNPCMTMXMLBMKC-MRVPVSSYSA-N 316.247 1.523 5 40 DDBB C[C@H]1SCC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 4292122 UITVFGHCPXOBRW-MRVPVSSYSA-N 323.330 1.024 5 40 DDBB CCCCN[C@H](CC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)O 7261755 UUGAWHCPGAFMMF-LLVKDONJSA-N 309.322 1.766 5 40 DDBB C[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])N1CCOCC1 33081275 RBQQQIBGBLVOKZ-KTRBRXNASA-N 319.361 1.445 5 40 DDBB CCn1cc([N+](=O)[O-])c(=O)c2cc(F)c(N3CCOCC3)cc21 1432394 YYRWZOQBBZSROK-UHFFFAOYSA-N 321.308 1.905 5 40 DDBB COc1cccc2c1oc(=O)c1c(=O)nc3n(c12)CCS3 3270882 MBECRICPBGWUQY-UHFFFAOYSA-N 302.311 1.617 5 40 DDBB O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2cccs2)no1 12764639 VKBTVRNIQYNSSB-UHFFFAOYSA-N 304.287 1.916 5 40 DDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nccs1 3549600 ZEIKNAPGVJPZDQ-UHFFFAOYSA-N 320.330 1.810 5 40 DDBB CCN1CCC(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 76041664 KACZUFWGJUOMND-UHFFFAOYSA-N 323.397 1.420 5 40 DDBB C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 1194353 WGQIDENZQJCDIA-UUIJZJDISA-N 300.270 1.428 5 40 DDBB C[S@](=O)c1nncn1-c1nc2ccc([N+](=O)[O-])cc2s1 95397117 NALZVVJDGIUFRQ-HXUWFJFHSA-N 309.332 1.523 5 40 DDBB C[C@H](CCN1CCCC1=O)NC(=O)Cc1cccc([N+](=O)[O-])c1 96425160 GVEUEYZSWMCTSS-GFCCVEGCSA-N 319.361 1.655 5 40 DDBB Nc1nc(N2CCOCC2)nc(NCc2ccco2)c1[N+](=O)[O-] 5156989 UQTASNYONZXDJO-UHFFFAOYSA-N 320.309 1.009 5 40 DDBB COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1O 15009267 CMQVRIGGZWFQOV-HWKANZROSA-N 305.246 1.268 5 40 DDBB Cc1cc([N+](=O)[O-])nn1C(=O)c1nn(C)cc1Br 76921 YWNGYFRGJXXCAI-UHFFFAOYSA-N 314.099 1.284 5 40 DDBB Cc1cc(NC(=O)CN2CCc3cc([N+](=O)[O-])ccc32)on1 43563213 KYHDAWGOTKQDLU-UHFFFAOYSA-N 302.290 1.892 5 40 DDBB O=[N+]([O-])c1cc2c(c(CN3CCC[C@@H](CO)C3)c1)OCOC2 49622723 PJPSZBAKDPCXQK-LLVKDONJSA-N 308.334 1.666 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]2CCCC[C@@H]21 7020423 NCIBQSZCPOFXLS-OCCSQVGLSA-N 319.361 1.938 5 40 DDBB CNc1ccc(CN2CC[C@](F)(C(=O)OC)C2)cc1[N+](=O)[O-] 93887644 DLHBNENJGGSSGY-CQSZACIVSA-N 311.313 1.724 5 40 DDBB O=c1ccc([N+](=O)[O-])cn1Cc1noc(-c2cccs2)n1 31672372 NQKHJOJUVKOKJC-UHFFFAOYSA-N 304.287 1.916 5 40 DDBB O=[N+]([O-])c1cn(C[C@@H](O)COCc2ccc3c(c2)OCO3)cn1 29259454 VGADZRNYXMNSMS-LLVKDONJSA-N 321.289 1.098 5 40 DDBB O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3ccc(Cl)cc32)c1 89807088 KESKALCDUGULSH-CYBMUJFWSA-N 322.752 1.868 5 40 DDBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC(=O)C1 23419876 VEMLLZQVXPMXKX-SECBINFHSA-N 309.347 1.034 5 40 DDBB CCCNC(=O)[C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 5244751 CDRAKZKSBOEREF-AEZGRPFRSA-N 305.334 1.639 5 40 DDBB NC(=O)Cc1csc(NC(=O)c2ccccc2[N+](=O)[O-])n1 14331103 OYCCQJLXJSYQEF-UHFFFAOYSA-N 306.303 1.331 5 40 DDBB CO[C@@]1(C)C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C 73267430 HTZYREMUUNSCIO-FZMZJTMJSA-N 310.354 1.501 5 40 DDBB O=C(CCNc1ncc(Cl)cc1[N+](=O)[O-])N1CCOCC1 135358740 VFWAIHOCZUMJNA-UHFFFAOYSA-N 314.729 1.304 5 40 DDBB CN(C)C(=O)CNc1c(F)cc([N+](=O)[O-])cc1Br 96453222 QHPXNZFCJHJNNW-UHFFFAOYSA-N 320.118 1.997 5 40 DDBB COc1cc(CCNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])ccc1C 96420882 ONRILKGNXJDPNS-UHFFFAOYSA-N 318.333 1.916 5 40 DDBB O=[N+]([O-])c1cccc(S(=O)(=O)n2nnc3ccccc32)c1 350331 AJHZEBCUZCDBLL-UHFFFAOYSA-N 304.287 1.577 5 40 DDBB CC(=O)[C@@H](C)OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 22139466 ZDPPXOSUXFWMRJ-LLVKDONJSA-N 322.317 1.566 5 40 DDBB C[C@@H]1C[C@@H](C)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 28199728 BJCBSTOQBDSRIV-VXGBXAGGSA-N 319.361 1.829 5 40 DDBB O=[N+]([O-])c1cc(CNCCCNc2ncccn2)ccc1O 83474430 ZOQHHAGCCMSBMR-UHFFFAOYSA-N 303.322 1.682 5 40 DDBB CCCCCC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 84742993 DYULYTNPXCNIOC-DZGCQCFKSA-N 310.350 1.686 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@H]3O2)c([N+](=O)[O-])c1 101103910 DWBRKRTWHDOAPE-BRXULGCHSA-N 314.297 1.736 5 40 DDBB C[C@@H]1CN(CCNC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 26225206 HWIIYHZVMLUTLH-VXGBXAGGSA-N 322.365 1.826 5 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5 40 DDBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)NC(C)(C)C 7206816 JQNUMRDCXWCXFE-QMMMGPOBSA-N 309.322 1.637 5 40 DDBB Cc1cc(O)c([C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c(=O)o1 38123 BPPXNXWFEJCLDO-SNVBAGLBSA-N 319.269 1.791 5 40 DDBB CCOC(=O)C1=C(C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 339984 JVSSBHTYSMQLHX-NSHDSACASA-N 305.290 1.786 5 40 DDBB Cc1nc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 97229141 ZINUKIPXZPBNPL-SSDOTTSWSA-N 312.307 1.326 5 40 DDBB CCc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)OC)n1N 70462408 WSWMFVROIAVGPQ-UHFFFAOYSA-N 323.334 1.400 5 40 DDBB O=[N+]([O-])c1ncn(Cc2nnc(-c3ccccc3Cl)o2)n1 71962876 DSISNFVGGCMWIC-UHFFFAOYSA-N 306.669 1.938 5 40 DDBB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 40114812 XSTUVDAWWKNVCV-FJOSAAFMSA-N 317.370 1.999 5 40 DDBB CCCNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 3371913 NHTHNUNWPIVZSU-UHFFFAOYSA-N 300.698 1.931 5 40 DDBB COc1ccc(C(=O)N(C)C[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] 89340257 WOXWUJYSSYAVNF-DGCLKSJQSA-N 308.334 1.836 5 40 DDBB O=c1[nH]c2ccc3c(=O)n(-c4ccccn4)c(=O)c4ccc1c2c34 11616137 WRYIZDGMBRYIOH-UHFFFAOYSA-N 315.288 1.616 5 40 DDBB Cc1cc(=O)[nH]c(SCC(=O)c2cccc([N+](=O)[O-])c2)n1 16283890 VHZNIIUNFHHVLC-UHFFFAOYSA-N 305.315 1.962 5 40 DDBB COc1ccc([N+](=O)[O-])cc1COC(=O)c1c(C)noc1N 16326726 OHROJZZIEXAJLH-UHFFFAOYSA-N 307.262 1.839 5 40 DDBB O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 1442227 PRIVOAVAFMUNKE-YPMHNXCESA-N 322.342 1.481 5 40 DDBB Cn1c(Oc2cccc([N+](=O)[O-])c2Cl)cc(=O)n(C)c1=O 480162 SZQVURNRGYOHAA-UHFFFAOYSA-N 311.681 1.438 5 40 DDBB O=C1CCCN1CCCNc1ccc([N+](=O)[O-])c2nonc12 33012196 MEORKWFNEXSKLU-UHFFFAOYSA-N 305.294 1.555 5 40 DDBB O=C([C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 20649569 RAXHUFOYCGQUQD-LBPRGKRZSA-N 320.349 1.065 5 40 DDBB CC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])CC1 34874265 LDARLXXGSSOSAC-UHFFFAOYSA-N 320.349 1.006 5 40 DDBB CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)NC(C)(C)C 48263933 ODUOKPRFUIASLT-VIFPVBQESA-N 322.365 1.670 5 40 DDBB O=c1nc(O)c([N+](=O)[O-])cn1Cc1cc(F)cc2cccnc12 75138409 SXAQZXDHAAQFFQ-UHFFFAOYSA-N 316.248 1.593 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCc1ccncc1 10327800 VOHJJLJSHHECQR-UHFFFAOYSA-N 314.301 1.553 5 40 DDBB O=C(NC[C@](O)(c1ccco1)C1CC1)c1ccc([N+](=O)[O-])o1 75154878 FDVYYWAWCYTLNW-CQSZACIVSA-N 306.274 1.808 5 40 DDBB Cc1ccccc1-n1c(=O)[nH]c2nc3ccccc3nc2c1=O 5753020 GGBKOFYJKDSBFL-UHFFFAOYSA-N 304.309 1.931 5 40 DDBB COc1cc(CN2CCC[C@@H]([C@H](C)N)C2)cc([N+](=O)[O-])c1O 97162648 QBSXFIDYHQASER-CMPLNLGQSA-N 309.366 1.868 5 40 DDBB O=[N+]([O-])c1ccc(N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 5390777 QRBWGKPOHPKJOD-ZETCQYMHSA-N 301.280 1.102 5 40 DDBB O=C(COC(=O)c1cccnc1)Nc1cccc([N+](=O)[O-])c1 6225144 DHZAEMOMGFTSKI-UHFFFAOYSA-N 301.258 1.785 5 40 DDBB COc1ncnc(N)c1CN1CCc2ccc([N+](=O)[O-])cc2C1 93338314 PASSMWNLLBXJSX-UHFFFAOYSA-N 315.333 1.534 5 40 DDBB COC(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCCO2)cc([N+](=O)[O-])c1 27914459 VTKYCZHXWOLSGY-NOZJJQNGSA-N 322.317 1.679 5 40 DDBB NS(=O)(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 71899622 KSUBAPWBNIGHTN-UHFFFAOYSA-N 317.342 1.239 5 40 DDBB Cc1cc([N+](=O)[O-])cnc1NCCC(=O)NCc1ccncc1 71888383 FQNIPIDSEXTCIR-UHFFFAOYSA-N 315.333 1.812 5 40 DDBB CCO[C@@H]1C[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C 96419327 ARFVLWKFXNYFHO-VHSXEESVSA-N 310.354 1.902 5 40 DDBB CCN1CCC(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 67233267 LYMDJQWHQFJJRU-UHFFFAOYSA-N 324.356 1.778 5 40 DDBB O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCC[C@H]2O)c1 6220859 PZQZVERLMAHZBH-NWDGAFQWSA-N 300.336 1.177 5 40 DDBB CN1CCN(C(=O)[C@H]2CCCN2c2ccccc2[N+](=O)[O-])CC1 71904125 VEPCVCNMNAPYAV-OAHLLOKOSA-N 318.377 1.338 5 40 DDBB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3[nH]2)C1 106097782 SEGITSOJPQRWPK-MISXGVKJSA-N 314.345 1.934 5 40 DDBB CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 95978571 BQNIGSVPEOJCBO-CQSZACIVSA-N 307.350 1.890 5 40 DDBB O=c1[nH]c(/C=C\c2ccccc2[N+](=O)[O-])nc(O)c1[N+](=O)[O-] 34887643 GVXGTVCMYBXCAX-WAYWQWQTSA-N 304.218 1.462 5 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DDBB Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2cccc(F)c2C1 97114405 NBUVJOOTTDZJCS-UHFFFAOYSA-N 316.292 1.910 5 40 DDBB CCN(CC)C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 95394076 GCPGJJOXJBLFBQ-UHFFFAOYSA-N 321.381 1.882 5 40 DDBB CCCN1C(=O)N/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O 409221415 PYLJFCFJOGOUPW-JXMROGBWSA-N 305.290 1.906 5 40 DDBB COc1ccc2c3c1O[C@@H]1[C@H](O)CC=C[C@@]31CC[N+](C)(C)C2 487786 DOUIWWHBJPGSBE-FSPWUOQZSA-N 302.394 1.995 5 40 DDBB O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1C[C@@H]1[N+](=O)[O-] 71911245 XCMJLJXOHPFWMK-DCAQKATOSA-N 319.144 1.808 5 40 DDBB COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 12768293 MUHAOMAJEREGOC-NSHDSACASA-N 322.317 1.771 5 40 DDBB CC1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 8724198 NDMMQIOLOULKTI-UHFFFAOYSA-N 319.361 1.973 5 40 DDBB O=[N+]([O-])c1c[nH]nc1-c1nnn(C23CC4CC(CC(C4)C2)C3)n1 4171285 HUISZFGFNZAXHC-UHFFFAOYSA-N 315.337 1.897 5 40 DDBB O=C(c1ccccc1[N+](=O)[O-])N1CC[C@](O)(C(F)(F)F)C1 77990739 LANSXQJGRPGTAH-LLVKDONJSA-N 304.224 1.734 5 40 DDBB C[C@H]1CCc2ccccc2N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 78949904 QPBBHYOLSDJREN-SWLSCSKDSA-N 316.361 1.994 5 40 DDBB CCOC(=O)CN1CCO[C@@H](COc2ccc([N+](=O)[O-])cc2)C1 217502924 HSXWGKSSFWODNN-CQSZACIVSA-N 324.333 1.238 5 40 DDBB O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCOCC1 130806978 CKPMIHXFWQHRRY-UHFFFAOYSA-N 319.361 1.418 5 40 DDBB CN1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O 95470768 VAVLFLWKGDHZEN-UHFFFAOYSA-N 301.214 1.882 5 40 DDBB O=C1NC2(CCSCC2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 69655868 CKBNCKJAOXLSCM-UHFFFAOYSA-N 321.358 1.912 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC[C@@H]1C 58150997 IBEFCJGBGUOTNP-LBPRGKRZSA-N 307.350 1.953 5 40 DDBB CCc1ccc([C@@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 48222636 JGCBZWSMARHCPF-SNVBAGLBSA-N 303.322 1.626 5 40 DDBB NCCCNc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2F)n1 5164871 ZPFHWVNTNCRTDE-UHFFFAOYSA-N 321.316 1.610 5 40 DDBB Cc1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)ccc1[N+](=O)[O-] 84101493 IPTMGALVQAAQRV-LLVKDONJSA-N 305.290 1.180 5 40 DDBB Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2cn[nH]c2)C1 97050513 JOVQEDZHKVSXFU-SNVBAGLBSA-N 315.333 1.920 5 40 DDBB Cc1ncsc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 85324908 XVEQBJGQKAZZSH-TZMCWYRMSA-N 323.374 1.544 5 40 DDBB COc1ccc(Cc2noc(Cn3ccc([N+](=O)[O-])n3)n2)cc1 89444072 CXBPZKMDXKBROM-UHFFFAOYSA-N 315.289 1.822 5 40 DDBB O=c1c2ccccc2nc2c3ccccc3c(NCCO)nn12 2889012 GCHMICOBJHIIAI-UHFFFAOYSA-N 306.325 1.800 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1)OCO2 6120129 OPZZGWOOEYHQTJ-UHFFFAOYSA-N 317.257 1.124 5 40 DDBB CCOC(=O)c1ccc(NN2C(=O)CCC2=O)c([N+](=O)[O-])c1 5008346 HVMDIBFAFRQINP-UHFFFAOYSA-N 307.262 1.247 5 40 DDBB NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 96446521 DOXBGNBTKAKBBS-JTQLQIEISA-N 319.239 1.304 5 40 DDBB CC(=O)N1C(=O)NC(C)=C([N+](=O)[O-])[C@H]1c1cccc([N+](=O)[O-])c1 5296303 OHWCHLOJRAAHTI-GFCCVEGCSA-N 320.261 1.716 5 40 DDBB CN1CC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 95466163 BPPMEPUCCMZZBC-UKRRQHHQSA-N 303.362 1.690 5 40 DDBB CC(=O)Oc1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc1 409350476 YFYOQZIPRMNGJF-DAXSKMNVSA-N 317.257 1.892 5 40 DDBB Cc1cc(O)c([C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c(=O)o1 38122 BPPXNXWFEJCLDO-JTQLQIEISA-N 319.269 1.791 5 40 DDBB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] 52992344 HWEIUQRIXPKKRB-UONOGXRCSA-N 323.393 1.339 5 40 DDBB CCc1nc(N)nc(N)c1-c1ccc(NCCN)c([N+](=O)[O-])c1 26501194 XYSUDZRZSXTBRQ-UHFFFAOYSA-N 317.353 1.149 5 40 DDBB Cn1cc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cn1 78988820 QMIUDQFMUHJTCT-UHFFFAOYSA-N 308.725 1.954 5 40 DDBB Cn1c(SCCn2ccc([N+](=O)[O-])n2)nnc1-c1ccco1 96450920 JQQPCHPTFXJMMH-UHFFFAOYSA-N 320.334 1.972 5 40 DDBB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1 5784233 VQQFAUPTYQPPHA-BQYQJAHWSA-N 322.273 1.196 5 40 DDBB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccn1 409375708 OFMZJLJBVNIWFQ-UHFFFAOYSA-N 301.258 1.618 5 40 DDBB O=C1Nc2cc([N+](=O)[O-])ccc2O[C@H]1CCN1CCOCC1 20405103 HSELGPVFODMGGJ-ZDUSSCGKSA-N 307.306 1.017 5 40 DDBB CCN1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 3371446 NGRKIBYTJYKNHK-LBPRGKRZSA-N 313.379 1.357 5 40 DDBB Cc1ccc([C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2)cn1 4158401 RDKJZWQREGPLLH-AWEZNQCLSA-N 301.302 1.762 5 40 DDBB Cc1nn(C)c(Sc2nc(-c3ccncc3)n[nH]2)c1[N+](=O)[O-] 95397320 IZXIBQAUTAVGSH-UHFFFAOYSA-N 317.334 1.968 5 40 DDBB Cc1cc(C(=O)NCCCn2cc(C)cn2)c(N)c([N+](=O)[O-])c1 78549562 NHLJSBSAGAQGDD-UHFFFAOYSA-N 317.349 1.810 5 40 DDBB COC(=O)[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2C)C1 45958637 IBXIPLBXLGEMBD-NSHDSACASA-N 321.333 1.337 5 40 DDBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C(N)=O)C1 34887425 QILMBZWXKRSDRJ-QWRGUYRKSA-N 320.349 1.119 5 40 DDBB Nc1nc(NCC(=O)O)nc(Nc2ccccc2F)c1[N+](=O)[O-] 5163267 OMLZOONVGGQZHU-UHFFFAOYSA-N 322.256 1.346 5 40 DDBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100179171 RCIPQFMRNBPBRC-XRRVDJEJSA-N 316.269 1.046 5 40 DDBB O=C(CNc1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2 58365733 PDEZFKOOAHBPQG-UHFFFAOYSA-N 321.333 1.372 5 40 DDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 45054820 SEGITSOJPQRWPK-GYSYKLTISA-N 314.345 1.934 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CC(=O)NCCc1c(F)cccc1F 65693551 MJSCHBIKACSJFL-UHFFFAOYSA-N 324.287 1.737 5 40 DDBB CS(=O)(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 7187841 DIBVMFIVFOGUIS-UHFFFAOYSA-N 313.379 1.506 5 40 DDBB C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nnn[nH]1 97141346 YXCCETRUXJFACD-SSDOTTSWSA-N 315.293 1.123 5 40 DDBB O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(CC3)c3ccccc32)c1 72667300 UXBFFWHBOIYIHS-CYBMUJFWSA-N 314.345 1.704 5 40 DDBB COC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 30494111 JXGNMBJRCKJOJR-SECBINFHSA-N 302.352 1.525 5 40 DDBB CCN(CC(=O)NCCCOC)Cc1ccccc1[N+](=O)[O-] 40087782 QAPNPCQMMCGWCE-UHFFFAOYSA-N 309.366 1.569 5 40 DDBB Cc1c(NC(=O)N[C@@H](C)c2nnc(O)n2C)cccc1[N+](=O)[O-] 585141442 UQLVKLHLDLBDPI-QMMMGPOBSA-N 320.309 1.620 5 40 DDBB O=C(NN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1[N+](=O)[O-] 8475026 TVARRPZQPCHHLM-NXEZZACHSA-N 315.285 1.191 5 40 DDBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)N1CCCC1 12513020 GOOAJANBLLEIFA-VIFPVBQESA-N 307.306 1.345 5 40 DDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccccn1 27934381 ITUVIJYFKHPILE-UHFFFAOYSA-N 307.331 1.777 5 40 DDBB C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)C1 5162754 LPIUCUDAPNXWOH-JTQLQIEISA-N 322.369 1.040 5 40 DDBB Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCc1ccccc1 65713298 HYQKHAACEACPTP-UHFFFAOYSA-N 302.334 1.849 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])c(NCc2cccnc2)c([N+](=O)[O-])c1 26508929 WGFMZKSITXIEOV-UHFFFAOYSA-N 317.261 1.609 5 40 DDBB O=c1[nH]c(O)nc(/C=C/c2cccc([N+](=O)[O-])c2O)c1[N+](=O)[O-] 33563701 NYNJNQUSTXDBEM-SNAWJCMRSA-N 320.217 1.168 5 40 DDBB O=C(Cc1ccc(Oc2ccncc2[N+](=O)[O-])cc1)NCCO 78882406 FFEOXZPQEFOGKJ-UHFFFAOYSA-N 317.301 1.433 5 40 DDBB CCOC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccccc1)C1(C)OCCO1 5717607 NBEQJYMPWHAXHW-KGLIPLIRSA-N 323.345 1.989 5 40 DDBB CN(CCOc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O 28812999 FBAORICMANRCHH-UHFFFAOYSA-N 317.301 1.434 5 40 DDBB CCCCC1N2CC3([N+](=O)[O-])CN1CC([N+](=O)[O-])(C2)C3(C)C 19319742 FVVKVTSFTDLWOL-UHFFFAOYSA-N 312.370 1.205 5 40 DDBB biogenic C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)O1 5638074 VKZDKKDSFCEERV-NXEZZACHSA-N 314.363 1.612 5 40 DDBB COC(=O)/C=C/c1ccc(N[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 95997031 PEGQPQNVROPNST-RXNUUUNCSA-N 305.290 1.081 5 40 DDBB CCOC(=O)[C@@H](N)Cc1ccc(Br)cc1[N+](=O)[O-] 34424612 POQSUGPFFCSANW-VIFPVBQESA-N 317.139 1.790 5 40 DDBB O=[N+]([O-])c1n[nH]c(C(F)(F)F)c1I 72339189 VWMNGTOHCFWJJB-UHFFFAOYSA-N 306.969 1.941 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccncc1 10327911 ZIFSMWPHTIYVLV-UHFFFAOYSA-N 314.301 1.553 5 40 DDBB COC(=O)c1c(Br)cc2c(c1[N+](=O)[O-])OCO2 1715930 OQHOSDHFOIULQN-UHFFFAOYSA-N 304.052 1.873 5 40 DDBB COC(=O)c1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1 33907977 IDRKHLKLEZUUIY-DAXSKMNVSA-N 317.257 1.341 5 40 DDBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)OC 4858167 JQXLJDKWVZODRK-NSHDSACASA-N 321.289 1.123 5 40 DDBB CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCn2ccnc2)s1 97083753 HQZNIHZDPLUOHA-UHFFFAOYSA-N 316.364 1.368 5 40 DDBB CN(Cc1nc2ccccc2n1C)c1ncc([N+](=O)[O-])c(N)n1 96418709 AUZLFPDTZYQFBL-UHFFFAOYSA-N 313.321 1.490 5 40 DDBB CCNC(=O)COc1ccc([N+](=O)[O-])cc1Br 77955687 OQFFWJRHUUBNRG-UHFFFAOYSA-N 303.112 1.872 5 40 DDBB CCOC(=O)c1cc([N+](=O)[O-])c(Cl)c(S(N)(=O)=O)c1 113645210 IPCJIXDKFJVVEA-UHFFFAOYSA-N 308.699 1.072 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 22018134 JNLIMDSTFTXPFY-RYUDHWBXSA-N 307.350 1.951 5 40 DDBB CN(CCCOc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 53836293 JFARELNPWHPYHK-UHFFFAOYSA-N 319.321 1.114 5 40 DDBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C2CC2)CC1 25165435 RQWUOXHCIFUCOQ-UHFFFAOYSA-N 303.318 1.289 5 40 DDBB Cc1cc(O)n2nc(NCc3cccc([N+](=O)[O-])c3)nc2n1 18219893 IQNTXUXCKANMHB-UHFFFAOYSA-N 300.278 1.659 5 40 DDBB O=C1[C@H](Nc2ncccc2[N+](=O)[O-])CN1c1ccc(F)cc1 95469158 AMQDHQHTDWTKNU-LLVKDONJSA-N 302.265 1.956 5 40 DDBB O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](CO)C1 74764051 NATMZDKVUYTFEG-GFCCVEGCSA-N 307.350 1.551 5 40 DDBB NCCCC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 5933046 GSIJNJVQPCUGSE-JTQLQIEISA-N 312.282 1.497 5 40 DDBB O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc([N+](=O)[O-])o1 5313515 BZHOHCXKBHLZKC-UHFFFAOYSA-N 314.257 1.354 5 40 DDBB O=C1NC(=O)[C@@](Cc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 2044482 KGKUFCKQTLRMCX-MRXNPFEDSA-N 311.297 1.872 5 40 DDBB O=[N+]([O-])c1nn(Cc2nnc(C3CC3)o2)cc1Br 69773085 QNBIMCWBVMLTGW-UHFFFAOYSA-N 314.099 1.863 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 3059059 VEEUZFKPVREOHO-UHFFFAOYSA-N 322.342 1.952 5 40 DDBB Cc1c(NC(=O)NCc2nnc3n2CCC3)cccc1[N+](=O)[O-] 43347419 XKMKPAGPCLAVIY-UHFFFAOYSA-N 316.321 1.763 5 40 DDBB CO[C@@H]1CCCC[C@@H]1OC(=O)CCn1cc([N+](=O)[O-])nc1C 84271907 SQAIXOLLVUGVMV-NEPJUHHUSA-N 311.338 1.991 5 40 DDBB CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nnn[nH]1 89949593 LCUIRFSOFFDINM-LLVKDONJSA-N 304.310 1.308 5 40 DDBB CN1C[C@@]2([N+](=O)[O-])C=C(Oc3ccccc3)C[C@@]([N+](=O)[O-])(C1)C2 36033906 FMLSXIISAOVPEC-CABCVRRESA-N 319.317 1.720 5 40 DDBB CN1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 91028888 JHJVDQQBZFZELM-UHFFFAOYSA-N 317.342 1.060 5 40 DDBB O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 101164918 OWIRASZRJZHFER-RRGXMBOYSA-N 300.270 1.612 5 40 DDBB C[C@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)CO1 106116001 NKZAHOFJPWWWHT-RYUDHWBXSA-N 317.349 1.920 5 40 DDBB C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 23509310 MZHDCDLFIPHOSD-CHWSQXEVSA-N 321.377 1.824 5 40 DDBB Cc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)on1 48305781 TXECRYWSBFLGBJ-UHFFFAOYSA-N 316.317 1.854 5 40 DDBB C[C@@H](C(=O)NCCc1ccc(F)cc1)n1cc([N+](=O)[O-])cn1 97048019 USKXMBZJHRRTHC-JTQLQIEISA-N 306.297 1.850 5 40 DDBB COC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 95452548 RWJPUHZMBUSZJM-UHFFFAOYSA-N 300.336 1.313 5 40 DDBB O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@@H]1O 78953341 AHCGMURYNYCVBL-JSGCOSHPSA-N 307.350 1.740 5 40 DDBB Cc1ccnc(N2CCC(c3cc(N)[nH]n3)CC2)c1[N+](=O)[O-] 79038383 UTPMMHZPQDHKQX-UHFFFAOYSA-N 302.338 1.988 5 40 DDBB CCN(Cc1cnn(C)c1)c1ccc2ncc([N+](=O)[O-])n2n1 225593543 MIXISAWSHUFONL-UHFFFAOYSA-N 301.310 1.398 5 40 DDBB CCOC(=O)[C@H]1CCCN(C(=N)Nc2ccc([N+](=O)[O-])cn2)C1 253563880 FWQBTKSWMNJBRV-JTQLQIEISA-N 321.337 1.612 5 40 DDBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC2(C1)OCCO2 78988873 ZTJCGNANMCRRLF-UHFFFAOYSA-N 312.709 1.837 5 40 DDBB Cn1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 2767409 HFVZDUCKPIJJKR-UHFFFAOYSA-N 305.250 1.167 5 40 DDBB Cn1cnnc1Sc1ccc([N+](=O)[O-])cc1/C=C\C(N)=O 409023088 CWEFZYDCMWFBSB-DJWKRKHSSA-N 305.319 1.373 5 40 DDBB CCOc1cc(CCC(=O)O)c([N+](=O)[O-])cc1OCC(=O)O 216757699 ZFHKHQYTIFISMX-UHFFFAOYSA-N 313.262 1.474 5 40 DDBB COc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1O 33406457 SYBADKLGVUVOEI-RQOWECAXSA-N 305.246 1.268 5 40 DDBB Cn1cc([C@H]2N(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2(C)C)cn1 565097889 DPCOTMUELDJFSY-SNVBAGLBSA-N 304.310 1.275 5 40 DDBB O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1C[C@H]1[N+](=O)[O-] 55452790 CBCWMCXOKZMPJX-UONOGXRCSA-N 322.336 1.655 5 40 DDBB COC(=O)[C@@H](C)OC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 12754005 GKFSSQXUPOPRQR-SSDOTTSWSA-N 313.262 1.330 5 40 DDBB O=C(O)C1CCN(c2ccc3nsnc3c2[N+](=O)[O-])CC1 6758004 HOKVKCXIWDHGLI-UHFFFAOYSA-N 308.319 1.901 5 40 DDBB Cc1nccn1CCCCNC(=O)CCn1cc([N+](=O)[O-])cn1 76022667 IDNQHFUCMDRJKO-UHFFFAOYSA-N 320.353 1.283 5 40 DDBB C[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 217342308 YPFUMAKGRZTFRY-NWJSVONSSA-N 300.270 1.428 5 40 DDBB COC(=O)N1CCC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 65610213 XXFTXWGMPIHPSS-NSHDSACASA-N 321.333 1.864 5 40 DDBB O=C(OCCC1(CCO)OCCO1)c1ccc([N+](=O)[O-])cc1 1716962 PDJCQPKWFKTKML-UHFFFAOYSA-N 311.290 1.267 5 40 DDBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 100171944 GDYKLRVZRPIDKJ-ZDEQEGDKSA-N 300.270 1.346 5 40 DDBB Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(NCCO)n2)cc1 5025187 KVQKGENMKPNGHU-UHFFFAOYSA-N 318.337 1.292 5 40 DDBB Nc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 4866798 NWBRPVVYYPBGCA-UHFFFAOYSA-N 315.285 1.973 5 40 DDBB CCN(CC(=O)NC(C)(C)C)c1ccc(C(N)=O)cc1[N+](=O)[O-] 6869448 DKEKUIBWUHBXJV-UHFFFAOYSA-N 322.365 1.435 5 40 DDBB Cc1csc(SC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 76082552 GETKHWCLJBJUMV-VIFPVBQESA-N 300.365 1.709 5 40 DDBB C[C@H]1CCOCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] 95459985 NTIDIKQCZYYHPM-JTQLQIEISA-N 304.306 1.218 5 40 DDBB O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@](O)(C(F)(F)F)C1 77990742 LANSXQJGRPGTAH-NSHDSACASA-N 304.224 1.734 5 40 DDBB COC(=O)[C@H]1C[C@@H](OC)CN1CCc1ccc([N+](=O)[O-])cc1 95959996 UBKOMJHZGMHGMB-ZIAGYGMSSA-N 308.334 1.400 5 40 DDBB Cc1cc(S(=O)(=O)N(C)CCn2cccn2)ccc1[N+](=O)[O-] 96406692 IQDVJJYYYIPVQK-UHFFFAOYSA-N 324.362 1.420 5 40 DDBB COC1=C(OC)[C@H](OC)CC([N+](=O)[O-])=C1[C@H](C)OC(C)=O 2061000480 YYBAOPZNLUXTTE-OIBJUYFYSA-N 301.295 1.392 5 40 DDBB O=[N+]([O-])c1cccc(-c2noc(CN3CCC(CO)CC3)n2)c1 58403742 VZICTRPIUMJFAI-UHFFFAOYSA-N 318.333 1.849 5 40 DDBB COC(=O)Nc1c(SCCO)cc([N+](=O)[O-])cc1[N+](=O)[O-] 9659521 JGPZCWXXZBGAJG-UHFFFAOYSA-N 317.279 1.766 5 40 DDBB CCOC(=O)C1CCN(C(=N)Nc2ncccc2[N+](=O)[O-])CC1 225244792 ODFHNNSPUPBYEC-UHFFFAOYSA-N 321.337 1.612 5 40 DDBB C[C@H]1CN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)O1 47638449 KLRMITJZOLXIFO-GARJFASQSA-N 311.338 1.415 5 40 DDBB O=CN1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 10282793 GTDNWXGGOSEKLM-UHFFFAOYSA-N 323.374 1.129 5 40 DDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCn2ncnc21 69662151 CXUOXWNPMAWSEA-UHFFFAOYSA-N 323.334 1.094 5 40 DDBB COc1cc(C(CC(=O)O)CC(=O)O)c([N+](=O)[O-])cc1OC 15085131 YMKNYHIMOZLIIG-UHFFFAOYSA-N 313.262 1.645 5 40 DDBB CC[N+](CC)(CC)CCN1C(=O)c2ccccc2S1(=O)=O 5469423 CZKVUNBBHZWCCM-UHFFFAOYSA-N 311.427 1.708 5 40 DDBB COc1cc(Nc2ncnc(N)c2[N+](=O)[O-])cc(OC)c1OC 3912606 JFLURJRFBXULES-UHFFFAOYSA-N 321.293 1.736 5 40 DDBB NC(=O)c1c(N)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12 9316427 RNWBETLKSRWROI-UHFFFAOYSA-N 324.296 1.760 5 40 DDBB O=C(NC1CCN(CC2CCCCC2)CC1)[C@H]1C[C@H]1[N+](=O)[O-] 68280768 FWVAXAZVIMLHEN-LSDHHAIUSA-N 309.410 1.813 5 40 DDBB CCc1noc(-c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)n1 20897965 HXVDGDVDNQGWFL-UHFFFAOYSA-N 317.349 1.959 5 40 DDBB CC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 47249827 MCRXUZBZRJSKCR-VXGBXAGGSA-N 305.334 1.819 5 40 DDBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 4349979 DWBRKRTWHDOAPE-FOCJUVANSA-N 314.297 1.736 5 40 DDBB O=C1CC[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)N1 96417087 XVSVRMDLGGUXPO-CYBMUJFWSA-N 305.334 1.312 5 40 DDBB O=C(NN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 105090441 XENZWYIUMBCYEJ-TXEJJXNPSA-N 315.285 1.191 5 40 DDBB Cc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1[N+](=O)[O-] 3190378 VHKIJZURKLDTOR-UHFFFAOYSA-N 318.314 1.885 5 40 DDBB O=C(CCn1cnc([N+](=O)[O-])c1)N1CCOc2ccccc21 33168109 QYWSONVEVYNWCE-UHFFFAOYSA-N 302.290 1.607 5 40 DDBB CN(N)c1nc(N2CCOCC2)cc(C(F)(F)F)c1[N+](=O)[O-] 43179113 JANPVGVWWNAURJ-UHFFFAOYSA-N 321.259 1.155 5 40 DDBB COC(=O)c1cc(C(=O)OC[C@H]2CCCO2)cc([N+](=O)[O-])c1 25396944 XRTZOWZILUCSRB-GFCCVEGCSA-N 309.274 1.717 5 40 DDBB Nc1nc(N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)ncc1[N+](=O)[O-] 110660085 VUSXIOKUFWSOIO-SRVKXCTJSA-N 318.381 1.278 5 40 DDBB Cc1noc(C)c1COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 3451358 MPBTVLAILNXSFS-UHFFFAOYSA-N 308.294 1.756 5 40 DDBB CCOC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C=O)CC1 5272071 ZLNHQYXKLIQSTD-UHFFFAOYSA-N 307.306 1.686 5 40 DDBB Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n(C)n1 66247836 PWLLTBWWCVUUHP-UHFFFAOYSA-N 310.335 1.746 5 40 DDBB Cn1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 72288663 YOJSKJWKOQHKPF-LLVKDONJSA-N 316.321 1.050 5 40 DDBB C[C@@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 136376105 YTEDFCBCFDCRDW-VZAMPYOESA-N 314.297 1.818 5 40 DDBB O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)NCc1ccco1 88606505 DBYGKUFZHCZPRQ-UHFFFAOYSA-N 315.329 1.862 5 40 DDBB COc1cc([C@H]2N[C@@H](C(=O)O)CS2)cc([N+](=O)[O-])c1OC 70068 PKVVJOTVEOPTFQ-HQJQHLMTSA-N 314.319 1.400 5 40 DDBB Cn1cnc([N+](=O)[O-])c1Sc1nc(-c2ccncc2)n[nH]1 12577355 YORZTCJPWCFNLS-UHFFFAOYSA-N 303.307 1.660 5 40 DDBB Cc1cc(=O)n(Cc2nnnn2-c2ccccc2)cc1[N+](=O)[O-] 89568497 SDJNIHMDTVNNPX-UHFFFAOYSA-N 312.289 1.089 5 40 DDBB Cc1nn(C)c(N(C)Cc2nnc3ccccn23)c1[N+](=O)[O-] 75138131 MTMVKBRWKCIHDE-UHFFFAOYSA-N 301.310 1.316 5 40 DDBB Nc1nc(NCc2cccc(-n3cccn3)c2)ncc1[N+](=O)[O-] 75140418 TWHNMAKVOBOHRC-UHFFFAOYSA-N 311.305 1.765 5 40 DDBB O=C(NC[C@@](O)(c1ccco1)C1CC1)c1ccc([N+](=O)[O-])o1 75154879 FDVYYWAWCYTLNW-AWEZNQCLSA-N 306.274 1.808 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NCCN1C[C@H](C(=O)O)CC1=O 45958640 KOMLTEDPQRBLLE-SNVBAGLBSA-N 307.306 1.248 5 40 DDBB CS(=O)(=O)NC1CCN(c2sccc2[N+](=O)[O-])CC1 96492786 MUHGNTFMBQZERM-UHFFFAOYSA-N 305.381 1.174 5 40 DDBB O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 169617016 WDHWVBYYVWBZGG-WYUUTHIRSA-N 320.688 1.691 5 40 DDBB CC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 15091348 RSMIZZAXBJIKOM-UHFFFAOYSA-N 305.334 1.644 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccccn1 10327904 CYCLQMXFHAURRG-UHFFFAOYSA-N 314.301 1.553 5 40 DDBB Cc1cc(C(=O)N(C)Cc2nnc3n2CCC3)ccc1[N+](=O)[O-] 11120913 ASAONTAIBLSCTC-UHFFFAOYSA-N 315.333 1.713 5 40 DDBB Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N2 13691320 XSKSCZRVSOFUGN-SNVBAGLBSA-N 316.277 1.017 5 40 DDBB O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)c1cn[nH]c1 179171716 JVNPXDGIIOSBRN-UHFFFAOYSA-N 308.319 1.459 5 40 DDBB O=C(C[C@@H]1OC[C@H]2CCCN2C1=O)Nc1ccc([N+](=O)[O-])cc1 4164150 OIRIGZAYACCDCH-OLZOCXBDSA-N 319.317 1.313 5 40 DDBB O=C(NC[C@@H]1CCOC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 48234501 FPOAFOCWQSLBQB-NSHDSACASA-N 316.317 1.547 5 40 DDBB Cc1nc([N+](=O)[O-])c(NCc2ccc(-n3cccn3)nc2)n1C 48366287 NXUMPCSTEOZQBV-UHFFFAOYSA-N 313.321 1.830 5 40 DDBB CCCNC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl 3499527 OGYFQODLEFNLIM-UHFFFAOYSA-N 300.698 1.931 5 40 DDBB O=[N+]([O-])c1cccc(OS(=O)(=O)C[C@@H]2CCCCO2)c1 65541865 MUYVJFUYHSGYLR-LBPRGKRZSA-N 301.320 1.873 5 40 DDBB Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc3n(c12)CCC3 4705421 VOPIQQAFGVWMTD-UHFFFAOYSA-N 317.334 1.565 5 40 DDBB CN(C)S(=O)(=O)NCCCCc1ccc([N+](=O)[O-])cc1 71916257 RWAAZRZCSGIVPS-UHFFFAOYSA-N 301.368 1.314 5 40 DDBB COC[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 79091123 JGDNBOXLTBIROV-LLVKDONJSA-N 307.350 1.552 5 40 DDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC1CC1 5688281 MEPJILMZZQFQQU-UHFFFAOYSA-N 311.363 1.954 5 40 DDBB O=C1OCC[C@@H]1N1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 89773161 DFIQQVBRNDJBBF-AWEZNQCLSA-N 323.324 1.926 5 40 DDBB O=C(O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6665471 ILUIVNFRFIAWLJ-JTQLQIEISA-N 309.234 1.192 5 40 DDBB COc1ccc(C2=CCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 53772716 GFSKTBRKEWFLHZ-GJZGRUSLSA-N 302.330 1.976 5 40 DDBB O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1C[C@@H]1[N+](=O)[O-] 58380513 JKHHKJKHAHQLKC-HUBLWGQQSA-N 318.329 1.690 5 40 DDBB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)Nc1cccc([N+](=O)[O-])c1 409376374 XQOANHGRMVLMEQ-ZAZJYDDPSA-N 318.285 1.578 5 40 DDBB COc1ccc([N+](=O)[O-])cc1CN1C(=O)C(=O)N(C(C)C)C1=O 58811353 PBEKYHUNWDCHSG-UHFFFAOYSA-N 321.289 1.303 5 40 DDBB Cc1ccc(C(=O)NCc2nnc3n2CCC3)cc1[N+](=O)[O-] 12938467 SSNOUWHFNQFADJ-UHFFFAOYSA-N 301.306 1.371 5 40 DDBB C[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 100025357 YPFUMAKGRZTFRY-RTWAVKEYSA-N 300.270 1.428 5 40 DDBB CCN[C@@H](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O 5258502 KMJVMMRPMGRMFT-VIFPVBQESA-N 315.713 1.640 5 40 DDBB CC(C)(C)OC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](N)CC(=O)O 21301515 ONVONVHJHISQMZ-DGCLKSJQSA-N 324.333 1.822 5 40 DDBB COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1OC 9234903 NFKPCTDRYBBUQA-GQCTYLIASA-N 319.273 1.571 5 40 DDBB CC1=NN[C@@]2(C)Nc3ncnn3[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]12 4060587 KNJBPUYAXUVFLK-SGMGOOAPSA-N 313.321 1.513 5 40 DDBB O=[N+]([O-])c1ncn(-c2nc(O)c3cnn(-c4ccccc4)c3n2)n1 78990234 PGVRJGBTESNVQW-UHFFFAOYSA-N 324.260 1.010 5 40 DDBB CS(=O)(=O)N1CCC[C@@H]1CNCc1cccc([N+](=O)[O-])c1 95435711 YDSAISZVGIPCJN-CYBMUJFWSA-N 313.379 1.108 5 40 DDBB Cc1c(CN2C(=O)C(=O)N(CC(C)C)C2=O)cccc1[N+](=O)[O-] 42152412 YGIINOSUQIRYCM-UHFFFAOYSA-N 319.317 1.850 5 40 DDBB COc1cc(OC)c([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1OC 128885 XXXOQNAXNXKJPB-YMTOWFKASA-N 310.306 1.309 5 40 DDBB COc1ccc2c3c1O[C@H]1[C@@H](O)CC=C[C@@]31CC[N+](C)(C)C2 4038896 DOUIWWHBJPGSBE-DOPJRALCSA-N 302.394 1.995 5 40 DDBB biogenic Cc1ccc(S(=O)(=O)NCCCOC(C)C)cc1[N+](=O)[O-] 6478368 UKPYVDVIELDLFO-UHFFFAOYSA-N 316.379 1.997 5 40 DDBB O=C1OCCN1CCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 75138372 BFQMNVRPGXTDSX-UHFFFAOYSA-N 302.290 1.911 5 40 DDBB CCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(C)n1N 70462420 IPRFIUJVMXPVDT-UHFFFAOYSA-N 323.334 1.536 5 40 DDBB Cc1nn(C)c(C(=O)N[C@@H](C)CNc2ccccc2)c1[N+](=O)[O-] 96495424 XMFKPHRODIDDMA-JTQLQIEISA-N 317.349 1.867 5 40 DDBB COc1cc(-c2c([N+](=O)[O-])cnn2CCO)cc(OC)c1OC 96527481 BMWUQKIOFXILCU-UHFFFAOYSA-N 323.305 1.476 5 40 DDBB C[C@@H]1SCC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 4292123 UITVFGHCPXOBRW-QMMMGPOBSA-N 323.330 1.024 5 40 DDBB COc1cc(NC(=O)Cn2ccsc2=N)c(C)cc1[N+](=O)[O-] 6280634 XXBGAZQQCPAYIU-UHFFFAOYSA-N 322.346 1.893 5 40 DDBB O=C([C@@H]1CCCN1c1ccc([N+](=O)[O-])cn1)N1CCSCC1 66818217 CKLZYKFUFOLLPU-LBPRGKRZSA-N 322.390 1.534 5 40 DDBB C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[S@](C)=O 97095541 PHANIIOSRNCOHY-QOLSBQFWSA-N 304.755 1.745 5 40 DDBB CN(Cc1ncnn1C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 73389962 WMHIUQLJCGEPEA-UHFFFAOYSA-N 309.713 1.649 5 40 DDBB CCO[C@H]1C[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C 96419328 ARFVLWKFXNYFHO-UWVGGRQHSA-N 310.354 1.902 5 40 DDBB C[N+]1(C)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@H]12 100299683 LZCOQTDXKCNBEE-WOYTXXSLSA-N 318.393 1.063 5 40 DDBB CN(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1719556 GIYISBREZARFPE-UHFFFAOYSA-N 307.331 1.925 5 40 DDBB O=C(Nc1ccc([N+](=O)[O-])cc1)O[C@H]1CCS(=O)(=O)C1 6512540 SOICDICTFNZWRB-JTQLQIEISA-N 300.292 1.330 5 40 DDBB O=C(Cc1ccccc1[N+](=O)[O-])NCc1nnc2ccccn12 9605142 JFUQLJOMTRMESX-UHFFFAOYSA-N 311.301 1.496 5 40 DDBB NC(=O)[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 39547860 GUGTZDHVDVMBID-CYBMUJFWSA-N 300.270 1.978 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCn1cccn1 30518803 FQXROQOGLGGBAL-UHFFFAOYSA-N 324.362 1.468 5 40 DDBB Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(O)n1 390834309 WCCUJMQNAYKGAI-UHFFFAOYSA-N 309.303 1.805 5 40 DDBB CCCNC(=O)CN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 69569305 BARBWBOCFKHFRZ-UHFFFAOYSA-N 324.356 1.382 5 40 DDBB O=C(NCc1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] 5251406 RHNCYIDXBZYIAO-UHFFFAOYSA-N 305.315 1.911 5 40 DDBB CCn1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 2767594 CYSSMFZLQSQFQF-UHFFFAOYSA-N 319.277 1.649 5 40 DDBB Cn1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)n1 4619210 BYRJVWYXXQKXCP-UHFFFAOYSA-N 321.318 1.161 5 40 DDBB COCCCN(C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 89346048 GOKYZVBWTJXJCS-UHFFFAOYSA-N 310.354 1.685 5 40 DDBB CCN(CC(=O)N[C@H](C)COC)Cc1ccccc1[N+](=O)[O-] 40087776 SQRLNSDYNURVKU-GFCCVEGCSA-N 309.366 1.568 5 40 DDBB COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H](NC(C)=O)C1 89954667 CZQCVAASFNKQKP-ZDUSSCGKSA-N 307.350 1.846 5 40 DDBB COCCNc1ccc(C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 22620746 YZIBGLOMGRESNK-GFCCVEGCSA-N 323.349 1.562 5 40 DDBB Cc1ccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 12620874 OTPVEPDUJWMDHV-TXEJJXNPSA-N 307.350 1.951 5 40 DDBB Cc1cc(C=O)c(C)n1NC(=O)COc1ccccc1[N+](=O)[O-] 408566514 HDMORCUHJNQEJH-UHFFFAOYSA-N 317.301 1.975 5 40 DDBB CN(C)C1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 95462091 RIQBAUHGOHLGHK-UHFFFAOYSA-N 319.770 1.183 5 40 DDBB C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])N1CCCCC1=O 194257284 OTVAREFTGGDRST-SNVBAGLBSA-N 323.324 1.865 5 40 DDBB CCO[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C 96419329 ARFVLWKFXNYFHO-NXEZZACHSA-N 310.354 1.902 5 40 DDBB COc1ccc2c(c1)C[C@H](NCCn1cc([N+](=O)[O-])cn1)CC2 90539351 ZDHKIUOUUMWEBM-CQSZACIVSA-N 316.361 1.947 5 40 DDBB Cc1cc(N2CCNC(=O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 58314072 IAUKDYWOMOGDHB-UHFFFAOYSA-N 313.317 1.296 5 40 DDBB CCN1CCN(c2nc(NCC(C)C)nc(N)c2[N+](=O)[O-])CC1 5051224 BDHSIMYTULWCJV-UHFFFAOYSA-N 323.401 1.177 5 40 DDBB COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@]31CC[N+](C)(C)C2 5530270 FESJTOGKKMDYHG-JCKWVBRZSA-N 302.394 1.995 5 40 DDBB O=[N+]([O-])c1cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)cs1 71892942 RFMNHJCGHHSCAV-LLVKDONJSA-N 316.404 1.808 5 40 DDBB CNCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 63159711 ZCLRUTQCFDXDRC-UHFFFAOYSA-N 313.379 1.215 5 40 DDBB CN(C)c1ncc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 79358812 ZZOPVSOBROYCPG-UHFFFAOYSA-N 318.337 1.716 5 40 DDBB CCOc1ccc2c(c1)CN(c1ncc([N+](=O)[O-])c(N)n1)CC2 63992397 DTSWVOWCURWITF-UHFFFAOYSA-N 315.333 1.928 5 40 DDBB NC(=O)COc1c(Br)cc(Cl)cc1[N+](=O)[O-] 14154583 DOCHSUYUZIMYFT-UHFFFAOYSA-N 309.503 1.875 5 40 DDBB CC(=O)NC1=NN(C(C)=O)[C@H](c2ccccc2[N+](=O)[O-])S1 201268 XAAHPNXSLGNUMI-NSHDSACASA-N 308.319 1.596 5 40 DDBB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2[nH]1 106526802 FBXZUWIEIZAUPJ-OASPWFOLSA-N 300.318 1.892 5 40 DDBB COC(=O)c1ccc(Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)o1 8835961 WLKCQIOANLAAOA-UHFFFAOYSA-N 310.222 1.436 5 40 DDBB O=C(NCCCOc1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O 9317007 GBBVFMQRNSHSCW-UHFFFAOYSA-N 317.301 1.482 5 40 DDBB O=C(NCc1ccc(F)cc1)c1noc([C@H]2C[C@H]2[N+](=O)[O-])n1 78774255 NTOQHJKPCJNKCZ-VHSXEESVSA-N 306.253 1.271 5 40 DDBB Nc1ccccc1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] 4523185 PKOZVXFZXSNTEK-UHFFFAOYSA-N 301.306 1.471 5 40 DDBB CCN([C@@H](C)COC)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 55283717 FVOYEVOHUWHTLJ-NSHDSACASA-N 316.379 1.949 5 40 DDBB O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCSCC1 69149093 DBDPWEHJPMYMIJ-UHFFFAOYSA-N 311.363 1.732 5 40 DDBB O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1CO 81499803 MGMAXMSYEINRDH-UONOGXRCSA-N 321.377 1.988 5 40 DDBB CCn1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n[nH]c1=S 65565011 YXUYMHRQMNBZDE-UHFFFAOYSA-N 321.362 1.841 5 40 DDBB Cc1c(NC(=O)NCC(=O)N2CCCC2)cccc1[N+](=O)[O-] 40526352 ZWDGOCLRXQVIDO-UHFFFAOYSA-N 306.322 1.647 5 40 DDBB CCS(=O)(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1 71811007 LUJHXVJOJDNUTQ-UHFFFAOYSA-N 301.368 1.678 5 40 DDBB O=C1[C@H]2[C@@H](C(=O)[C@@]3(c4ccc([N+](=O)[O-])cc4)O[C@@H]13)[C@H]1C=C[C@H]2C1 101277539 NYGHMTVUQBCABQ-ZFVWHCQFSA-N 311.293 1.779 5 40 DDBB Cc1nn(C)c(NCc2nnc(C3CCC3)n2C)c1[N+](=O)[O-] 95941766 RIGJHZBQYOGJMB-UHFFFAOYSA-N 305.342 1.645 5 40 DDBB Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1I 584881620 XOJZKFNIAINJLT-UHFFFAOYSA-N 320.996 1.952 5 40 DDBB C[N+]1(CCNC(=O)c2ccc3c(c2)OCCO3)CCCCC1 5921171 GYADAEYXNHJPFF-UHFFFAOYSA-O 305.398 1.818 5 40 DDBB O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@H]1[N+](=O)[O-] 32932565 JKYMKFYKYKLAGY-VHSXEESVSA-N 304.224 1.867 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1CCCO1 28326712 WRPTWSKKHJBSPR-ZYHUDNBSSA-N 314.363 1.749 5 40 DDBB CCc1oc(C(=O)OC)cc1Cn1ccc(=O)c([N+](=O)[O-])c1 83817493 OPRUSYMXLCTRCG-UHFFFAOYSA-N 306.274 1.747 5 40 DDBB CC[C@H](NC(=O)c1nccnc1N)c1cccc([N+](=O)[O-])c1 79018681 MHHJENQYNNBFHO-NSHDSACASA-N 301.306 1.848 5 40 DDBB Cc1nsc(N2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)n1 78557736 QIFNIDHHLQDGFP-UHFFFAOYSA-N 320.378 1.866 5 40 DDBB Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(CC2CCCC2)C1 96487658 SGIIFMBLUPCHEN-GFCCVEGCSA-N 321.381 1.323 5 40 DDBB O=C(O)c1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCCC1 256047241 LICRQBIYEHTMFS-UHFFFAOYSA-N 303.278 1.474 5 40 DDBB C[C@@H](C(=O)Nc1ncccn1)N(C)Cc1ccccc1[N+](=O)[O-] 69394256 TWFXORHIOLTYER-NSHDSACASA-N 315.333 1.844 5 40 DDBB COc1cc(/C=C\C(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 5958367 CDZKSZGLNIFIGM-ARJAWSKDSA-N 322.317 1.484 5 40 DDBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)NN1CCOCC1 161771 JVESNKLVIFGDNL-UHFFFAOYSA-N 300.702 1.617 5 40 DDBB Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1cc([N+](=O)[O-])ccc1O 100101329 QENRPSZYWHCPPE-SDQBBNPISA-N 314.253 1.966 5 40 DDBB Cc1ccc([C@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1C 48355145 BMDPKCASJHXHDR-NSHDSACASA-N 303.322 1.681 5 40 DDBB O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@@H]1CO 81499802 MGMAXMSYEINRDH-KGLIPLIRSA-N 321.377 1.988 5 40 DDBB CCOc1cccc(N2C[C@H]3[C@@H](C2)OCCN3C)c1[N+](=O)[O-] 96503070 OQECODPPPFTYOD-GXTWGEPZSA-N 307.350 1.513 5 40 DDBB Cc1ccc(C(=O)N2CCC(CC(N)=O)CC2)cc1[N+](=O)[O-] 40542692 ZTKDHPVPFPJKTN-UHFFFAOYSA-N 305.334 1.631 5 40 DDBB Cn1cc(N2CCC[C@@H](Nc3ccncc3[N+](=O)[O-])C2)cn1 76063574 UUBKVBQSJRNRNJ-LLVKDONJSA-N 302.338 1.804 5 40 DDBB CC(C)(CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccncc1 97114408 NOIPBBAVUAJDQR-UHFFFAOYSA-N 315.333 1.675 5 40 DDBB Cn1c(=O)n(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 95432535 AMDGOJLVBIUYQE-OAHLLOKOSA-N 313.313 1.982 5 40 DDBB O=C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 89768272 SXFTUZVUCQDRPW-UHFFFAOYSA-N 303.318 1.974 5 40 DDBB Cc1cc(C(=O)NCC(=O)N[C@H]2C=CCCC2)ccc1[N+](=O)[O-] 97083234 QTATXLPLBGFOLT-ZDUSSCGKSA-N 317.345 1.858 5 40 DDBB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 12436935 OWIRASZRJZHFER-GRUGVGOFSA-N 300.270 1.612 5 40 DDBB NS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 13004828 VMPKSOFMTAQGGN-UHFFFAOYSA-N 308.319 1.249 5 40 DDBB NC(=O)c1cn(-c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cn1 90092005 JCYODPVVYCMHLM-UHFFFAOYSA-N 309.285 1.941 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](NS(C)(=O)=O)C1 131395851 WGFQOYIHDPQACK-NSHDSACASA-N 313.379 1.421 5 40 DDBB COCCOCCCNc1c(C(=O)OC)cccc1[N+](=O)[O-] 585141688 FEQILDSKWMVSDL-UHFFFAOYSA-N 312.322 1.846 5 40 DDBB O=[N+]([O-])c1ccc2nc(S[C@H]3CCS(=O)(=O)C3)[nH]c2c1 5614500 VCYWXXQPYVPEGE-QMMMGPOBSA-N 313.360 1.750 5 40 DDBB CC(=O)O[C@H](COCc1ccccc1)C[N+]1(C)CCOCC1 494170 QQMNKSQXAPEKTD-KRWDZBQOSA-N 308.398 1.612 5 40 DDBB Cc1cc([N+](=O)[O-])nn1C(=O)CCCn1cc([N+](=O)[O-])cn1 12446590 GIHFKZZPOOBBNV-UHFFFAOYSA-N 308.254 1.325 5 40 DDBB Cc1cc(CN(C)C(=O)COc2ccccc2[N+](=O)[O-])no1 25139666 NKMKMCQZUGZBFQ-UHFFFAOYSA-N 305.290 1.929 5 40 DDBB O=[N+]([O-])c1ccc(CCCCNc2ccc3nnnn3n2)cc1 72292427 BABYEMHPTYGLJL-UHFFFAOYSA-N 313.321 1.862 5 40 DDBB O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccccn2)cc1 32804231 PMVYKCDXXVBRSG-UHFFFAOYSA-N 307.331 1.609 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CCCO2)cc1 24432900 KNWOICBTUHIDNV-NSHDSACASA-N 300.336 1.442 5 40 DDBB CCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 69417687 XEWVZPXRUKDPFZ-SNVBAGLBSA-N 304.393 1.665 5 40 DDBB CC[N+](C)(CC)CCOC(=O)c1nn(C)c(=O)c2ccccc12 5469318 VNSDGZRFTHIPGF-UHFFFAOYSA-N 318.397 1.577 5 40 DDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OC1CCCC1 42485697 UZOSDVLKYVVOMC-UHFFFAOYSA-N 318.285 1.677 5 40 DDBB O=C(C1CCOCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 58394154 BSQBFFSJLYHZNG-UHFFFAOYSA-N 319.361 1.670 5 40 DDBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1snnc1C(=O)O 8750797 YBCPWCRJSILJTK-UHFFFAOYSA-N 309.263 1.789 5 40 DDBB CN(Cc1nc2ccsc2c(=O)[nH]1)c1ccc([N+](=O)[O-])cn1 97147812 PSKMEEYAJYVBIL-UHFFFAOYSA-N 317.330 1.924 5 40 DDBB O=[N+]([O-])c1ccn(C[C@H](O)COc2cccc3[nH]ccc23)n1 195545775 KUHQLJFDHJKQSH-JTQLQIEISA-N 302.290 1.713 5 40 DDBB COC(=O)N1CCC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 65610212 XXFTXWGMPIHPSS-LLVKDONJSA-N 321.333 1.864 5 40 DDBB O=C(N[C@H]1CCSC1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2058207 VBEVRBJEEBBMIC-VIFPVBQESA-N 311.275 1.265 5 40 DDBB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc([N+](=O)[O-])cc1 6526658 WYHSKRUWGGMJJH-UHFFFAOYSA-N 310.273 1.823 5 40 DDBB CC(C)C(=O)N[C@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 97046790 BJIFBZFTFZPZCR-ZDUSSCGKSA-N 321.377 1.828 5 40 DDBB O=C(O)CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O 408963338 NFKBUEIADMTVPH-WTKPLQERSA-N 324.270 1.421 5 40 DDBB COc1ccccc1CN(C)C(=O)Cn1nc([N+](=O)[O-])cc1C 193877362 NXAXEXBRQABUJB-UHFFFAOYSA-N 318.333 1.767 5 40 DDBB Cc1nn(CC(=O)OCC(=O)c2ccc[nH]2)c(C)c1[N+](=O)[O-] 3416729 RSPLCOAIGGZUFM-UHFFFAOYSA-N 306.278 1.162 5 40 DDBB Cc1cc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)ccc1[N+](=O)[O-] 84101490 IPTMGALVQAAQRV-NSHDSACASA-N 305.290 1.180 5 40 DDBB CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 71908289 UGWSAMBQNAZAEB-LBPRGKRZSA-N 307.350 1.892 5 40 DDBB O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1ccnc1 20437048 GQCATSASSUCPCA-UHFFFAOYSA-N 301.306 1.582 5 40 DDBB O=c1nc(SCc2ccccc2[N+](=O)[O-])[nH]c2nc[nH]c12 1707837 NJLOUSIFCRNUHD-UHFFFAOYSA-N 303.303 1.847 5 40 DDBB in-vitro O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 24935587 UCQZDGSSXHBWDG-UHFFFAOYSA-N 323.301 1.931 5 40 DDBB O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@](O)(C(F)(F)F)C1 73921696 OKFOUKCEQQDHON-LLVKDONJSA-N 322.214 1.873 5 40 DDBB Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](CN)C1CC1 95972645 NDFANLDMKSOPAB-LBPRGKRZSA-N 313.379 1.227 5 40 DDBB C[C@H]1CCCCN1Cc1nnnn1Nc1cccc([N+](=O)[O-])c1 804823 ONKRVHGJOQYDJN-NSHDSACASA-N 317.353 1.831 5 40 DDBB O=c1ccc([N+](=O)[O-])cn1Cc1csc(-c2ncccn2)n1 44978108 CPWURNAARCMOLN-UHFFFAOYSA-N 315.314 1.718 5 40 DDBB C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)C1 5137715 JTXNMEKUNHASBL-JTQLQIEISA-N 306.370 1.804 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H]1C[C@H]1C 6641733 JUXJDAGQBDFDSO-SCZZXKLOSA-N 308.290 1.741 5 40 DDBB Cc1ccc(CNc2ncn(CC(=O)N(C)C)n2)cc1[N+](=O)[O-] 195573352 OVBFINDPHGHZFZ-UHFFFAOYSA-N 318.337 1.195 5 40 DDBB O=c1oc2cc([N+](=O)[O-])ccc2n1CCOC[C@@H]1CCCO1 96430154 GKGCYJZMNDIYQV-NSHDSACASA-N 308.290 1.698 5 40 DDBB O=C(O)c1nn(-c2ccccc2[N+](=O)[O-])nc1N1CCCCC1 256045705 APATWFLVIVFPTP-UHFFFAOYSA-N 317.305 1.864 5 40 DDBB C[C@@H](CO)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 5728413 YEQSFKWJGWHAPV-ZETCQYMHSA-N 310.335 1.060 5 40 DDBB CC(=O)Nc1cc(N2CCNC(=O)CC2)c(F)cc1[N+](=O)[O-] 12538562 OPJBAURBNUPZAI-UHFFFAOYSA-N 310.285 1.019 5 40 DDBB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([C@H](O)c2ccccc2)CC1 106096679 GYJQTSBVQZWZCD-RBSFLKMASA-N 304.346 1.624 5 40 DDBB O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCCn1ccnc1 97114287 SSYREWBXXBEPQM-UHFFFAOYSA-N 315.289 1.698 5 40 DDBB O=C(NCc1cccc([N+](=O)[O-])c1)C1(O)Cc2ccccc2C1 73100352 YEWUXDFLGHWVFT-UHFFFAOYSA-N 312.325 1.741 5 40 DDBB C[N+]1(Cc2ccccc2)CCN(c2cn[nH]c(=O)c2Cl)CC1 20030766 FWQRTKYJJORINN-UHFFFAOYSA-O 319.816 1.890 5 40 DDBB NC(=O)c1ccc(COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c([N+](=O)[O-])c1 102132542 UXRUXKYXNNAGKF-KWBADKCTSA-N 316.313 1.949 5 40 DDBB O=C(NCc1nnc2n1CCC2)c1ccc(Cl)cc1[N+](=O)[O-] 32889092 SNDDYWCBRZKPPE-UHFFFAOYSA-N 321.724 1.716 5 40 DDBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ncccn2)CC1 8429750 XRVUTAHPVVBQGK-UHFFFAOYSA-N 319.346 1.409 5 40 DDBB CN(C)CCCNc1nc(N)c([N+](=O)[O-])c(N2CCCCC2)n1 5050599 OAAZSSAIADDEBH-UHFFFAOYSA-N 323.401 1.321 5 40 DDBB C[S@@](=O)c1nncn1Cc1ccc([N+](=O)[O-])cc1Cl 96007240 PSYTUZRYEBZEJM-IBGZPJMESA-N 300.727 1.625 5 40 DDBB Cc1[nH]nc(C(=O)NCC(=O)OCc2ccccc2)c1[N+](=O)[O-] 95393542 YXBALIFZIXGNNB-UHFFFAOYSA-N 318.289 1.100 5 40 DDBB O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCCO2)c1 44842986 JJDHKUIQQLSHJM-LBPRGKRZSA-N 300.336 1.193 5 40 DDBB C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(C)(C)CN(C)C 191796325 RBRCUOKADXXJFA-JTQLQIEISA-N 308.382 1.883 5 40 DDBB O=C(NCc1cccnc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13208172 QADARPYXBGNKHW-UHFFFAOYSA-N 302.246 1.828 5 40 DDBB Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2ncon2)c1 281461750 FVZTXYHSSUWYFL-JTQLQIEISA-N 320.305 1.933 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 5390775 MXAUMPUTBGBHFZ-MRVPVSSYSA-N 315.307 1.350 5 40 DDBB CCn1ncc(CN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)c1C 2778905 HDVNCPRAWMPESS-UHFFFAOYSA-N 320.353 1.365 5 40 DDBB Cc1ccn2c(=O)cc(Cn3cc([N+](=O)[O-])ccc3=O)nc2c1 31671785 WKBTVMITTGPAQF-UHFFFAOYSA-N 312.285 1.121 5 40 DDBB COC1=C(OC)[C@H](OC)CC([N+](=O)[O-])=C1[C@@H](C)OC(C)=O 2061000479 YYBAOPZNLUXTTE-GMSGAONNSA-N 301.295 1.392 5 40 DDBB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 323746 NEGZMRXQWUTVEF-SECBINFHSA-N 314.319 1.080 5 40 DDBB CNc1c([N+](=O)[O-])nn(-c2cccc(C(F)(F)F)c2)[n+]1[O-] 4924280 WMKHQLOLVJYMEZ-UHFFFAOYSA-N 303.200 1.474 5 40 DDBB CC(=O)Nc1cc(N2CCC[C@@H](CO)C2)c(F)cc1[N+](=O)[O-] 12539404 FOAHJHXKGOPVBA-SNVBAGLBSA-N 311.313 1.901 5 40 DDBB Nc1nc(N(Cc2ccco2)C[C@H]2CCCO2)ncc1[N+](=O)[O-] 95421589 UXSNPAYYWKLZIZ-LLVKDONJSA-N 319.321 1.746 5 40 DDBB CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccccc2[N+](=O)[O-])S1 201267 XAAHPNXSLGNUMI-LLVKDONJSA-N 308.319 1.596 5 40 DDBB CCn1ncc(CN(C)C(=O)c2nn(C)c(C)c2[N+](=O)[O-])c1C 2777934 DNCGUCRWHSGHBD-UHFFFAOYSA-N 320.353 1.434 5 40 DDBB CN(CCOC(=O)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 58172130 GLIWFFOJUCIEDH-UHFFFAOYSA-N 304.306 1.622 5 40 DDBB Nc1cc(N)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 4959806 XZGQKHHJWOMPKA-UHFFFAOYSA-N 320.334 1.280 5 40 DDBB Cc1ccc(F)c(-n2nnnc2Cn2cnc([N+](=O)[O-])c2)c1 71796100 ZOPCQQGITGZGTK-UHFFFAOYSA-N 303.257 1.263 5 40 DDBB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc([N+](=O)[O-])c1O 409245941 BERHFQRTXTWVFG-WEVVVXLNSA-N 321.289 1.612 5 40 DDBB CCc1nnc(Sc2ccc(C(=O)OC)cc2[N+](=O)[O-])n1N 70462330 LGCSLTUJSQNGDZ-UHFFFAOYSA-N 323.334 1.400 5 40 DDBB COc1ccc(CN[C@H]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] 97375117 UHESIUPEKFJDTD-NEPJUHHUSA-N 307.350 1.737 5 40 DDBB Cc1c(C(=O)OCC(=O)NC[C@@H]2CCCO2)cccc1[N+](=O)[O-] 3224809 LDKQMLQIVWXKTK-NSHDSACASA-N 322.317 1.355 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)OC)CC1 12607604 LKSHXRGKQRTNAN-UHFFFAOYSA-N 322.317 1.771 5 40 DDBB CCOCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 8746599 FTTRKNOJTBOSGT-UHFFFAOYSA-N 318.333 1.937 5 40 DDBB Cc1cccc(N2CCC[C@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-] 225458860 LORNIJOEFZPVAD-NSHDSACASA-N 313.379 1.421 5 40 DDBB C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CO1 40501688 VLWVZMPLWRGEKK-NXEZZACHSA-N 300.336 1.393 5 40 DDBB O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](C2OCCO2)C1 71185673 NULKNRLGQZZNSH-NSHDSACASA-N 306.318 1.820 5 40 DDBB CC(C)CN1CCO[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 24765154 VAHAKCYBGVAFLK-HNNXBMFYSA-N 321.377 1.681 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 58442128 BZFMCOSVGRRKKU-VXGBXAGGSA-N 322.321 1.778 5 40 DDBB COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c(OC)c1 65713420 FOFVMUVPFQNMDV-UHFFFAOYSA-N 320.305 1.756 5 40 DDBB O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 36047067 WDHWVBYYVWBZGG-IWDIQUIJSA-N 320.688 1.691 5 40 DDBB Nc1ncnc(N)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1750859 MLXPDGQQGJNNAT-UHFFFAOYSA-N 308.685 1.455 5 40 DDBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cnnn2)c1 57561797 HLHKKDVQQHKFDA-UHFFFAOYSA-N 310.273 1.823 5 40 DDBB CCN(CC(=O)N[C@@H](C)COC)Cc1cccc([N+](=O)[O-])c1 48041062 LUHIAIKBOLRSNH-LBPRGKRZSA-N 309.366 1.568 5 40 DDBB CCc1nnnn1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 95962046 MTZHUPZTROSKAN-UHFFFAOYSA-N 301.266 1.242 5 40 DDBB CNC(=O)[C@H]1CCC[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] 420611405 NHVOPAVHKTXLDT-WPRPVWTQSA-N 306.322 1.020 5 40 DDBB O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cnnn2)c1 55797012 NZYKGOTZWCKPSK-UHFFFAOYSA-N 324.300 1.501 5 40 DDBB CN(C)c1noc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 96005608 BZKPURLBRGIYDU-LLVKDONJSA-N 303.278 1.910 5 40 DDBB C[C@H](C(=O)NCCc1ccc(F)cc1)n1cc([N+](=O)[O-])cn1 97048020 USKXMBZJHRRTHC-SNVBAGLBSA-N 306.297 1.850 5 40 DDBB COc1cc(C(=O)/N=c2/sccn2C)c([N+](=O)[O-])cc1OC 15940741 MFIGWJBJBYRGJO-BUHFOSPRSA-N 323.330 1.753 5 40 DDBB CCOC(=O)C1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 12554658 YOARMPAWJUGTDG-UHFFFAOYSA-N 321.333 1.592 5 40 DDBB O=C(CSc1cccc[n+]1[O-])Nc1cccc([N+](=O)[O-])c1 3223375 BZBIHGYCDSGMBQ-UHFFFAOYSA-N 305.315 1.959 5 40 DDBB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)C1 3312273 GXZIRHIOSJBQPT-UWVGGRQHSA-N 310.306 1.849 5 40 DDBB Cc1nn(CCS(=O)(=O)N2CCCCC2)c(C)c1[N+](=O)[O-] 8923483 YVEMDZMGKFFBPP-UHFFFAOYSA-N 316.383 1.224 5 40 DDBB O=C1NC(=S)N/C1=C\c1cc([N+](=O)[O-])ccc1N1CCCC1 5427508 YUARHYGIDPYYIP-FLIBITNWSA-N 318.358 1.540 5 40 DDBB O=[N+]([O-])c1ccc(NCCc2nnc3n2CCC3)c([N+](=O)[O-])c1 84351287 HRILOWKVZAUOGC-UHFFFAOYSA-N 318.293 1.695 5 40 DDBB CC[C@H](O)CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 84733547 YJIVJRTVUXKARS-LBPRGKRZSA-N 319.365 1.135 5 40 DDBB COC(=O)Cn1nc(C)c(CNc2ncccc2[N+](=O)[O-])c1C 95455245 MOKJDUKNRSUKQP-UHFFFAOYSA-N 319.321 1.588 5 40 DDBB CN1CCO[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 79983137 ZOBKSRNTCNAWIS-ZDUSSCGKSA-N 307.350 1.277 5 40 DDBB Cc1ccc(C)c(S(=O)(=O)N(C)c2cnn(C)c2)c1[N+](=O)[O-] 190004613 LBFTVMPHKQZUKS-UHFFFAOYSA-N 324.362 1.770 5 40 DDBB CC1=N[C@H]([C@@H](c2ccccc2Cl)[C@@H](C#N)[N+](=O)[O-])C(=O)N1 198077859 QBKDKGYRKNFCGL-GRYCIOLGSA-N 306.709 1.509 5 40 DDBB COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 69485821 HIOXHOCXVOYHQE-AWEZNQCLSA-N 307.350 1.435 5 40 DDBB Cc1ccc(OCCn2nc3ccccn3c2=O)c([N+](=O)[O-])n1 31842979 NJQYOLPGFJVTEH-UHFFFAOYSA-N 315.289 1.187 5 40 DDBB Cc1cc(N2CCN(CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] 51379293 HVQVYVQCUDNADK-UHFFFAOYSA-N 306.366 1.113 5 40 DDBB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc([N+](=O)[O-])cn1C 21839886 ILTDLHDREOBWOH-PWSUYJOCSA-N 323.349 1.785 5 40 DDBB O=[N+]([O-])c1cnc(NCCNc2ccccn2)nc1NC1CC1 26695648 RQKOSKUYCOKYHI-UHFFFAOYSA-N 315.337 1.878 5 40 DDBB NCCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 70188023 YLFSTLFLORWADM-UHFFFAOYSA-N 313.379 1.344 5 40 DDBB O=C(NCCSc1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O 16498194 IREBURUFTDSMQQ-UHFFFAOYSA-N 319.342 1.805 5 40 DDBB COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1ccccn1 78556360 NHAKARJSZNLJRD-UHFFFAOYSA-N 308.315 1.972 5 40 DDBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101729155 JMXOQCQHCGXZBB-YFKTTZPYSA-N 304.258 1.188 5 40 DDBB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)Nc1cccc([N+](=O)[O-])c1 409376370 XQOANHGRMVLMEQ-FJJYHAOUSA-N 318.285 1.578 5 40 DDBB O=C(CNC(=O)c1ccco1)Nc1ccc(F)c([N+](=O)[O-])c1 3337150 CQIDPXOUBQMJSE-UHFFFAOYSA-N 307.237 1.695 5 40 DDBB Cc1ccc(CN2CCN(c3[nH]ncc3[N+](=O)[O-])CC2)cc1 6400612 DCUVMDRACPNYRL-UHFFFAOYSA-N 301.350 1.949 5 40 DDBB O=C([C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)N1CCOCC1 14330969 XJFZSVIUVLSVGP-LBPRGKRZSA-N 320.349 1.065 5 40 DDBB COC(CNC(=O)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1)OC 72329425 ONTPGTUUGKYDHQ-UHFFFAOYSA-N 320.305 1.334 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(Cl)nc2)c1 71843892 HYUYZWQQCOZARE-UHFFFAOYSA-N 323.692 1.640 5 40 DDBB O=c1oc2ccccc2c(NCCN2CCOCC2)c1[N+](=O)[O-] 19596912 BSXVKOAHJVXUFN-UHFFFAOYSA-N 319.317 1.445 5 40 DDBB CCOc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1O 33395937 KUGRYNHEZVTTAN-HYXAFXHYSA-N 319.273 1.658 5 40 DDBB Cc1ccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] 22228203 OTPVEPDUJWMDHV-RYUDHWBXSA-N 307.350 1.951 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1C(=O)Nc2ncnn21 13691820 LSEMNRXGTVGFLV-JTQLQIEISA-N 316.277 1.017 5 40 DDBB NC1=NC(=O)[C@@](Cc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 71974513 AZLIOACSUFEPOG-MRXNPFEDSA-N 310.313 1.477 5 40 DDBB CC(C)(C)OC(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccn1 98175290 ODAIHQVRGKVBIJ-UHFFFAOYSA-N 310.310 1.244 5 40 DDBB CCN(Cc1ccc([N+](=O)[O-])cc1)[C@]1(C)CCS(=O)(=O)C1 575420444 INYPXUOUCFWIHE-CQSZACIVSA-N 312.391 1.994 5 40 DDBB COC(=O)c1cnc(NCC(C)(C)n2ccnc2)c([N+](=O)[O-])c1 585141085 PBCJKJOEKZDDJB-UHFFFAOYSA-N 319.321 1.820 5 40 DDBB O=[N+]([O-])c1ccc(-c2c[n+]([O-])c3c([n+]2[O-])CCCCC3)cc1 5443126 LKWICEPDKQZRHE-UHFFFAOYSA-N 301.302 1.798 5 40 DDBB CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@H]2C)cc1OC 89988861 HOIOKZADQFZLIM-GXSJLCMTSA-N 324.333 1.909 5 40 DDBB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)cc1[N+](=O)[O-] 9012042 AAVPRMBZFJPHHR-SNVBAGLBSA-N 316.277 1.017 5 40 DDBB CC(C)C[C@H](CNc1c([N+](=O)[O-])ncn1C)N1CCOCC1 12630091 GPAPQMKANBAIJU-GFCCVEGCSA-N 311.386 1.487 5 40 DDBB COc1cc(NC(=O)CNC[C@H]2CCCO2)c(C)cc1[N+](=O)[O-] 6607895 FIKPTRKXHLZXEN-LLVKDONJSA-N 323.349 1.619 5 40 DDBB O=C(Cn1ccc2c([N+](=O)[O-])cccc21)NC1CCOCC1 72302046 SXARRMGYPUGIOS-UHFFFAOYSA-N 303.318 1.845 5 40 DDBB CCCc1nc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)no1 33676729 VRWQLICCBCRBKY-UHFFFAOYSA-N 320.305 1.869 5 40 DDBB Cc1cccc(-n2ccc3nc4ccn(N)c(=O)c4cc3c2=O)c1 40398596 YGBOMYJIXCAWJO-UHFFFAOYSA-N 318.336 1.723 5 40 DDBB Cc1nn(C)c(NCCCc2nnc3ccccn23)c1[N+](=O)[O-] 96446523 JIECNLZZJMAJOU-UHFFFAOYSA-N 315.337 1.724 5 40 DDBB CC(C)(C(=O)NC[C@@](C)(O)c1ccco1)n1cc([N+](=O)[O-])cn1 96459325 BOVVTIPYZXJIRW-CQSZACIVSA-N 322.321 1.143 5 40 DDBB NC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 10255690 OUKFUILIEVCTNR-CQSZACIVSA-N 311.297 1.652 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCO1 10233836 KFMZKZOZQOQSSY-NSHDSACASA-N 300.336 1.361 5 40 DDBB NC(=O)c1ccc(CN2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 58266869 UVJJWFVDQPOOHX-ZFWWWQNUSA-N 319.361 1.837 5 40 DDBB C[C@H](NC(=O)NCc1ncnn1C)c1cccc([N+](=O)[O-])c1 76085611 MRXZDLUBLMDQBA-VIFPVBQESA-N 304.310 1.284 5 40 DDBB COCCn1ccc2nc3ccn(C(C)C)c(=O)c3cc2c1=O 38829415 GZBZIEATNYLUJR-UHFFFAOYSA-N 313.357 1.939 5 40 DDBB O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1 85945452 ZHCOFONAQTYSHS-UHFFFAOYSA-N 315.333 1.276 5 40 DDBB COc1ccc2c3c1O[C@H]1[C@H](O)CC=C[C@@]31CC[N+](C)(C)C2 1280292 DOUIWWHBJPGSBE-JEBQAFNWSA-N 302.394 1.995 5 40 DDBB COc1ccc(C(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1[N+](=O)[O-] 58298722 DZMVGTGRLIJGLU-STQMWFEESA-N 319.361 1.960 5 40 DDBB CCOC(=O)[C@H]1CC(=O)N(c2ccc(OCC)cc2[N+](=O)[O-])C1 70461190 QVGZXBAPXRFXFE-JTQLQIEISA-N 322.317 1.910 5 40 DDBB CC1=N[C@H]([C@H](c2ccccc2Cl)[C@@H](C#N)[N+](=O)[O-])C(=O)N1 198077871 QBKDKGYRKNFCGL-IJLUTSLNSA-N 306.709 1.509 5 40 DDBB NS(=O)(=O)c1cccc(N2Cc3ccccc3C2)c1[N+](=O)[O-] 97115313 BIBVIESLTNRHGU-UHFFFAOYSA-N 319.342 1.762 5 40 DDBB O=[N+]([O-])c1ncn(C[C@@H](O)CO[C@H]2CCCc3ccccc32)n1 95438924 UWMPBTHIBBGFQB-OCCSQVGLSA-N 318.333 1.641 5 40 DDBB CN(Cc1ccc([S@](C)=O)cc1)c1ncc([N+](=O)[O-])c(N)n1 96453909 DPLFIEOFXZXAMK-JOCHJYFZSA-N 321.362 1.341 5 40 DDBB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 102432445 MPQYKYFTJHPPKZ-NTZNESFSSA-N 307.350 1.697 5 40 DDBB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)cc1[N+](=O)[O-] 13687043 BEMKZCMIPFTOCK-SNVBAGLBSA-N 316.277 1.017 5 40 DDBB CCCCN1C[C@@H](C(=O)Nc2ncc([N+](=O)[O-])s2)CC1=O 9698836 VIOSPTNASYQJOH-QMMMGPOBSA-N 312.351 1.638 5 40 DDBB NC1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 36266619 HVWGKZIBBOHWSX-UHFFFAOYSA-N 313.379 1.535 5 40 DDBB CCCn1[nH]cc/c1=N\C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 298809977 SJQPQTUZWATZSQ-RVDMUPIBSA-N 306.326 1.075 5 40 DDBB O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3S(=O)(=O)N2)c1 4193559 QMABFLJXPVOIRB-ZDUSSCGKSA-N 305.315 1.997 5 40 DDBB O=C(CSc1nccc(=O)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 8694084 ZEPJVYOPQJSTPI-UHFFFAOYSA-N 324.293 1.548 5 40 DDBB NC(=O)[C@@H]1CCCN1C1CCN(c2ccccc2[N+](=O)[O-])CC1 89814095 VUHISCQIEDUPDC-HNNXBMFYSA-N 318.377 1.513 5 40 DDBB CCN1C[C@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)CC1=O 69895386 PVFKKKBBSVEPRV-CMPLNLGQSA-N 317.345 1.741 5 40 DDBB Cc1cc(F)c(S(=O)(=O)Nc2ccn(C)n2)cc1[N+](=O)[O-] 71914689 FPYGCJMKCNMECZ-UHFFFAOYSA-N 314.298 1.577 5 40 DDBB CC(C)NC(=O)NC(=O)CN(C)Cc1ccccc1[N+](=O)[O-] 26346680 TYNDYRFDHPXUHU-UHFFFAOYSA-N 308.338 1.261 5 40 DDBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCO1 3234719 IVPQEOYPUORHTG-GFCCVEGCSA-N 308.290 1.047 5 40 DDBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)OC[C@H]1C 106146993 DHGZIGKHENUBBA-VXGBXAGGSA-N 307.350 1.951 5 40 DDBB COc1ccc(NC(=O)COC(=O)c2ccco2)c([N+](=O)[O-])c1 5080252 UCTNIZKJTJPIMV-UHFFFAOYSA-N 320.257 1.992 5 40 DDBB CS[C@H]1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 72287122 WELWGCSZYHMEDD-JQWIXIFHSA-N 312.395 1.972 5 40 DDBB O=[N+]([O-])c1ncn(C[C@@H](O)Cc2ccccc2C(F)(F)F)n1 95438928 NKCUMJIQBCGRLL-VIFPVBQESA-N 316.239 1.809 5 40 DDBB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 3496339 VKPQJNLIMXEZEX-ZCFIWIBFSA-N 315.307 1.047 5 40 DDBB Nc1nc(N)c(CCCCc2ccc([N+](=O)[O-])cc2)c(N)n1 4771825 ZULTXGJBOSJYDO-UHFFFAOYSA-N 302.338 1.697 5 40 DDBB Cn1ccc(NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)n1 12567349 FBMVKKRXQPWLJI-NSCUHMNNSA-N 316.273 1.709 5 40 DDBB CS(=O)(=O)NCCCNc1c(Cl)cccc1[N+](=O)[O-] 4313602 RZIHTVKIHPMKSM-UHFFFAOYSA-N 307.759 1.599 5 40 DDBB NC(=O)COc1c(C=O)cc(Br)cc1[N+](=O)[O-] 218708425 KAYDCPLRLURUTF-UHFFFAOYSA-N 303.068 1.034 5 40 DDBB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c([N+](=O)[O-])c1 17995051 CLINSXWBVGSCLK-WAYYCVMKSA-N 314.297 1.915 5 40 DDBB CCN(CC)CCNC(=O)c1noc2cc([N+](=O)[O-])ccc12 1670686 UVPUPWZAWRFMOG-UHFFFAOYSA-N 306.322 1.808 5 40 DDBB O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2ccc(F)cc2)no1 24415708 RLVCODKYERULIF-UHFFFAOYSA-N 316.248 1.994 5 40 DDBB O=[N+]([O-])c1cnc(N[C@@H]2CCCS(=O)(=O)C2)c(Cl)c1 95403248 GRRUWXIHAWYYPX-SSDOTTSWSA-N 305.743 1.632 5 40 DDBB COC(=O)c1cc(C(=O)O[C@H](C)C(=O)OC)cc([N+](=O)[O-])c1 16206427 LXLZSRFMSDMSIO-SSDOTTSWSA-N 311.246 1.100 5 40 DDBB CS(=O)(=O)c1ccc(N2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 15209946 XZZVJZIENIKFDN-SNVBAGLBSA-N 314.363 1.207 5 40 DDBB CC(C)=CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 96418808 HYHODHKTWGBRMZ-UHFFFAOYSA-N 317.345 1.845 5 40 DDBB CCn1cc(CN(C)C(=O)CCn2cc([N+](=O)[O-])c(C)n2)cn1 2780185 ADYNSNILPCABCO-UHFFFAOYSA-N 320.353 1.365 5 40 DDBB O=[N+]([O-])c1cccc(-c2nc3c(n2O)CCc2c-3no[n+]2[O-])c1 1302507 JPXXNYKMVNASKC-UHFFFAOYSA-N 315.245 1.083 5 40 DDBB CC(C)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 44866585 YNKGMRTZGDALKE-UHFFFAOYSA-N 307.350 1.817 5 40 DDBB CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C(N)=O 69563318 YNRHXDXXQQPDQD-ZDUSSCGKSA-N 307.350 1.832 5 40 DDBB CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 14398789 OEFHCMPDSDEDSS-UHFFFAOYSA-N 313.379 1.229 5 40 DDBB COCn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O 75093670 BAUPMWANQOTQFG-UHFFFAOYSA-N 301.262 1.094 5 40 DDBB COC(=O)c1cc(NC[C@@H](C)N2CCOCC2)ccc1[N+](=O)[O-] 65552035 MDBXRHCFPXQKSK-LLVKDONJSA-N 323.349 1.514 5 40 DDBB O=C(N[C@H]1CN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 96006999 VRRXWEMSXMTELI-AWEZNQCLSA-N 311.297 1.740 5 40 DDBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCCO1 3502635 AREQEOUYVNWRQV-SNVBAGLBSA-N 308.290 1.047 5 40 DDBB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 69097744 ZMHDMSJBTKYAOA-PELKAZGASA-N 308.338 1.925 5 40 DDBB NC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 95432126 CLFAHQMXTKDDNV-SECBINFHSA-N 319.770 1.264 5 40 DDBB CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)nn(C)c1=O 225965522 KBSASLRUVKEPLI-UHFFFAOYSA-N 303.274 1.532 5 40 DDBB Cn1cc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)cn1 195567450 XPCLDYPRNLNQIU-JTQLQIEISA-N 316.317 1.664 5 40 DDBB O=C(NN1CNc2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 1439736 SWZAKAWYZUFRQW-UHFFFAOYSA-N 312.285 1.765 5 40 DDBB CCn1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1=O 47181865 VXTWDJZFTOKMKB-UHFFFAOYSA-N 301.302 1.958 5 40 DDBB Cc1n[nH]c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc1=O 5611904 YWGHTFKXODEPRH-UHFFFAOYSA-N 306.303 1.357 5 40 DDBB COC(=O)c1cc(NC(=O)c2cnn(C)c2)cc([N+](=O)[O-])c1 72288792 GWHYNWOBMKSPIS-UHFFFAOYSA-N 304.262 1.367 5 40 DDBB O=[N+]([O-])c1cc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)cs1 71892943 RFMNHJCGHHSCAV-NSHDSACASA-N 316.404 1.808 5 40 DDBB CCOc1cccc(N2C[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] 96503069 OQECODPPPFTYOD-TZMCWYRMSA-N 307.350 1.513 5 40 DDBB CCNC(=O)C1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 190022303 QXYVWAXGSAYLRN-UHFFFAOYSA-N 319.361 1.926 5 40 DDBB CCOc1cc2c(cc1Cn1cnc([N+](=O)[O-])n1)O[C@@H](C)C2 96408050 KWHTYGZNRDWKCY-VIFPVBQESA-N 304.306 1.957 5 40 DDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100184736 LPJNBUUGOGAAKR-ZDEQEGDKSA-N 316.269 1.046 5 40 DDBB O=C1CCCN1CCCNc1nc2sccn2c1[N+](=O)[O-] 8308667 KCLOMWKQYGXYJT-UHFFFAOYSA-N 309.351 1.728 5 40 DDBB CNC(=O)c1ccc(N(C)[C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])c1 96011443 YXEIVYFULDGAEL-FPVGNUTFSA-N 313.379 1.158 5 40 DDBB CCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N 20842902 MVTQAPBEMDITIR-UHFFFAOYSA-N 322.350 1.193 5 40 DDBB CN(C)c1ccc(COC(=O)c2cnn(C)c2)cc1[N+](=O)[O-] 96502374 DTNMAHANJKJTFY-UHFFFAOYSA-N 304.306 1.751 5 40 DDBB O=C(COC(=O)c1ccccn1)Nc1ccccc1[N+](=O)[O-] 5693531 GRHWLAWHRNSIDU-UHFFFAOYSA-N 301.258 1.785 5 40 DDBB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc([N+](=O)[O-])cc1 3071836 BSCIGJVOYMDQHV-UHFFFAOYSA-N 311.253 1.731 5 40 DDBB COc1cc(C(=O)n2ccc([N+](=O)[O-])n2)cc(OC)c1OC 78640 BMMMAGPCYBNBKQ-UHFFFAOYSA-N 307.262 1.506 5 40 DDBB CCOC(=O)C1=C(C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 3011116 AEXFNQXBSOSWCF-LLVKDONJSA-N 305.290 1.786 5 40 DDBB Cc1ccnc2nc(C(=O)OCc3ccc([N+](=O)[O-])cc3)nn12 7562931 LXCOWJMZHKPNSZ-UHFFFAOYSA-N 313.273 1.698 5 40 DDBB CCN1CCO[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 2438098 IXIDKVIQJYBWLC-LBPRGKRZSA-N 307.306 1.171 5 40 DDBB O=c1[nH]c(C[N+]23CCN(CC2)CC3)nc2sc3c(c12)CCC3 6648380 HBOSOGGANLFGKI-UHFFFAOYSA-O 317.438 1.119 5 40 DDBB CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCS(=O)CC1 72311305 BVYCTCPSMJDFMN-UHFFFAOYSA-N 311.363 1.970 5 40 DDBB Cn1cnc([N+](=O)[O-])c1NC[C@@H](Cc1ccc(F)cc1)C(N)=O 69841054 VEIKBRKPJZJVFA-SNVBAGLBSA-N 321.312 1.224 5 40 DDBB Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CN)C2CC2)c1C 97229423 ADOWKUXGZKWSFO-LLVKDONJSA-N 313.379 1.227 5 40 DDBB Nc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)n1 5642299 HRHVSNHNKWRUEY-UHFFFAOYSA-N 308.275 1.522 5 40 DDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN2CCCC[C@@H]12 60722332 ZCLZHUCGMCWEDK-GJZGRUSLSA-N 303.362 1.880 5 40 DDBB NC(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 97109106 DCXLDIAYNYIAHX-UHFFFAOYSA-N 316.269 1.756 5 40 DDBB O=C(Nc1nnc(C2=COCCO2)o1)c1cccc([N+](=O)[O-])c1 4264387 PRZQUBAZYPLWNN-UHFFFAOYSA-N 318.245 1.575 5 40 DDBB CCc1ccc(C(=O)NC2(C(N)=O)CCCC2)cc1[N+](=O)[O-] 76093370 OSUPGGGRGPPVCY-UHFFFAOYSA-N 305.334 1.685 5 40 DDBB O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] 71883035 FYGOPLWBHSLLPV-BREBYQMCSA-N 311.288 1.325 5 40 DDBB CN(Cc1nnc2n1CCC2)C(=O)c1ccc([N+](=O)[O-])cc1 11120785 JGSMCTYHWGEUHU-UHFFFAOYSA-N 301.306 1.405 5 40 DDBB C[C@H]1C[C@H]1C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 97046799 XVLPQELVSYBDCM-WCQYABFASA-N 319.361 1.392 5 40 DDBB CC(C)(C)OC(=O)[C@H](C(=O)O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1 71603350 FYKKSMQJFKRFLB-RYUDHWBXSA-N 324.333 1.507 5 40 DDBB CC(C)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 69456164 GUZIHLDVWRYPCF-LBPRGKRZSA-N 320.393 1.873 5 40 DDBB O=[N+]([O-])c1cccc2c(S(=O)(=O)N3CCOCC3)cccc12 194504 RPCBOPNCUSJVCG-UHFFFAOYSA-N 322.342 1.769 5 40 DDBB COC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C 335120 QCWMUVKEOHCAFX-NSHDSACASA-N 316.335 1.071 5 40 DDBB CCN1CCC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 60452615 PKQWAJNGKLRFAY-LLVKDONJSA-N 317.349 1.499 5 40 DDBB CN(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 55520192 RECJWZBUHYUGGJ-UHFFFAOYSA-N 319.361 1.913 5 40 DDBB CCN1C[C@@H](C(=O)N2CCCc3c2cccc3[N+](=O)[O-])CC1=O 95436681 UCRXRGZHXTVPBU-NSHDSACASA-N 317.345 1.742 5 40 DDBB Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2(C(N)=O)CCCC2)c1 195576484 IERNVVNURSTAJZ-UHFFFAOYSA-N 305.334 1.773 5 40 DDBB Cc1ccc(CN(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 5039035 UODUPXWGVONLSV-UHFFFAOYSA-N 315.329 1.724 5 40 DDBB COC1=C(OC)[C@@H](OC)CC([N+](=O)[O-])=C1[C@H](C)OC(C)=O 2061000482 YYBAOPZNLUXTTE-XVKPBYJWSA-N 301.295 1.392 5 40 DDBB O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC(=O)N(CC2CC2)C1 60371713 LNCZAQBVUKMQSJ-SNVBAGLBSA-N 321.308 1.931 5 40 DDBB NC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 69737886 QTILDPAGFIBQRG-MALLOTDXSA-N 321.308 1.471 5 40 DDBB Nc1nc(N2CC[C@@H](OCc3ccccn3)C2)ncc1[N+](=O)[O-] 89883767 SPJWOLOAKLRYBV-LLVKDONJSA-N 316.321 1.158 5 40 DDBB Cn1cc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cn1 25305403 WMVVZFFNCRKGRJ-UHFFFAOYSA-N 317.305 1.087 5 40 DDBB CCN(Cc1csc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 69417689 XEWVZPXRUKDPFZ-JTQLQIEISA-N 304.393 1.665 5 40 DDBB CC[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCO1 69454828 ARNHVVPDJSVOSZ-NSHDSACASA-N 314.363 1.703 5 40 DDBB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c([N+](=O)[O-])c1 4504740 YJUXAHHGLSJLAO-MRVPVSSYSA-N 318.738 1.165 5 40 DDBB CC[C@@H](C)[C@@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])C(N)=O 84721409 LBQBHKQALAQANF-PRHODGIISA-N 308.338 1.266 5 40 DDBB O=[N+]([O-])c1cc(F)c(N2CCNCC2)cc1Br 642887054 HFVDVIDAFGGRAL-UHFFFAOYSA-N 304.119 1.906 5 40 DDBB Nc1nc(NCc2ccco2)nc(N2CCCC2)c1[N+](=O)[O-] 5142035 JLQKIPRBSDZAAV-UHFFFAOYSA-N 304.310 1.772 5 40 DDBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 5344336 JMXOQCQHCGXZBB-KXNHARMFSA-N 304.258 1.188 5 40 DDBB Cc1nc2n(n1)[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2 20716325 KVJQQIXJFZELSJ-JTQLQIEISA-N 316.277 1.017 5 40 DDBB C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 3455541 FSKPYEMQRPLHCN-VIFPVBQESA-N 303.274 1.945 5 40 DDBB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C31CCCCC1 19320479 VFWIXQPDVNKURO-UHFFFAOYSA-N 324.381 1.349 5 40 DDBB CC(C)(C)OC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](N)CC(=O)O 54965043 ONVONVHJHISQMZ-WCQYABFASA-N 324.333 1.822 5 40 DDBB CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)c1c([N+](=O)[O-])cnn1C 92769838 KORSNSKHDNNRBF-BIMULSAOSA-N 324.381 1.898 5 40 DDBB Cn1cncc1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 97098148 LYCCKAAAJMBDNA-UHFFFAOYSA-N 308.725 1.954 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCOC(C)C 14397353 IESLITZBKISAHU-UHFFFAOYSA-N 316.379 1.997 5 40 DDBB Cn1cnnc1SC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16382662 XSKVBRJKEZOAMX-UHFFFAOYSA-N 309.263 1.564 5 40 DDBB Nc1nc(-c2cccc([N+](=O)[O-])c2)c(Br)c(=O)[nH]1 16952196 FTRWXOPDEGKEOI-UHFFFAOYSA-N 311.095 1.690 5 40 DDBB O=C(O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 2024388 GGSDCOASHFUHDF-WEVVVXLNSA-N 308.271 1.716 5 40 DDBB O=C1NC2=C(C(=O)OC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 4981691 AEQDVVGOMNZHSQ-SNVBAGLBSA-N 309.665 1.413 5 40 DDBB CCOC(=O)Cn1c(C)nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc21 3900792 NFQQWISGMNYRDJ-UHFFFAOYSA-N 308.250 1.724 5 40 DDBB COC[C@]1(C)NC(=O)N(Cc2c(F)cccc2[N+](=O)[O-])C1=O 69843820 IMWXTHCRQLYTMC-ZDUSSCGKSA-N 311.269 1.191 5 40 DDBB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1 40114814 XSTUVDAWWKNVCV-UBQVSUSGSA-N 317.370 1.999 5 40 DDBB Cc1cc([N+](=O)[O-])cn(CC[S@@](=O)c2ccccc2)c1=O 96480838 WPITWZKHCLOQMO-NRFANRHFSA-N 306.343 1.873 5 40 DDBB Cc1nn(C)c(N2CCCN(c3nccs3)CC2)c1[N+](=O)[O-] 58158429 VIDCJRFJAFWBKT-UHFFFAOYSA-N 322.394 1.810 5 40 DDBB Cc1ccoc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 16555813 JQUXZAZXWYUPIY-UHFFFAOYSA-N 304.258 1.952 5 40 DDBB CCOCCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 20484356 GQXMMSYDYOUURZ-UHFFFAOYSA-N 302.352 1.441 5 40 DDBB Cn1cnc([N+](=O)[O-])c1NCc1ccc(N2CCCC2)nc1 32779266 FRYGZWDGOUNMHI-UHFFFAOYSA-N 302.338 1.936 5 40 DDBB C[C@H]1CN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 3445090 NNYJMOVHYXIDMI-UWVGGRQHSA-N 312.297 1.749 5 40 DDBB C/C=C/C(=O)OCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C 5612751 OUGFYYUXORERIX-SNAWJCMRSA-N 308.290 1.970 5 40 DDBB CN(CC(C)(C)C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O 96007354 SGRDKHYJYUXBTA-UHFFFAOYSA-N 301.368 1.725 5 40 DDBB COc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 72332105 YFXFXSKQPBSWRB-UHFFFAOYSA-N 304.306 1.425 5 40 DDBB Cc1ccccc1[C@@H](O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 79028475 KKNLDYFFBDZOLW-AWEZNQCLSA-N 318.333 1.340 5 40 DDBB CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 4504703 GMFDHWGPYMDROE-LBPRGKRZSA-N 312.347 1.244 5 40 DDBB O=[N+]([O-])c1ccccc1NC[C@H]([C@H]1CCOC1)N1CCOCC1 24203857 ZDJZTZRRMMYCEW-XJKSGUPXSA-N 321.377 1.744 5 40 DDBB CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1Br 77939883 CLNURLPGLVJFQN-UHFFFAOYSA-N 303.112 1.824 5 40 DDBB C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Cn1cccn1 56812057 NMLNNJCFZBPHIS-SNVBAGLBSA-N 306.297 1.997 5 40 DDBB CC1(C)Cc2cccc(OCCNC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2O1 44502479 HUQNOPKQHOBVBT-NWDGAFQWSA-N 320.345 1.560 5 40 DDBB CC(=O)N1C(=O)NC(C)=C([N+](=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1 5296205 OHWCHLOJRAAHTI-LBPRGKRZSA-N 320.261 1.716 5 40 DDBB O=C(COC(=O)c1cnccn1)Nc1ccc([N+](=O)[O-])cc1 4947414 WNKWEVLTHTYNPC-UHFFFAOYSA-N 302.246 1.180 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cnn(C)c1 29375635 IHVLDCZHCYYFDV-UHFFFAOYSA-N 304.306 1.751 5 40 DDBB Cc1cnc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)o1 97162591 SBXGGKYVQQXLMB-UHFFFAOYSA-N 303.321 1.431 5 40 DDBB CCC1(CC)[C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1OC 95423444 LUENDJLRFYSKFP-WDEREUQCSA-N 324.381 1.960 5 40 DDBB CCN(CC)CCn1cc(Br)cc([N+](=O)[O-])c1=O 97377184 PAQZEWVJFMMORY-UHFFFAOYSA-N 318.171 1.861 5 40 DDBB CCOC(=O)C(C(=O)OCC)C(=O)c1ccccc1[N+](=O)[O-] 5324945 LXZPRMYHTALASD-UHFFFAOYSA-N 309.274 1.520 5 40 DDBB NC(=O)c1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 9248077 TWTLBHXLWAUGEM-UHFFFAOYSA-N 315.285 1.711 5 40 DDBB O=C(CCn1cnc([N+](=O)[O-])c1)NC(=O)NCc1ccccc1 24716035 RNSXHFHZVDYUKJ-UHFFFAOYSA-N 317.305 1.207 5 40 DDBB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc([N+](=O)[O-])o1 3502848 BEIGLUXSIPRKEF-UHFFFAOYSA-N 321.270 1.614 5 40 DDBB O=[N+]([O-])c1ccc(N2CCN(CCc3ccncc3)CC2)cn1 26481263 QZXBIVXDDIZIFN-UHFFFAOYSA-N 313.361 1.750 5 40 DDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccco1 32400520 YUUVGLJJASFIBI-UHFFFAOYSA-N 312.303 1.675 5 40 DDBB Cc1cc(C(=O)NCC2(C)OCCCO2)c(N)c([N+](=O)[O-])c1 191136720 FPXYDKFRHFKFMI-UHFFFAOYSA-N 309.322 1.368 5 40 DDBB CCc1nnc2sc(CCn3nc(C)c([N+](=O)[O-])c3C)nn12 20606304 HALHPHNLHFZUBO-UHFFFAOYSA-N 321.366 1.712 5 40 DDBB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 101543537 IEVSXMDYTCGQRG-LLLJDESDSA-N 318.373 1.791 5 40 DDBB CC(C)Cn1ncnc1Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 97047705 PNNQPQHUPMSMGP-UHFFFAOYSA-N 317.305 1.799 5 40 DDBB NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC1(C2CC2)CC1 96501145 SGZVAQMYOHCZBP-UHFFFAOYSA-N 311.363 1.844 5 40 DDBB COc1ccc([N+](=O)[O-])cc1C(=O)NCCC(=O)N1CCCC1 32744685 AELBYISHIRIARK-UHFFFAOYSA-N 321.333 1.346 5 40 DDBB CC1(C)OCC(COC(=O)Nc2cccnc2)([N+](=O)[O-])CO1 2550501 VYBUBTKELPEYFE-UHFFFAOYSA-N 311.294 1.429 5 40 DDBB CC(C)N1C[C@@H](C(=O)Nc2ccc(F)cc2[N+](=O)[O-])CC1=O 75128292 JCOSSAIXPCBKKE-VIFPVBQESA-N 309.297 1.929 5 40 DDBB Cc1nn(C)c(C)c1OCC(=O)N(C)c1cccc([N+](=O)[O-])c1 95436574 OLSUBXNXEVIHNI-UHFFFAOYSA-N 318.333 1.987 5 40 DDBB Cc1ccc(C(=O)NC2(CC(=O)O)CCOCC2)cc1[N+](=O)[O-] 95424857 PPSFWDPARBQPBW-UHFFFAOYSA-N 322.317 1.657 5 40 DDBB NCCC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 70188053 LKHPKUMONDRSQE-UHFFFAOYSA-N 313.379 1.344 5 40 DDBB Cn1cc(S(=O)(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 80282519 HAXXVKVIRVCGJM-UHFFFAOYSA-N 324.362 1.542 5 40 DDBB Cc1cc([N+](=O)[O-])nn1CC(=O)NCCO[C@H]1CCCC[C@@H]1C 193874127 AOTNOHSMWCQSFE-AAEUAGOBSA-N 324.381 1.811 5 40 DDBB O=[N+]([O-])c1cnn(-c2ccc3nnc(-c4ccccc4)n3n2)c1 84483563 RZAVXPVWQVKCJX-UHFFFAOYSA-N 307.273 1.885 5 40 DDBB CC(=O)OC(OC(C)=O)c1coc2ccc([N+](=O)[O-])cc2c1=O 6318073 GPWPNZYOMBGKAC-UHFFFAOYSA-N 321.241 1.826 5 40 DDBB C[N+]1([C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)CCCCC1 6565140 KNYSSDLUZNPUIE-LSDHHAIUSA-N 301.476 1.268 5 40 DDBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(C)CC1 22001649 WHFRIZKTVAAUGE-UHFFFAOYSA-N 322.365 1.057 5 40 DDBB Cc1cc(C(=O)NCCCNc2ncccn2)ccc1[N+](=O)[O-] 42757211 NCVPYIOQBKEUTQ-UHFFFAOYSA-N 315.333 1.925 5 40 DDBB C[C@@H](Cc1ccsc1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 95426127 RRXLNJRKDFYMND-JTQLQIEISA-N 323.378 1.783 5 40 DDBB CN(C)Cc1nc(CSCCN/C(N)=C/[N+](=O)[O-])cs1 146725039 MNTKYXOVQKHNBQ-BJMVGYQFSA-N 317.440 1.062 5 40 DDBB COc1cc(OC)c([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1OC 128883 XXXOQNAXNXKJPB-OTYXRUKQSA-N 310.306 1.309 5 40 DDBB Cc1cc(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)no1 45790930 ISZHXMLHXXNIJA-UHFFFAOYSA-N 304.262 1.777 5 40 DDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCCC1 32400528 NZFKDGPHSWWZNW-UHFFFAOYSA-N 300.336 1.778 5 40 DDBB CN(C)CCn1nnnc1SCc1ccccc1[N+](=O)[O-] 69563046 GARDHYRVYHZNQC-UHFFFAOYSA-N 308.367 1.435 5 40 DDBB CC(C)CNc1nc(N)c([N+](=O)[O-])c(NC[C@H]2CCCO2)n1 5183627 IHBHYSXWDLWDQT-SECBINFHSA-N 310.358 1.626 5 40 DDBB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] 101177213 CKMSJAAODSOZCP-ZNIXKSQXSA-N 318.329 1.912 5 40 DDBB O=C(NC[C@H]1COCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 65657044 HZIJOEXJLYOOSU-JTQLQIEISA-N 305.290 1.221 5 40 DDBB Nc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1[N+](=O)[O-] 5658388 IFSFBILYFBJKBF-UHFFFAOYSA-N 319.273 1.243 5 40 DDBB Cn1cc([C@](C)(O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 78869942 DUUAIBKTPHMKPH-CQSZACIVSA-N 319.321 1.358 5 40 DDBB CN1C[C@@]2([N+](=O)[O-])CC=C(Oc3ccccc3)[C@]([N+](=O)[O-])(C1)C2 100097744 BEASEFJNKGANKI-HUUCEWRRSA-N 319.317 1.720 5 40 DDBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)OC[C@@H]1C 58174949 DHGZIGKHENUBBA-NWDGAFQWSA-N 307.350 1.951 5 40 DDBB COc1ccc([N+](=O)[O-])c(N2CC[C@@H](Cc3cnn(C)c3)C2)n1 80230110 VQMTUUNYEMEMPY-NSHDSACASA-N 317.349 1.801 5 40 DDBB O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@](O)(C(F)(F)F)C1 77990748 CFETUFXGBPJGEQ-NSHDSACASA-N 304.224 1.734 5 40 DDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H]1Cn1cnc2ccccc21 89878666 BMYRNXSILSAQLG-ZOWXZIJZSA-N 314.345 1.693 5 40 DDBB CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nccn2ccnc12 96436252 IBIGGRZUABRXAO-UHFFFAOYSA-N 311.301 1.910 5 40 DDBB O=[N+]([O-])c1cccc(F)c1CN1CCN(C[C@H]2CCOC2)CC1 96455416 IXGSBIPDALYOLX-CYBMUJFWSA-N 323.368 1.888 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 4156694 DUMHJZLKIUUULP-RNJOBUHISA-N 300.270 1.346 5 40 DDBB CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1 33040308 OJTRGUWSYFEJQT-UHFFFAOYSA-N 322.365 1.827 5 40 DDBB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc([N+](=O)[O-])c1 6287550 NRFCGQVJZCSKJZ-UHFFFAOYSA-N 310.273 1.823 5 40 DDBB CN(C)c1nccc(CNc2nc3sccn3c2[N+](=O)[O-])n1 95463007 MOLULRWKBYVDNM-UHFFFAOYSA-N 319.350 1.772 5 40 DDBB C[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 69148969 WGWIPLJGDWPWKM-TXEJJXNPSA-N 323.349 1.792 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@@H]([C@H]2CCOC2)N2CCCC2)nc1 48301258 NIVMVRMPASJWCZ-JSGCOSHPSA-N 306.366 1.903 5 40 DDBB C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@H]2CC[C@H]1C2 104615430 ZONYYYGPRLBDKH-ZJQBRPOHSA-N 319.361 1.697 5 40 DDBB Cc1sc(C(=O)N(C)CC(=O)N2CCCC2)cc1[N+](=O)[O-] 58223907 RCNKZTOFTCSKLE-UHFFFAOYSA-N 311.363 1.659 5 40 DDBB CCN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 8055326 KNPKEUNEZQZBRE-UHFFFAOYSA-N 313.379 1.140 5 40 DDBB O=C(NC[C@@H]1CCCO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 45857509 RSMGMWAROCRUPE-AWEZNQCLSA-N 316.317 1.689 5 40 DDBB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 58163320 ZMHDMSJBTKYAOA-QPUJVOFHSA-N 308.338 1.925 5 40 DDBB O=C([C@@H]1CCCN1c1ncccc1[N+](=O)[O-])N1CCSCC1 72281917 VVJCUUBXJGFRKU-LBPRGKRZSA-N 322.390 1.534 5 40 DDBB O=C(c1ccncc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 72288668 JUTIFKXLAKQSKM-GFCCVEGCSA-N 313.317 1.711 5 40 DDBB CC(C)[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCS1 96432283 WYBRHKFAHATXDT-GFCCVEGCSA-N 312.395 1.781 5 40 DDBB CN(C)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 35101467 PRMWTLZKELNBAC-UHFFFAOYSA-N 321.786 1.478 5 40 DDBB CCn1ncc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)c1C 2794140 GEXFXAHRQUIILK-UHFFFAOYSA-N 306.326 1.653 5 40 DDBB O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC(=O)N(CC2CC2)C1 59742010 DSCWOPFKATZMKA-JTQLQIEISA-N 321.308 1.931 5 40 DDBB Cc1cc(C)n(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 54758546 CEMKPRQKGLLYBF-UHFFFAOYSA-N 300.318 1.997 5 40 DDBB Cc1nn([C@H]2CCCN(c3cnn(C)c3)C2=O)c(C)c1[N+](=O)[O-] 76062501 GVERSGCDWWASAR-LBPRGKRZSA-N 318.337 1.510 5 40 DDBB Cc1cnc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 97115515 NJGAZNOAXGLGAP-UHFFFAOYSA-N 311.319 1.511 5 40 DDBB C[C@H]1CN(CCNC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 26225208 HWIIYHZVMLUTLH-TXEJJXNPSA-N 322.365 1.826 5 40 DDBB CN(C)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3887725 TZBCQPREQVMHBZ-UHFFFAOYSA-N 307.759 1.088 5 40 DDBB O=C(c1cscn1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 76017988 VVIADAUSSQCUBQ-VIFPVBQESA-N 319.346 1.773 5 40 DDBB C[C@H]1C[C@@H](C)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 28199729 BJCBSTOQBDSRIV-TXEJJXNPSA-N 319.361 1.829 5 40 DDBB Cc1nn(CCC(=O)N(C)Cc2cnn(C)c2C)cc1[N+](=O)[O-] 2780529 VLNKXOMOLFHQLA-UHFFFAOYSA-N 320.353 1.190 5 40 DDBB COc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc(OC)c1 2763776 XYKNQGOZHZNJDI-UHFFFAOYSA-N 306.278 1.447 5 40 DDBB O=[N+]([O-])c1cc(I)cc(C2=NCCN2)c1 3163596 FJYYTWZMQQICHX-UHFFFAOYSA-N 317.086 1.549 5 40 DDBB Cc1ccc(-c2nnc3c4ccccc4[nH]c(=O)n3c2=O)cc1 12863409 CMARPSDAUCOPJV-UHFFFAOYSA-N 304.309 1.906 5 40 DDBB COCCCNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1 5076555 CMKYPYDCKHLZCO-UHFFFAOYSA-N 322.325 1.621 5 40 DDBB Nc1ncnc(Sc2nnnn2-c2ccccc2)c1[N+](=O)[O-] 8954639 CLFZSLUDERSTJW-UHFFFAOYSA-N 316.306 1.094 5 40 DDBB CSc1nnc(C)n1NC(=O)COc1ccccc1[N+](=O)[O-] 33404831 GRMURYZEDIPAAP-UHFFFAOYSA-N 323.334 1.366 5 40 DDBB Cc1cc2c(cnc3ncnn32)c(=O)n1-c1ccccc1[N+](=O)[O-] 38783933 VSDBJFATOJAMGF-UHFFFAOYSA-N 322.284 1.645 5 40 DDBB Cc1cc(C(=O)NCC(=O)N(C)CC(F)F)ccc1[N+](=O)[O-] 225572689 KBIMLQYCRLYMMQ-UHFFFAOYSA-N 315.276 1.357 5 40 DDBB Cn1c(SCC(=O)O)nnc1-c1cc([N+](=O)[O-])ccc1F 228925294 LFGHUOXSYZUNSM-UHFFFAOYSA-N 312.282 1.706 5 40 DDBB NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 2275505 PUFYHEXSPYXMCQ-FLIBITNWSA-N 301.258 1.444 5 40 DDBB O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 18256286 WDHWVBYYVWBZGG-USZNOCQGSA-N 320.688 1.691 5 40 DDBB O=C(COC(=O)c1cccnc1)Nc1cc([N+](=O)[O-])ccc1F 3245502 OEVAYPYMGHBJMJ-UHFFFAOYSA-N 319.248 1.924 5 40 DDBB CN(C)Cc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 48169148 RYEJRQZQHSSWDP-UHFFFAOYSA-N 303.322 1.492 5 40 DDBB CCN(CC)c1nc(Nc2ccc([N+](=O)[O-])cc2)nc(=O)[nH]1 6160156 QJLDCUKKKQIKPO-UHFFFAOYSA-N 304.310 1.663 5 40 DDBB CC(=O)NC1(C(=O)OCCn2c([N+](=O)[O-])cnc2C)CCCC1 71920422 RMJDVWPGWFUENF-UHFFFAOYSA-N 324.337 1.092 5 40 DDBB O=C(c1cccc([N+](=O)[O-])c1O)N1CCC(n2cccn2)CC1 89768213 FTKRXRDUQUIALV-UHFFFAOYSA-N 316.317 1.974 5 40 DDBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 4960450 YOGSJFLXWFWPDD-UHFFFAOYSA-N 300.270 1.930 5 40 DDBB CC(C)(CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 32474515 GIMKIBFWXOCLIE-UHFFFAOYSA-N 302.334 1.885 5 40 DDBB COc1ccc(C(=O)Nn2c(C)nnc2SC)cc1[N+](=O)[O-] 6320433 HVKYQBGIJMUNLT-UHFFFAOYSA-N 323.334 1.609 5 40 DDBB O=C1[C@H]2O[C@]2(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@@H]12 101277543 NYGHMTVUQBCABQ-LMJWTLRHSA-N 311.293 1.779 5 40 DDBB CCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 25121503 ASDOVVCLFSWNNS-UHFFFAOYSA-N 305.334 1.583 5 40 DDBB O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](n2cccn2)C1 97109058 TWGTZBXKJUPBFD-LBPRGKRZSA-N 316.317 1.974 5 40 DDBB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1ccc([N+](=O)[O-])cc1 95397346 OLNJNXYFYDEDBS-WFASDCNBSA-N 321.377 1.710 5 40 DDBB O=C([C@@H]1CCCN1c1ccncc1[N+](=O)[O-])N1CCSCC1 79089678 JNZQODFRHSBYDY-LBPRGKRZSA-N 322.390 1.534 5 40 DDBB CCCn1ccc2nc3ccn(-c4ccn[nH]4)c(=O)c3cc2c1=O 40399036 FNBRWDFXMFTEMT-UHFFFAOYSA-N 321.340 1.834 5 40 DDBB CCO[C@@H](C)c1noc(Cn2cc([N+](=O)[O-])c(C)cc2=O)n1 96474485 KQNTUGUDPMAMLR-VIFPVBQESA-N 308.294 1.594 5 40 DDBB CCOC(=O)C[C@H](n1cc([N+](=O)[O-])c(OC)n1)C(F)(F)F 685936703 RIWRGKUZSLPSQF-ZETCQYMHSA-N 311.216 1.857 5 40 DDBB CCn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 6373247 CCIFWKKTXRUUJE-UHFFFAOYSA-N 310.335 1.920 5 40 DDBB CS(=O)(=O)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 10043033 VPGRCFBEZFVPDN-UHFFFAOYSA-N 313.379 1.108 5 40 DDBB C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc12)N1CCOCC1 71913873 WPUWWWWFONZAFO-LLVKDONJSA-N 317.349 1.671 5 40 DDBB CS(=O)(=O)N[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 131427876 TYTZISBEXAMMBL-SECBINFHSA-N 317.342 1.252 5 40 DDBB CC(C)CNc1nc(N)c([N+](=O)[O-])c(NC[C@@H]2CCCO2)n1 5183613 IHBHYSXWDLWDQT-VIFPVBQESA-N 310.358 1.626 5 40 DDBB Cc1cc(S(=O)(=O)N2CCOCC2(C)C)ccc1[N+](=O)[O-] 172018481 AMJQSHAJJIRCDX-UHFFFAOYSA-N 314.363 1.703 5 40 DDBB C[C@@H](CCN1CCCC1=O)NC(=O)Cc1cccc([N+](=O)[O-])c1 96425159 GVEUEYZSWMCTSS-LBPRGKRZSA-N 319.361 1.655 5 40 DDBB COc1ccc(-n2nc([N+](=O)[O-])c(N3CCCC3)[n+]2[O-])cc1 5005444 WGHVAAWYYFECJR-UHFFFAOYSA-N 305.294 1.023 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 169682572 BVLNLBMVGURYKE-NDBYEHHHSA-N 300.270 1.346 5 40 DDBB COc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@H](C2)[N+](C)(C)CC[C@]341 6624428 MLIBORQWQWVNCO-FVCITADKSA-N 314.405 1.646 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(N2CCCCCC2)n1 4305943 TUHLCFBWCFPADA-UHFFFAOYSA-N 310.358 1.406 5 40 DDBB CCc1nnc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 72664963 QDLCJWJOOVIMSB-SNVBAGLBSA-N 318.337 1.622 5 40 DDBB C[N@@+]1([O-])CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 255962511 AMAPEXTUMXQULJ-NTNJBCAWSA-N 301.342 1.211 5 40 DDBB in-vitro C[C@@]1([N+](=O)[O-])CS(=O)(=O)C[C@]1(C)OC(=O)c1ccccc1 5534891 AFXJUGLTXJFMGT-OLZOCXBDSA-N 313.331 1.066 5 40 DDBB CC(C)NC(=O)CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O 76061578 VATSYDFFADLHAN-UHFFFAOYSA-N 322.321 1.488 5 40 DDBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccco1 3263587 GQBFFSLYXUFBEW-UHFFFAOYSA-N 304.258 1.661 5 40 DDBB CCN(CC(=O)N[C@H](C)COC)Cc1cccc([N+](=O)[O-])c1 48041065 LUHIAIKBOLRSNH-GFCCVEGCSA-N 309.366 1.568 5 40 DDBB Cc1cnn(CCNC(=O)COc2cccc([N+](=O)[O-])c2)c1 84265296 OOWDDBGNMRFTDY-UHFFFAOYSA-N 304.306 1.295 5 40 DDBB C[C@@H]1CCc2ccccc2N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 78949900 QPBBHYOLSDJREN-IUODEOHRSA-N 316.361 1.994 5 40 DDBB COc1ccc(CN[C@@H]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] 97375116 UHESIUPEKFJDTD-VXGBXAGGSA-N 307.350 1.737 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H]1CCCO1 28326717 WRPTWSKKHJBSPR-CMPLNLGQSA-N 314.363 1.749 5 40 DDBB COC[C@@]1(C)NC(=O)N(Cc2c(F)cccc2[N+](=O)[O-])C1=O 69843822 IMWXTHCRQLYTMC-CYBMUJFWSA-N 311.269 1.191 5 40 DDBB CS(=O)(=O)NCCCNc1ccc([N+](=O)[O-])cc1Cl 4413882 XJJIPSISGXBGDW-UHFFFAOYSA-N 307.759 1.599 5 40 DDBB O=C1CCC(=O)N1CCN1CCc2ccc([N+](=O)[O-])cc2C1 88606382 DIGCZFWESYYHOR-UHFFFAOYSA-N 303.318 1.102 5 40 DDBB Cc1nc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 42114372 MGNSHFFLZKYKEE-UHFFFAOYSA-N 313.360 1.838 5 40 DDBB NC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 512452 QCDXDUCZTOFJKB-UHFFFAOYSA-N 315.285 1.711 5 40 DDBB COc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)nn1 6441765 FPFXBXIAAXBDFN-UHFFFAOYSA-N 300.230 1.194 5 40 DDBB O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 45059891 KQKZRSYGBGNFBK-ZIAGYGMSSA-N 318.329 1.479 5 40 DDBB CCCNC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 12922519 JERXYFQKDKDNRQ-MRVPVSSYSA-N 313.741 1.893 5 40 DDBB Cc1nonc1OCCNCCNc1ccc([N+](=O)[O-])cc1 4182682 GDMVRFRBCIAXEQ-UHFFFAOYSA-N 307.310 1.367 5 40 DDBB COc1cccc(CNC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)c1 97048013 LZFLHGLBPWEDFB-JTQLQIEISA-N 304.306 1.677 5 40 DDBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccco1 9607558 AXECRAPCNSXLDA-SNVBAGLBSA-N 317.301 1.623 5 40 DDBB COCCN(CCOC)CC(=O)Nc1ccccc1[N+](=O)[O-] 23329953 VARVCMFZAWNLTL-UHFFFAOYSA-N 311.338 1.128 5 40 DDBB Nc1nc(N2CCCCCC2)nc(N2CCCC2)c1[N+](=O)[O-] 5032422 YXXWJWDBPINTNY-UHFFFAOYSA-N 306.370 1.948 5 40 DDBB O=[N+]([O-])c1ccc(NCCN2CCOCC2)c2ccncc12 23508490 HESGBGRGTFKXOQ-UHFFFAOYSA-N 302.334 1.887 5 40 DDBB O=C(O)CCn1cc(C(=O)O)c(-c2ccc([N+](=O)[O-])cc2)n1 27642662 BRWPKMHFNMLTIE-UHFFFAOYSA-N 305.246 1.631 5 40 DDBB O=C(NCCNc1ccccc1[N+](=O)[O-])NC1CCOCC1 80086715 WZSYMWHVUOHTTI-UHFFFAOYSA-N 308.338 1.485 5 40 DDBB COCCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 95116132 NDQYJKHXQNLIHC-UHFFFAOYSA-N 308.319 1.888 5 40 DDBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCN1CCOCC1 20457311 KCZLARWHFJWTCJ-QPJJXVBHSA-N 319.361 1.447 5 40 DDBB CCOc1ccc(S(=O)(=O)n2cc([N+](=O)[O-])nc2C)cc1 308692 YIURCLKGFUNMOL-UHFFFAOYSA-N 311.319 1.735 5 40 DDBB O=C(O)c1cnc2c(ccc3ncc(C(=O)O)c(O)c32)c1O 1717231 GIFCDUXKRJFRTJ-UHFFFAOYSA-N 300.226 1.591 5 40 DDBB in-vitro COC(=O)c1cc(NC[C@H](C)N2CCOCC2)ccc1[N+](=O)[O-] 65552033 MDBXRHCFPXQKSK-NSHDSACASA-N 323.349 1.514 5 40 DDBB Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ncn(C2CCCCC2)n1 96010853 QYQCSVASXRDXOU-UHFFFAOYSA-N 319.325 1.677 5 40 DDBB Cc1n[nH]cc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 68238168 TUNDQROGVLKXDZ-UHFFFAOYSA-N 300.278 1.433 5 40 DDBB COc1nn([C@@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] 72334176 VTASYOJSDFTODN-VIFPVBQESA-N 306.326 1.727 5 40 DDBB O=C(CN1CC[C@@H](N2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] 58328252 QSOAPRYNYPRFFN-CYBMUJFWSA-N 318.377 1.703 5 40 DDBB O=[N+]([O-])c1c(NC[C@H]2CN3CCC[C@H]3CO2)nc2ccccn12 106167012 BCBWZWHJUWXEHY-RYUDHWBXSA-N 317.349 1.518 5 40 DDBB Cc1c(NC(=O)CSc2nnnn2C)cccc1[N+](=O)[O-] 3513089 CSUDNSSCJYDODL-UHFFFAOYSA-N 308.323 1.158 5 40 DDBB Nc1nc(NCC(=O)O)nc(NC2CCCCC2)c1[N+](=O)[O-] 5140024 HDKJDEMEEAAECW-UHFFFAOYSA-N 310.314 1.208 5 40 DDBB C[N+](C)(C)C[C@H](OP(=O)(O)O)c1ccc([N+](=O)[O-])cc1 113257925 VALAFOXMZIGEOF-NSHDSACASA-O 305.247 1.451 5 40 DDBB Cc1ccc(=O)n(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 78931855 NSSKPXILAPBRBW-UHFFFAOYSA-N 313.273 1.558 5 40 DDBB CC[C@H](C)Nc1nc2nc3ccccn3c(=O)c2cc1C(N)=O 4520314 FENVWIVMFNZDRM-VIFPVBQESA-N 311.345 1.552 5 40 DDBB C[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 101356419 YPFUMAKGRZTFRY-OHTBPHCPSA-N 300.270 1.428 5 40 DDBB CCN1CCOC(=O)[C@H]1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 54670555 BAHDTTRBGINTSK-CYBMUJFWSA-N 321.333 1.479 5 40 DDBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccnc2nc(N)nn12 1401861 YLNDUGRCAQBXOT-MRVPVSSYSA-N 300.278 1.755 5 40 DDBB C[C@H]1CN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 35031572 SUTKLJLHGLPXCR-OBJOEFQTSA-N 310.350 1.444 5 40 DDBB Cn1cc([C@@H]2N(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2(C)C)cn1 565097863 DPCOTMUELDJFSY-JTQLQIEISA-N 304.310 1.275 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[S@](=O)C(C)(C)C1 96461647 NQERRGHTHWFJOY-OAQYLSRUSA-N 310.375 1.886 5 40 DDBB Cc1cc(NCc2cccnc2)nc(-n2cc([N+](=O)[O-])cn2)n1 5251736 JUATZVCRVWMTTL-UHFFFAOYSA-N 311.305 1.886 5 40 DDBB COC[C@H](C)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 9119071 HNNGQMSFKJTVQH-LBPRGKRZSA-N 321.377 1.962 5 40 DDBB CCO[C@H]1C[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C 96418948 VDOHUZIDYKLHJE-OLZOCXBDSA-N 324.381 1.843 5 40 DDBB Cc1nn(C)c(N2CCN(C3=NC[C@@H](C)S3)CC2)c1[N+](=O)[O-] 96424093 YDMVZIWJPWRKOJ-SECBINFHSA-N 324.410 1.250 5 40 DDBB C[C@H]([C@H](O)c1cc(=O)c(OCc2ccccc2)co1)[N+](=O)[O-] 480939 ZBINPMGAVPHASE-BMIGLBTASA-N 305.286 1.917 5 40 DDBB COC(=O)[C@](O)(c1cc(C)c(O)c([N+](=O)[O-])c1)C(F)(F)F 34763299 WJLNJOXWYJRUDL-SNVBAGLBSA-N 309.196 1.532 5 40 DDBB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)n1cc([N+](=O)[O-])cn1 97047992 JNIWXRQRMJNCRT-MFKMUULPSA-N 316.317 1.992 5 40 DDBB Cc1cc(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc(=O)[nH]1 4314751 JKOGYXXMKVEJMI-UHFFFAOYSA-N 305.315 1.962 5 40 DDBB Cc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1[N+](=O)[O-] 8262660 NSJZEAODAGEHCX-UHFFFAOYSA-N 317.345 1.598 5 40 DDBB Cc1csc(=O)n1CC(=O)N(C)Cc1cccc([N+](=O)[O-])c1 24947724 QCLMKAOHZRCRLT-UHFFFAOYSA-N 321.358 1.785 5 40 DDBB Nc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-] 4059599 HCUGAHDVLUMWBR-UHFFFAOYSA-N 318.312 1.433 5 40 DDBB O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H](CO)C1 74764050 NATMZDKVUYTFEG-LBPRGKRZSA-N 307.350 1.551 5 40 DDBB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)Nc1cccc([N+](=O)[O-])c1 409376372 XQOANHGRMVLMEQ-YXMPFFBPSA-N 318.285 1.578 5 40 DDBB Cc1cccc(C(=O)N2CCN(C(=O)N(C)C)CC2)c1[N+](=O)[O-] 31509379 SRMOGWUJYPIMHE-UHFFFAOYSA-N 320.349 1.343 5 40 DDBB COc1ccc(/C=C/C(=O)O)cc1Cn1nccc1[N+](=O)[O-] 15108208 VKUAGSPLRMDWHE-HWKANZROSA-N 303.274 1.946 5 40 DDBB CC(C)CNC(=O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 58250131 KUQTVAMWAGEGDK-UHFFFAOYSA-N 303.322 1.626 5 40 DDBB CCCNC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 12922523 JERXYFQKDKDNRQ-QMMMGPOBSA-N 313.741 1.893 5 40 DDBB O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN2CCCC[C@H]12 69586315 RKPMLZZMCSNULH-HUUCEWRRSA-N 319.361 1.717 5 40 DDBB NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 79015764 YBUYBZBLTOFTIJ-QWHCGFSZSA-N 305.334 1.298 5 40 DDBB O=[N+]([O-])c1ccc(Sc2ncnc3[nH]cnc23)c2nonc12 5464412 WPEZIZWVHZBGSL-UHFFFAOYSA-N 315.274 1.949 5 40 DDBB O=[N+]([O-])c1c(NC[C@H]2CN3CCC[C@@H]3CO2)nc2ccccn12 58149993 BCBWZWHJUWXEHY-NEPJUHHUSA-N 317.349 1.518 5 40 DDBB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 69097749 ZMHDMSJBTKYAOA-PRHODGIISA-N 308.338 1.925 5 40 DDBB O=C(NC[C@@H]1COCCO1)c1cc2cccc([N+](=O)[O-])c2[nH]1 89807785 HZIJOEXJLYOOSU-SNVBAGLBSA-N 305.290 1.221 5 40 DDBB CCc1nc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)no1 34688395 YYVXXUGUBHUMND-UHFFFAOYSA-N 321.249 1.378 5 40 DDBB Cc1ccc(S(=O)(=O)N[C@H](CN)CC(C)C)c([N+](=O)[O-])c1 95432089 MQBHTOQPIXYHGK-NSHDSACASA-N 315.395 1.555 5 40 DDBB CC(=O)OCCn1nc(C)c2c(O)nc3ccccc3c2c1=O 255190466 XJQKGOJAOJMISB-UHFFFAOYSA-N 313.313 1.522 5 40 DDBB Cc1ccc([N+](=O)[O-])c(OCC(=O)NC(=O)c2ccc[nH]2)c1 40501970 YGCBKZZPXKDFHK-UHFFFAOYSA-N 303.274 1.567 5 40 DDBB CC1CCN(c2c([N+](=O)[O-])cc(C(N)=O)cc2[N+](=O)[O-])CC1 26508734 FHNPSSFGLBNUKE-UHFFFAOYSA-N 308.294 1.838 5 40 DDBB CC(C)(C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 71900444 YZOWAODKJHLEQP-LLVKDONJSA-N 317.367 1.061 5 40 DDBB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(N)=O)C1 32664823 QILMBZWXKRSDRJ-GHMZBOCLSA-N 320.349 1.119 5 40 DDBB Cc1sc(C(=O)NCc2nnc3n2CCC3)cc1[N+](=O)[O-] 24444598 BKDXERNSIMRWQH-UHFFFAOYSA-N 307.335 1.432 5 40 DDBB Cn1cc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1 12848357 PMEFDXUORMUOLL-UHFFFAOYSA-N 322.252 1.263 5 40 DDBB O=C(C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccco1 4525927 RXIYPJBVYFVEQR-CQSZACIVSA-N 302.242 1.601 5 40 DDBB CNC(=O)c1ccc(N[C@@H]2CCCn3ncnc32)c([N+](=O)[O-])c1 79054709 SEZHXVBYIQNWJX-LLVKDONJSA-N 316.321 1.493 5 40 DDBB CC[C@@H](CCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C 79073295 BXXJMYDIHTTXAL-NSHDSACASA-N 316.379 1.590 5 40 DDBB CCN(CC)C(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 74740147 OTWCETUOKORRHC-UHFFFAOYSA-N 321.381 1.882 5 40 DDBB CS(=O)(=O)CCn1ccc(NCc2cccc([N+](=O)[O-])c2)n1 89484336 HEHVXLAJLFJAFS-UHFFFAOYSA-N 324.362 1.448 5 40 DDBB CN1C=C(C(=O)NCCCCC[N+](C)(C)C)C=C/C1=C/N=O 38178643 IMORNGWAKYFODX-QINSGFPZSA-O 307.418 1.972 5 40 DDBB O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 1442225 PRIVOAVAFMUNKE-DGCLKSJQSA-N 322.342 1.481 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(-c2ccn[nH]2)c1 24892195 NUKLPJLMSHVIBV-UHFFFAOYSA-N 312.289 1.820 5 40 DDBB Cc1cc(N[C@H]2CCCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] 58370207 KEPJPAUUHYLSNQ-LBPRGKRZSA-N 313.379 1.739 5 40 DDBB COCCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C 69464396 RDAVTFGVBFNLSK-ZDUSSCGKSA-N 321.377 1.744 5 40 DDBB O=c1[nH]c(O)nc(/C=C/c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 4361205 CEVUCNMQOBOZIN-ZZXKWVIFSA-N 304.218 1.462 5 40 DDBB CC(C)(O)CN(Cc1ccccc1)C(=O)c1n[nH]cc1[N+](=O)[O-] 97034129 LHDPURWPWGJJNN-UHFFFAOYSA-N 318.333 1.731 5 40 DDBB CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(CC(F)(F)F)C1=O 71902801 OMRKZYRPZFZJFN-VIFPVBQESA-N 318.255 1.589 5 40 DDBB CCc1nnc(Sc2ccc(C(=O)O)cc2[N+](=O)[O-])n1N 70462329 RVNWTIUNXXCWPY-UHFFFAOYSA-N 309.307 1.312 5 40 DDBB CCOC(=O)[C@@H]1CCCN(C(=N)Nc2ccc([N+](=O)[O-])cn2)C1 225238030 FWQBTKSWMNJBRV-SNVBAGLBSA-N 321.337 1.612 5 40 DDBB O=C(c1nc2cc([N+](=O)[O-])ccc2nc1O)[C@@H](O)c1ccco1 18206450 YQKBUOFQUIDPIY-LBPRGKRZSA-N 315.241 1.753 5 40 DDBB CSc1nnc(C)n1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 107874851 OKJWGVWAEANWPG-UHFFFAOYSA-N 307.335 1.909 5 40 DDBB CCONC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 22874991 OUFLFGPOOPRPAA-UHFFFAOYSA-N 309.278 1.351 5 40 DDBB CC[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 28036193 ALOKWJQFUHLDEL-SNVBAGLBSA-N 300.336 1.394 5 40 DDBB Cc1cc(NC(=O)CSc2n[nH]c(N)n2)c([N+](=O)[O-])cc1C 8300851 ZKWACRGXQPADGF-UHFFFAOYSA-N 322.350 1.643 5 40 DDBB COCCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C 69464401 RDAVTFGVBFNLSK-CYBMUJFWSA-N 321.377 1.744 5 40 DDBB CC(C)Cn1ncnc1Cn1cc(Cl)cc([N+](=O)[O-])c1=O 97233421 FJUPNDKZFRTSDE-UHFFFAOYSA-N 311.729 1.706 5 40 DDBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nccs1 22391476 NCNRZWFJHYIIJB-UHFFFAOYSA-N 320.286 1.598 5 40 DDBB NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 264799 GVCGBQXGMSJVQW-DHZHZOJOSA-N 301.258 1.444 5 40 DDBB Cc1nn(CCC(=O)N[C@H](C)[C@@H]2CCCO2)c(C)c1[N+](=O)[O-] 2780152 LWRXLGWXWRFNBB-SKDRFNHKSA-N 310.354 1.482 5 40 DDBB CN(C)C(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 800914 GVFCDTGBAOZGIT-UHFFFAOYSA-N 308.319 1.825 5 40 DDBB CC(C)[C@H](C)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 4563931 GLKMMQXZQIICQF-JTQLQIEISA-N 318.333 1.465 5 40 DDBB CCOC(=O)[C@@H](C)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 79111648 JUCYLSZUTZWBPY-MRVPVSSYSA-N 309.326 1.347 5 40 DDBB Cc1cc(S(=O)(=O)Nc2ccc(O)nn2)ccc1[N+](=O)[O-] 390835342 LIGWGDOURCOBIB-UHFFFAOYSA-N 310.291 1.200 5 40 DDBB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] 44551516 HGPFCIBVTORZCE-WCQYABFASA-N 303.318 1.947 5 40 DDBB Cc1cc(S(=O)(=O)NCc2cnn(C)c2)ccc1[N+](=O)[O-] 96406676 VPVKYIASVDEPKB-UHFFFAOYSA-N 310.335 1.115 5 40 DDBB Cc1c(NC(=O)N[C@H](C)c2nnc(O)n2C)cccc1[N+](=O)[O-] 585141440 UQLVKLHLDLBDPI-MRVPVSSYSA-N 320.309 1.620 5 40 DDBB CCCCC[N+](C)(C)CCOC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 5352030 JJACJBAQGASNLP-JKJDWNRSSA-N 324.441 1.994 5 40 DDBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 169617784 DWBRKRTWHDOAPE-RSUWNVLCSA-N 314.297 1.736 5 40 DDBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc2sccn2c1=O 6494526 XEONHGQSHSFPEY-UHFFFAOYSA-N 316.298 1.917 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCO2 9685577 AMENULKDKMORBU-UHFFFAOYSA-N 302.242 1.368 5 40 DDBB COc1cccc(N2CCN(CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] 302475819 FAXGBPQFASRNTI-LBPRGKRZSA-N 323.393 1.885 5 40 DDBB Cc1cnn(CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c1 225535551 FBGVWAGCBJCNAM-UHFFFAOYSA-N 324.362 1.615 5 40 DDBB CCN(CC)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 40105604 GLKRXCTZPZVPJA-UHFFFAOYSA-N 315.395 1.523 5 40 DDBB Cc1c(Br)cc([N+](=O)[O-])c2[nH]c(=O)oc(=O)c12 137685273 ZZNXTFKKUYYZEW-UHFFFAOYSA-N 301.052 1.460 5 40 DDBB Nc1nonc1-c1noc(-c2cc([N+](=O)[O-])ccc2Cl)n1 1068058 VUIOACHJWOGSPO-UHFFFAOYSA-N 308.641 1.930 5 40 DDBB COCCN(CC(=O)OC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 70003704 ZNCCVQYZWGZOOE-VOTSOKGWSA-N 322.317 1.256 5 40 DDBB COc1ccc2c3c1O[C@@H]1[C@@H](O)CC=C[C@@]31CC[N+](C)(C)C2 229833828 DOUIWWHBJPGSBE-MORSLUCNSA-N 302.394 1.995 5 40 DDBB Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC(=O)N(CC(F)(F)F)C1 75142990 URAZIWDNYHOBNY-QMMMGPOBSA-N 318.255 1.873 5 40 DDBB O=[N+]([O-])c1cnn([C@H]2CCN(C3COC3)C[C@@H]2F)c1Cl 1542984491 YVYSXVZMZGTRFP-IUCAKERBSA-N 304.709 1.428 5 40 DDBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCOCC1 2623775 VZUPIYJZIMKEEN-ZZXKWVIFSA-N 320.301 1.010 5 40 DDBB COc1n[nH]c(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-] 4631385 NZEDEKTWSNZQNF-UHFFFAOYSA-N 302.290 1.525 5 40 DDBB CN(Cc1cnn(C)c1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 24482139 JOYOXQIZQDRBAG-UHFFFAOYSA-N 314.305 1.477 5 40 DDBB CCOc1ccc(N2C[C@H](C(=O)OC)CC2=O)c([N+](=O)[O-])c1 70461187 NEXOZSKRPVLOFA-SECBINFHSA-N 308.290 1.519 5 40 DDBB CC(=O)N1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 46037113 YYPNFHOUPXQTAK-UHFFFAOYSA-N 307.350 1.528 5 40 DDBB CN(C)CCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1 13670380 HGBKVGBWMUTHBY-UHFFFAOYSA-N 311.407 1.896 5 40 DDBB O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2ccccc2Cl)CC1 47271809 CTFQIHNNPMCQJZ-GXFFZTMASA-N 309.753 1.654 5 40 DDBB O=C(COc1cccnc1[N+](=O)[O-])N1CCc2ccccc2C1 5899190 ARVBCCUZBCUACH-UHFFFAOYSA-N 313.313 1.954 5 40 DDBB Cn1cnc([N+](=O)[O-])c1NCc1nc(-c2ccc(F)cc2)n[nH]1 71858774 WUPFNLFYQPJPNF-UHFFFAOYSA-N 317.284 1.865 5 40 DDBB Cn1ccnc1Sc1ccc(-n2cnnn2)cc1[N+](=O)[O-] 5728800 KUEZMIMCLMYTNW-UHFFFAOYSA-N 303.307 1.455 5 40 DDBB CN1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 35623029 WDMJWPRJWXURAL-UHFFFAOYSA-N 319.770 1.184 5 40 DDBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)N1CCOCC1 5614445 UTTUNQCQPNTSPM-UHFFFAOYSA-N 322.346 1.422 5 40 DDBB NS(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cc2)cc1 5637596 QZPVVDKWVNOTBV-UHFFFAOYSA-N 321.358 1.897 5 40 DDBB C[C@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(N)=O 5711090 JMDWLTUNZHNCTM-JTQLQIEISA-N 321.333 1.616 5 40 DDBB CS(=O)(=O)CCNc1c(Br)cncc1[N+](=O)[O-] 95980551 HQMXBWZGFTVWPR-UHFFFAOYSA-N 324.156 1.209 5 40 DDBB COc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1C 32687750 LTLQRQHFHZSCEN-WAYWQWQTSA-N 303.274 1.871 5 40 DDBB CC[C@@H]1CN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CCO1 30856717 DWTDZBOBOOKXQO-CYBMUJFWSA-N 322.317 1.632 5 40 DDBB Cc1cc(-c2nnc(CCn3cc([N+](=O)[O-])cn3)o2)n(C)n1 2806251 SCQFJSIONHDHDV-UHFFFAOYSA-N 303.282 1.126 5 40 DDBB C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 102281837 ZONYYYGPRLBDKH-BYNQJWBRSA-N 319.361 1.697 5 40 DDBB Cc1ccnc2nc(C(=O)OCc3cccc([N+](=O)[O-])c3)nn12 44508307 DCEOWADKYWQACJ-UHFFFAOYSA-N 313.273 1.698 5 40 DDBB CC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408733594 LJAXIYCFNOSJAE-JXFSHQFZSA-N 314.297 1.818 5 40 DDBB O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc([N+](=O)[O-])s1 12139977 RYOGVGZVRDCBGI-UHFFFAOYSA-N 317.282 1.792 5 40 DDBB Cc1cc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)no1 3505292 XHMGVZUYDRJUNG-UHFFFAOYSA-N 305.246 1.687 5 40 DDBB O=c1[nH]nc2n1CCN(c1ccc([N+](=O)[O-])c3cccnc13)C2 95941801 YQVDHKCFUPIHCZ-UHFFFAOYSA-N 312.289 1.048 5 40 DDBB Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)N1CCOCC1 26116617 KKAQLOPJNJYPQJ-LLVKDONJSA-N 322.317 1.307 5 40 DDBB CC1(C)OCC(COC(=O)Nc2ccncc2)([N+](=O)[O-])CO1 2550504 BNFJMYLENQLROP-UHFFFAOYSA-N 311.294 1.429 5 40 DDBB CCN([C@H](C)COC)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 55283718 FVOYEVOHUWHTLJ-LLVKDONJSA-N 316.379 1.949 5 40 DDBB COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1cccn1 24806699 VSRVSFDJDZKOHI-SNVBAGLBSA-N 304.306 1.618 5 40 DDBB CC[C@@H]1CN(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCO1 29153414 SXJRFVMPBZBNQD-GFCCVEGCSA-N 307.350 1.912 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C=C[C@H]2O1 408726400 BKSLNMHPDQPLGV-BRXULGCHSA-N 314.297 1.736 5 40 DDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C2OCCO2)C1 69310310 IQFJPFBELOBHEW-GFCCVEGCSA-N 306.318 1.820 5 40 DDBB CC(C)N(CC(=O)N1CCNC1=O)Cc1ccc([N+](=O)[O-])cc1 64350328 MQADKXVAYJGYGT-UHFFFAOYSA-N 320.349 1.357 5 40 DDBB C[C@@H](CN(C)C(=O)c1c([N+](=O)[O-])cnn1C)c1nccs1 97108154 FZKVYNNDLMDWDA-QMMMGPOBSA-N 309.351 1.661 5 40 DDBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1nccn1C 95468487 COJGFIADYDAWJF-LLVKDONJSA-N 317.349 1.787 5 40 DDBB O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)CCO 85233285 WUSFCDZHFBYAJK-UHFFFAOYSA-N 310.125 1.123 5 40 DDBB O=C([C@H]1CCCN1c1ccc([N+](=O)[O-])cn1)N1CCSCC1 66818216 CKLZYKFUFOLLPU-GFCCVEGCSA-N 322.390 1.534 5 40 DDBB CC(C)[C@H](C)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 3602184 PQLYNXPUCDDRDY-VIFPVBQESA-N 319.317 1.352 5 40 DDBB C[C@@H](COCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 63698656 GDFFJRDTUPGTIT-ZETCQYMHSA-N 322.239 1.998 5 40 DDBB CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1N 189978678 ZTCTWQFHKPWWMQ-SNVBAGLBSA-N 321.255 1.562 5 40 DDBB Cc1nc2ccccc2n1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 96435682 KVYOSPIDUMUDGQ-LBPRGKRZSA-N 301.306 1.511 5 40 DDBB COC(=O)C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1475632 ZDSHKLYGWOAHJZ-HXUWFJFHSA-N 311.237 1.894 5 40 DDBB COc1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1C 69352146 QCTIYUOAEUTILU-UHFFFAOYSA-N 318.333 1.815 5 40 DDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCO1 32400930 HPKGHVOJCYVYRA-SNVBAGLBSA-N 316.335 1.061 5 40 DDBB COCCOc1cc([N+](=O)[O-])c(C(=O)NC(C)C)cc1OC 22021292 BNMVBUJVSBCVKX-UHFFFAOYSA-N 312.322 1.767 5 40 DDBB CN(Cc1ccncc1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] 24203288 SFODOFJQZVFFBD-UHFFFAOYSA-N 311.301 1.634 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 4322667 HAOQAKSTJMZPAN-DVZHBHJUSA-N 314.297 1.736 5 40 DDBB Cc1cc(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])on1 16563774 UYQRMNOYMVDFLH-UHFFFAOYSA-N 305.246 1.347 5 40 DDBB Cc1ccc(C)c(S(=O)(=O)NCCn2ccnc2)c1[N+](=O)[O-] 195579886 OXUNMLNEDPMBJP-UHFFFAOYSA-N 324.362 1.387 5 40 DDBB C[N+]1(C[C@H](O)COCCO[C@@H]2C[C@H]3CC[C@H]2C3)CCOCC1 245239713 AAKUNFYHSUBHKE-LUKYLMHMSA-N 314.446 1.046 5 40 DDBB CC[C@@H](O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 11565777 ZUZCBBVHCRNQRJ-SNVBAGLBSA-N 306.274 1.202 5 40 DDBB COc1ccc2c3c1O[C@H]1[C@@H](O)CC=C[C@]31CC[N+](C)(C)C2 4038899 DOUIWWHBJPGSBE-KKXDTOCCSA-N 302.394 1.995 5 40 DDBB biogenic CCN1CCOC(=O)[C@H]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C 54672200 QGTRUYNTUIAKCS-CYBMUJFWSA-N 321.333 1.479 5 40 DDBB CCc1cccc(CC)c1NC(=O)Cn1cnc([N+](=O)[O-])n1 48222017 CKTOZSFATKAXHZ-UHFFFAOYSA-N 303.322 1.950 5 40 DDBB COCC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4806369 UXIDOUQQPUXGFZ-UHFFFAOYSA-N 302.670 1.376 5 40 DDBB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C2 195566538 FHAMQPDBNLRAKP-SNVBAGLBSA-N 315.333 1.427 5 40 DDBB O=C(N[C@@H]1CCCCNC1=O)c1cc(F)c([N+](=O)[O-])cc1F 97058046 XSYYCSYBWNVDOZ-SNVBAGLBSA-N 313.260 1.272 5 40 DDBB CC1=C([N+](=O)[O-])[C@H](c2ccc3c(c2)OCO3)N(C)C(=O)N1C 364334 WFTKUMPPALRFBZ-ZDUSSCGKSA-N 305.290 1.962 5 40 DDBB COCCCNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1 5148119 CTQOAYMQHMSXPI-SNVBAGLBSA-N 324.385 1.652 5 40 DDBB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 100564985 OWIRASZRJZHFER-QQXRRDQMSA-N 300.270 1.612 5 40 DDBB O=C(Nc1nccs1)c1n[nH]c([N+](=O)[O-])c1Br 1002415 GKLNCTOVTDUCOG-UHFFFAOYSA-N 318.112 1.789 5 40 DDBB CC[N+](CC)(CC)CCOC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 104184240 BZRJPXIAPWLIOZ-RMEBNNNOSA-N 310.414 1.604 5 40 DDBB Cc1ccccc1CN1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 106526861 RMIWYKZKMKGBCS-HZPDHXFCSA-N 317.389 1.695 5 40 DDBB Cc1cnc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 3263608 HVMFRNGTHWAINS-UHFFFAOYSA-N 316.273 1.489 5 40 DDBB CC(=O)NCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 12772884 RCVXJUHABPYQBR-UHFFFAOYSA-N 306.322 1.035 5 40 DDBB COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1OC 65712786 SCHAKZYHGMVNMF-UHFFFAOYSA-N 320.305 1.756 5 40 DDBB CN(CCn1cccn1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O 195576730 SPEUDTRHGRMPHQ-UHFFFAOYSA-N 324.362 1.331 5 40 DDBB C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 4359378 YPFUMAKGRZTFRY-FUTJPDQTSA-N 300.270 1.428 5 40 DDBB CCOc1cc([C@@H]2N[C@@H](C(=O)O)CS2)cc([N+](=O)[O-])c1O 35012 QPACWPZFGHPYJU-RDDDGLTNSA-N 314.319 1.487 5 40 DDBB O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 101164923 OWIRASZRJZHFER-YNVKYCFSSA-N 300.270 1.612 5 40 DDBB C[C@@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)[C@H]1C[C@H]2CC[C@H]1C2 106580242 RQXSOMDWCYLZAJ-MROQNXINSA-N 319.361 1.697 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCOCC1 12539084 SHAIJKSHOQRBRO-UHFFFAOYSA-N 323.349 1.516 5 40 DDBB O=C([C@H]1CCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48250380 ZDPDAQDJIANYGM-CQSZACIVSA-N 305.334 1.422 5 40 DDBB Nc1nc(N[C@@H]2CCO[C@H]2c2ccccc2)ncc1[N+](=O)[O-] 75092193 MYMSLGNMVPPVGU-PWSUYJOCSA-N 301.306 1.909 5 40 DDBB C[C@@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 222191926 KSFCXQHZDYXHJQ-VZAMPYOESA-N 314.297 1.818 5 40 DDBB COC[C@H](O)CNc1c(F)cc([N+](=O)[O-])cc1Br 96429518 TWJLQUQMGPBHFS-SSDOTTSWSA-N 323.118 1.916 5 40 DDBB COc1c(OC(C)=O)ccc(/C=C2/N=C(C)OC2=O)c1[N+](=O)[O-] 1620240 OXXRXOCLIYERKC-UXBLZVDNSA-N 320.257 1.845 5 40 DDBB CCOC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 87935 MLEBZRFUDCUDDH-UHFFFAOYSA-N 321.333 1.818 5 40 DDBB C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC12CCC2 95458115 PUIZHZIAHSJITJ-SNVBAGLBSA-N 305.334 1.935 5 40 DDBB COc1cc(C(=O)Nc2ccn(C)n2)c([N+](=O)[O-])cc1OC 24472518 WNHLDXBJDRVXSS-UHFFFAOYSA-N 306.278 1.598 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccccc1C(F)(F)F 196084 HFXXZYOVOJSEBY-UHFFFAOYSA-N 315.211 1.844 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 13134888 QBHIKBMAJQCAMD-PHIMTYICSA-N 323.349 1.651 5 40 DDBB COC(=O)c1cc2nnc3cc(C(=O)OC)cc4nnc(c1)c2c34 96318495 TZEOPWXVQNXIPP-UHFFFAOYSA-N 322.280 1.737 5 40 DDBB CCOCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 53962265 XOBIRWLNIUKKNS-UHFFFAOYSA-N 304.306 1.547 5 40 DDBB O=C(CCn1cc([N+](=O)[O-])cn1)NCc1cn2ccccc2n1 67287750 UNXCJUFICNDNFB-UHFFFAOYSA-N 314.305 1.146 5 40 DDBB O=[N+]([O-])c1cccnc1N1CCCN(c2ncccn2)CC1 69561292 HQLVFPFIQVFVDG-UHFFFAOYSA-N 300.322 1.497 5 40 DDBB C[C@@H]1CC(=O)NCCN1c1ccc([N+](=O)[O-])c2cnccc12 71889426 CPKHVHKQMKTAAW-SNVBAGLBSA-N 300.318 1.858 5 40 DDBB CC(C)(C)[S@@](=O)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 79028364 VBCJZLHUFUBHCC-OAQYLSRUSA-N 314.363 1.577 5 40 DDBB Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CN)C2CC2)c1C 97229422 ADOWKUXGZKWSFO-NSHDSACASA-N 313.379 1.227 5 40 DDBB O=c1[nH]c2nc3ccccc3c(=O)n2nc1Cc1ccccc1 5582200 KARWCKAYLMFSBN-UHFFFAOYSA-N 304.309 1.522 5 40 DDBB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] 52992342 HWEIUQRIXPKKRB-KBPBESRZSA-N 323.393 1.339 5 40 DDBB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 3864738 MJEHEGPWQFISSE-SECBINFHSA-N 314.319 1.080 5 40 DDBB C[C@H]1CCCN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C1 5218638 VJIONZVYLIUJJI-JTQLQIEISA-N 306.370 1.804 5 40 DDBB O=c1[nH]c(O)nc(/C=C\c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 33922007 VFQZTECEWXARRE-PLNGDYQASA-N 304.218 1.462 5 40 DDBB Cc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1[N+](=O)[O-] 40481302 GLOMVAUDUOYLMS-UHFFFAOYSA-N 315.333 1.713 5 40 DDBB O=C(COC(=O)c1cccnc1)Nc1ccccc1[N+](=O)[O-] 8288742 WCQIPCWMSFONKN-UHFFFAOYSA-N 301.258 1.785 5 40 DDBB CCOC(=O)N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 555170 RVDBFBWKRCUEKB-UHFFFAOYSA-N 321.333 1.438 5 40 DDBB COc1ccc([N+](=O)[O-])cc1OCCCN1CCN(C)CC1 66352019 GIODEEXALCHTQP-UHFFFAOYSA-N 309.366 1.620 5 40 DDBB CN(CCC(=O)O)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 95425284 PAWDVUXPXQHPMW-UHFFFAOYSA-N 321.333 1.742 5 40 DDBB CC(C)[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)N(C)C 32925727 YKIZBMFIUWFLSX-FEAKQIBJSA-N 319.361 1.837 5 40 DDBB COc1ccc(NC(=O)Cn2ccsc2=N)c([N+](=O)[O-])c1 5861175 QNNQAOJJXIUTHK-UHFFFAOYSA-N 308.319 1.585 5 40 DDBB CNC(=O)c1cc(C(=O)COc2cccc([N+](=O)[O-])c2)cn1C 31840534 PBIGLAWTRJJMOO-UHFFFAOYSA-N 317.301 1.555 5 40 DDBB CN(C)c1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)ccn1 40512674 JOMNUSRTWXGUFF-UHFFFAOYSA-N 314.345 1.915 5 40 DDBB COC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 24723827 XNLKQSLTQGBJIA-ZDUSSCGKSA-N 308.334 1.841 5 40 DDBB O=C(O)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 4323728 WQPHHBJMDSZBPO-UHFFFAOYSA-N 314.253 1.819 5 40 DDBB O=C1CCc2cc([N+](=O)[O-])c(NCC(=O)N3CCCC3)cc2N1 40139306 PQCHUIJMLRAICP-UHFFFAOYSA-N 318.333 1.514 5 40 DDBB O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCCNC1=O 80598403 MZXVCDBXCAQJPK-LBPRGKRZSA-N 320.349 1.105 5 40 DDBB CCOC(=O)[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)CC 5199390 QOOOKRFYWXCNKD-LLVKDONJSA-N 324.333 1.604 5 40 DDBB Nc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] 69369876 SJTPHCLACZVKLU-ZDUSSCGKSA-N 318.377 1.877 5 40 DDBB Nc1nc(N2CCCC2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] 5099683 MWZVOPRBIUGWRQ-SECBINFHSA-N 308.342 1.158 5 40 DDBB Nc1nc(N2CCOCC2)nc(NC2CCCCC2)c1[N+](=O)[O-] 6317329 FJHYUKOIOWLXEM-UHFFFAOYSA-N 322.369 1.548 5 40 DDBB COC(=O)c1ccc(NCCNc2ccccc2[N+](=O)[O-])nn1 69532585 IJXPBXFIMMUNLQ-UHFFFAOYSA-N 317.305 1.695 5 40 DDBB Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2 8970855 CAGIWBNTCYYBRJ-SNVBAGLBSA-N 300.274 1.461 5 40 DDBB CC(C)CO[C@H](C)c1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1 89840266 NCNNUYLOBILLBJ-SNVBAGLBSA-N 322.321 1.921 5 40 DDBB S=c1oc2ccccc2n1C[N+]12CN3CN(CN(C3)C1)C2 30836292 ZGBVGIVXCGDPAL-UHFFFAOYSA-N 304.399 1.430 5 40 DDBB Cc1ccnc(N2CCC[C@H](c3nc(N)n[nH]3)C2)c1[N+](=O)[O-] 585141899 IAPZAACXSYIOKH-VIFPVBQESA-N 303.326 1.383 5 40 DDBB CCn1c(=O)c(=O)n(CC)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21 5508788 JMGAUZTWKBJHRV-UHFFFAOYSA-N 308.250 1.019 5 40 DDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C2OCCO2)CC1 69292814 QUXYOPYDIYMDSO-UHFFFAOYSA-N 306.318 1.820 5 40 DDBB CCn1cc([N+](=O)[O-])c(C(=O)NC2CC(C)(C)NC(C)(C)C2)n1 4652265 VUPRQDKVELPBQC-UHFFFAOYSA-N 323.397 1.850 5 40 DDBB COC[C@H](O)COc1cc([N+](=O)[O-])ccc1Br 225546583 WYEDRTGNFZVUJZ-QMMMGPOBSA-N 306.112 1.743 5 40 DDBB 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 100036751 LZCOQTDXKCNBEE-IFTGGNMHSA-N 318.393 1.063 5 40 DDBB fda CC(C)N(CCC(=O)NC(N)=O)Cc1ccc([N+](=O)[O-])cc1 58142108 SKIZGMAWHKWULM-UHFFFAOYSA-N 308.338 1.390 5 40 DDBB COc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1O 15009220 BVRWVEJDMLJZMR-DUXPYHPUSA-N 305.246 1.268 5 40 DDBB O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2[C@H](O)C(F)(F)F)n1 97212792 OGVCAEKPJCWQJN-SCZZXKLOSA-N 308.260 1.179 5 40 DDBB Cc1cc(N[C@H]2CNC(=O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 95997035 RSODGMASKTVWEC-LLVKDONJSA-N 313.317 1.661 5 40 DDBB N=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)S1 8934822 JPAAYYWZUMBMSN-FARCUNLSSA-N 310.247 1.347 5 40 DDBB CC[C@H]1CN(C(=O)CNc2ccc(F)c([N+](=O)[O-])c2)CCO1 58440945 RBZVFWPYKDMPLF-NSHDSACASA-N 311.313 1.783 5 40 DDBB CN(Cc1ccccc1F)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 19025707 FINVVNAHWWNJCH-UHFFFAOYSA-N 319.292 1.554 5 40 DDBB CSc1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 4387582 HNPHJADREKWLDZ-UHFFFAOYSA-N 312.347 1.554 5 40 DDBB O=[N+]([O-])c1ccc(N2CCN(CCN3CCOCC3)CC2)cc1 39971499 WSCGBABDTOHRLZ-UHFFFAOYSA-N 320.393 1.049 5 40 DDBB CN1CCC[C@@H](N2CCN(c3sccc3[N+](=O)[O-])CC2)C1 96492814 IFTSIPGUEIJAFH-GFCCVEGCSA-N 310.423 1.873 5 40 DDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC([C@H](O)c2ccccc2)CC1 48264314 GYJQTSBVQZWZCD-QLFBSQMISA-N 304.346 1.624 5 40 DDBB Cc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 4504710 PUSNNOFQIQWMHQ-NSHDSACASA-N 312.347 1.162 5 40 DDBB Cc1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1[N+](=O)[O-] 18325208 MVBPNEBZEKXCHO-VIFPVBQESA-N 308.319 1.398 5 40 DDBB C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 70173610 ULXDDFPSOYJUID-GHMZBOCLSA-N 313.379 1.343 5 40 DDBB CON(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 69491875 DYLIZTDVTMTMJC-CYBMUJFWSA-N 321.333 1.528 5 40 DDBB COC(=O)[C@@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]21 6671693 VVDMOGJPPTWGSX-DOMZBBRYSA-N 320.301 1.364 5 40 DDBB COC(=O)CSc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4293442 YBTNNHYRVTXZIZ-UHFFFAOYSA-N 316.247 1.466 5 40 DDBB biogenic Cn1c(Cn2cc([N+](=O)[O-])ccc2=O)nc2ccccc2c1=O 31672377 TWTCNCNDDPOJCI-UHFFFAOYSA-N 312.285 1.052 5 40 DDBB C[N@+]12CCCC[C@H]1[C@@H](COC(=O)CN1CCOCC1)CCC2 585162689 CCFPFHWXYMZYJJ-JTDSTZFVSA-N 311.446 1.271 5 40 DDBB O=C(CCn1ccc([N+](=O)[O-])n1)Nc1ccc(C(=O)O)cc1 2809133 BRBXNVVKQUAQKA-UHFFFAOYSA-N 304.262 1.518 5 40 DDBB Cn1ccnc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 76091372 ANHLRJWGPNEDLE-LLVKDONJSA-N 302.338 1.410 5 40 DDBB CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 67171673 YBQSJQYCPBQWKP-KOLCDFICSA-N 311.725 1.693 5 40 DDBB O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCc2cccc(F)c21 69585553 VEWUKJMXUGVHMD-UHFFFAOYSA-N 304.281 1.910 5 40 DDBB Cc1noc(C)c1CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 97054122 YQVOLVQJAWJKCT-UHFFFAOYSA-N 317.349 1.917 5 40 DDBB CC1(C)OC[C@@H](Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)O1 521393762 RSLXCGYUQMDLCV-SNVBAGLBSA-N 305.290 1.456 5 40 DDBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccn(C)c(=O)c1 40509290 UVOWDNMKZXIUFD-UHFFFAOYSA-N 301.302 1.566 5 40 DDBB CCOC(=O)C1=C(C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 339986 AEXFNQXBSOSWCF-NSHDSACASA-N 305.290 1.786 5 40 DDBB Cc1cccc(C(=O)OCC(=O)N2CCCC2=O)c1[N+](=O)[O-] 4580269 RNZJQOOEECZBOL-UHFFFAOYSA-N 306.274 1.209 5 40 DDBB O=C1NCCN1[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 58129012 NMKRLEQKFNDMMW-ZDUSSCGKSA-N 304.350 1.584 5 40 DDBB CCOC(=O)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 48310055 HWWIPPHFUFVNBE-VIFPVBQESA-N 316.335 1.133 5 40 DDBB NC(=O)c1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)cc1 8344654 ISWJSXBZUCTRAI-UHFFFAOYSA-N 314.301 1.744 5 40 DDBB O=C(O)/C=C\C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1 215867838 GKQASTSGIFRTAV-PLNGDYQASA-N 304.218 1.224 5 40 DDBB O=C(O)c1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCCCC1 256047728 OEVXWANLSVHSJZ-UHFFFAOYSA-N 317.305 1.864 5 40 DDBB CC(C)(C)NC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 5837977 UWMBUNLQXFVAJT-UHFFFAOYSA-N 311.363 1.763 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 169683049 DUMHJZLKIUUULP-NDBYEHHHSA-N 300.270 1.346 5 40 DDBB Cn1cc(N2CCN(c3ccccc3[N+](=O)[O-])CC2=O)cn1 79021869 CDXVGRUPAIVEGB-UHFFFAOYSA-N 301.306 1.182 5 40 DDBB O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCN2CCCC[C@H]12 68203690 UDZKGOLTPJIMJU-UONOGXRCSA-N 318.377 1.750 5 40 DDBB CNC(=O)c1ccc(=O)n(CCOc2ccc([N+](=O)[O-])cc2)c1 83882264 VABQNKZLAZSSLF-UHFFFAOYSA-N 317.301 1.195 5 40 DDBB CC(C)(C)OC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](N)CC(=O)O 54965041 ONVONVHJHISQMZ-AAEUAGOBSA-N 324.333 1.822 5 40 DDBB Nc1nc(NC[C@@H]2CCc3ccccc3N2)ncc1[N+](=O)[O-] 69533917 XLFJMROZACKVTF-JTQLQIEISA-N 300.322 1.806 5 40 DDBB Cc1ccc([N+](=O)[O-])c(N[C@@H](CC(N)=O)C2CCOCC2)c1 95975476 LKTDUVQYRCWEAE-LBPRGKRZSA-N 307.350 1.986 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnnn1C 5017737 UFVPIMLGALWGLC-UHFFFAOYSA-N 308.323 1.158 5 40 DDBB O=c1nc2n(Cc3ccccc3)c3ccccc3nc-2c(=O)[nH]1 1593749 SXXXKEQNJUOXFV-UHFFFAOYSA-N 304.309 1.633 5 40 DDBB COc1cc(C(=O)NCC2CC2)c([N+](=O)[O-])c(OC)c1OC 22971992 QELSSXBJGLQCMJ-UHFFFAOYSA-N 310.306 1.760 5 40 DDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 12907241 XEOPVXKVBRQTEH-NXEZZACHSA-N 314.363 1.701 5 40 DDBB CS(=O)(=O)NCCCNc1ccc(Cl)cc1[N+](=O)[O-] 4142193 BBAGHXUQVHCXRS-UHFFFAOYSA-N 307.759 1.599 5 40 DDBB CNC(=O)c1ccc(N(C)[C@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 96011442 YXEIVYFULDGAEL-AOUSDQRYSA-N 313.379 1.158 5 40 DDBB COc1cc(N2CCC[C@H]2C(=O)NC2CC2)c(F)cc1[N+](=O)[O-] 134895152 OECYJLIDNAGVJB-NSHDSACASA-N 323.324 1.990 5 40 DDBB O=C(Cn1cccn1)NCCCCc1ccc([N+](=O)[O-])cc1 96416495 ZZYYNVLNZGYKPE-UHFFFAOYSA-N 302.334 1.930 5 40 DDBB CC(C)Oc1ccccc1Cn1cc([N+](=O)[O-])c(O)nc1=O 96416337 KPYVNTHYUNHPAL-UHFFFAOYSA-N 305.290 1.693 5 40 DDBB CN(CC(=O)N1CCCC1)C(=O)COc1cccc([N+](=O)[O-])c1 58045591 VSMARCFSEIJWMM-UHFFFAOYSA-N 321.333 1.054 5 40 DDBB CC(C)(NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)O 65415696 PUIAKPOSVKXXNC-UHFFFAOYSA-N 318.289 1.374 5 40 DDBB Cn1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c2ccccc21 5325292 WPJLLTRUBKOIPH-VOTSOKGWSA-N 312.285 1.634 5 40 DDBB O=C(O)c1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 9234934 DSASUMDUFGBWRV-ZZXKWVIFSA-N 303.230 1.252 5 40 DDBB CC1(C)CCCN1S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 63074335 JQLHHOBTIADCSN-UHFFFAOYSA-N 300.336 1.864 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)CCn2cc(Cl)cn2)cc1 97085562 MNMVRSCEKBSTQZ-UHFFFAOYSA-N 315.738 1.919 5 40 DDBB CN(C)C(=O)NCCN(C)c1ncc([N+](=O)[O-])cc1Cl 95456948 IJKMQJQHJHJJRY-UHFFFAOYSA-N 301.734 1.351 5 40 DDBB O=[N+]([O-])c1cc(NS(=O)(=O)N2CCCCC2)ccc1F 96418474 LKWNAFDQOQSAOV-UHFFFAOYSA-N 303.315 1.877 5 40 DDBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 5017905 ONVNFFHNCFENJI-WAYYCVMKSA-N 314.297 1.915 5 40 DDBB CC(C)NS(=O)(=O)c1ccc(NCCCO)c([N+](=O)[O-])c1 23990870 JBJBEJODWFNQEU-UHFFFAOYSA-N 317.367 1.076 5 40 DDBB Nc1nnc(SCC(=O)Nc2ncc([N+](=O)[O-])s2)s1 10231446 SYVNJHRBILDHHX-UHFFFAOYSA-N 318.365 1.216 5 40 DDBB COc1cc(OCC(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-] 69126103 OEARODNYANTFOK-UHFFFAOYSA-N 323.349 1.193 5 40 DDBB Cc1cc([N+](=O)[O-])cn(Cc2nc(-c3cccs3)n[nH]2)c1=O 93904763 MOLDJYAMQWAURH-UHFFFAOYSA-N 317.330 1.960 5 40 DDBB COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc([N+](=O)[O-])c1O 409044648 OOIRNKZCOYVSOP-UITAMQMPSA-N 323.330 1.339 5 40 DDBB C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nnn[nH]1 97141344 YXCCETRUXJFACD-ZETCQYMHSA-N 315.293 1.123 5 40 DDBB O=C(Cc1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)Nc1ccc(F)cc1 95394459 LCWAXCFLHYXSJT-NXEZZACHSA-N 306.253 1.523 5 40 DDBB Cc1nn(C)c(N2CCN(C3=NC[C@H](C)S3)CC2)c1[N+](=O)[O-] 96424092 YDMVZIWJPWRKOJ-VIFPVBQESA-N 324.410 1.250 5 40 DDBB CCN1CCC[C@@H](NP2(=O)OCC(C)([N+](=O)[O-])CO2)C1 1702933 CSVZWLZAFRSSBT-QABCNFEFSA-N 307.287 1.251 5 40 DDBB O=c1oc2ccc([N+](=O)[O-])cc2c(N2CCOCC2)c1[N+](=O)[O-] 4171172 MKYDTRUPKGXEKA-UHFFFAOYSA-N 321.245 1.446 5 40 DDBB CC1(C)CC(=O)c2sc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])nc2C1 44742902 RXGGDXCLAJSUSC-POYBYMJQSA-N 309.347 1.902 5 40 DDBB O=C(c1ccccn1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48306163 VFKXEQSHAODAOI-UHFFFAOYSA-N 312.329 1.952 5 40 DDBB COC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3888076 LGIDJQYRGNVMQT-SSDOTTSWSA-N 308.743 1.561 5 40 DDBB COC[C@H](C)NC(=O)CN1CCCc2c1cccc2[N+](=O)[O-] 94005741 SLCUWRBYBPNXQO-NSHDSACASA-N 307.350 1.499 5 40 DDBB COc1ccc(-c2noc(Cn3ccc([N+](=O)[O-])n3)n2)cn1 89466849 PFQQONXPXAERTK-UHFFFAOYSA-N 302.250 1.293 5 40 DDBB CC(=O)/N=c1\sc(C(C)=O)nn1-c1ccccc1[N+](=O)[O-] 3848850 ACWNQVNHDPWUGU-SEYXRHQNSA-N 306.303 1.492 5 40 DDBB CNC(=O)c1ccc(N(C)[C@@H](C)C[S@](C)=O)c([N+](=O)[O-])c1 96011441 YXEIVYFULDGAEL-JLTPVHFHSA-N 313.379 1.158 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)F)[nH]1 216904928 QMNGDIOWAGYIQV-UHFFFAOYSA-N 315.261 1.901 5 40 DDBB C[C@H]1COc2ccccc2N1C(=O)CCn1cc([N+](=O)[O-])cn1 72531916 NNNXMFBNUYRRKR-NSHDSACASA-N 316.317 1.996 5 40 DDBB Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2ccncc2)CC1 97376060 ADFWPAIDIRELFS-UHFFFAOYSA-N 313.317 1.429 5 40 DDBB O=C(c1ccoc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 40501229 JDPMKWMQPAHIGD-UHFFFAOYSA-N 302.290 1.545 5 40 DDBB O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC(=O)N(CC2CC2)C1 59742008 DSCWOPFKATZMKA-SNVBAGLBSA-N 321.308 1.931 5 40 DDBB Nc1nc(NC[C@@H]2COc3ccccc3O2)ncc1[N+](=O)[O-] 58194206 SCYGOHLZGQNSPL-MRVPVSSYSA-N 303.278 1.219 5 40 DDBB Cc1cc(N[C@@H]2CNC(=O)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 95997036 RSODGMASKTVWEC-NSHDSACASA-N 313.317 1.661 5 40 DDBB CNC(=O)CN1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1 80554296 NENHLOKYHLZINS-UHFFFAOYSA-N 306.366 1.526 5 40 DDBB O=C(Cn1ccnc1[N+](=O)[O-])Oc1c(F)c(F)cc(F)c1F 90636417 YCPHYOBSBOVNNZ-UHFFFAOYSA-N 319.170 1.953 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 169617785 DWBRKRTWHDOAPE-WFGGJUAMSA-N 314.297 1.736 5 40 DDBB Nc1nc(NCc2ccccc2-n2ccnc2)ncc1[N+](=O)[O-] 91506261 ABFIKYMNHXIHOL-UHFFFAOYSA-N 311.305 1.765 5 40 DDBB CCCn1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 1839126 YERNLAOZULFUNI-UHFFFAOYSA-N 310.701 1.897 5 40 DDBB Cc1nnc(Sc2ccc([N+](=O)[O-])cn2)n1CC(=O)N(C)C 58162381 ISGJZXWYTJBCRD-UHFFFAOYSA-N 322.350 1.129 5 40 DDBB Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1[N+](=O)[O-] 101037964 MGXPBFSXDVZTQW-CYDGBPFRSA-N 318.285 1.496 5 40 DDBB CC(C)OCCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 25603114 JQLMQIWRWTXGIH-OAHLLOKOSA-N 321.333 1.787 5 40 DDBB Cc1nn(CC(=O)Nn2cnc3ccccc32)c(C)c1[N+](=O)[O-] 14118628 JAIXISSWOUIWBS-UHFFFAOYSA-N 314.305 1.528 5 40 DDBB O=[N+]([O-])c1ccc(OC[C@@H](O)CNc2ncccc2F)cc1 84484904 VVVVYOUFEVJYBE-NSHDSACASA-N 307.281 1.981 5 40 DDBB CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@@H]2C)cc1OC 89988859 HOIOKZADQFZLIM-KOLCDFICSA-N 324.333 1.909 5 40 DDBB Cc1cc(C(=O)N2CCC(C(=O)N(C)C)CC2)ccc1[N+](=O)[O-] 33028427 XQVXJYQOEXIPDT-UHFFFAOYSA-N 319.361 1.844 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1C[C@H]1c1cnn(C)c1 78556525 VCOLOSIQHYBBQF-RYUDHWBXSA-N 319.321 1.180 5 40 DDBB O=[N+]([O-])c1ccc(N2CC[C@H](CN3CCOCC3)C2)c(F)c1 96429717 CYSMWUBMVYTWKS-GFCCVEGCSA-N 309.341 1.892 5 40 DDBB Cc1ccc(C(=O)NCCN2C(=O)CSC2=O)cc1[N+](=O)[O-] 40554750 DZWQHWOOUHXYHY-UHFFFAOYSA-N 323.330 1.328 5 40 DDBB CC(=O)c1ccc(NCCc2nnc3n2CCC3)c([N+](=O)[O-])c1 75572163 IBVDQUDICHYDFM-UHFFFAOYSA-N 315.333 1.990 5 40 DDBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n1nnc2ccccc21 2739180 QJAIZUBBFWRZEX-UHFFFAOYSA-N 313.229 1.936 5 40 DDBB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 44551510 HGPFCIBVTORZCE-YPMHNXCESA-N 303.318 1.947 5 40 DDBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCCC1=O 3348431 ZKECOURMMWYMHX-VMPITWQZSA-N 318.285 1.300 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1 5156786 DLDXRJVETJAQAE-SECBINFHSA-N 310.358 1.262 5 40 DDBB Cc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 97163823 YSQABGCHJXCOKT-UHFFFAOYSA-N 301.302 1.976 5 40 DDBB CN1CCC[C@H](N2CCN(c3sccc3[N+](=O)[O-])CC2)C1 96492812 IFTSIPGUEIJAFH-LBPRGKRZSA-N 310.423 1.873 5 40 DDBB Cn1cc(CCCn2cc(Br)c([N+](=O)[O-])n2)cn1 88499712 CZDAKAADMSLEDT-UHFFFAOYSA-N 314.143 1.920 5 40 DDBB CN(C)C(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 1332913 SHDVMXYGDZEDKP-UHFFFAOYSA-N 321.362 1.571 5 40 DDBB COc1ncnc2c1N[C@@H](NO)c1cc([N+](=O)[O-])ccc1S2 12389994 HEXASBGZOYSWEH-JTQLQIEISA-N 321.318 1.948 5 40 DDBB Cc1nonc1O[C@@H](C)CNCCNc1ccc([N+](=O)[O-])cc1 4168257 YABNBMMQOMXIHB-JTQLQIEISA-N 321.337 1.755 5 40 DDBB C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)C[C@@H](C)O1 5149843 GHTVZHHGJPMSQY-NXEZZACHSA-N 322.369 1.181 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SCCO 7198456 LUAFBHNHJKBRKQ-MRVPVSSYSA-N 300.336 1.656 5 40 DDBB CCc1nccn1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 96009513 KXTRXGSRIKFIRS-UHFFFAOYSA-N 309.347 1.828 5 40 DDBB Cc1nnc(CN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 72305389 YVOBOBMKFIGNNO-UHFFFAOYSA-N 304.310 1.696 5 40 DDBB Cc1nsc(N2CCCN(c3ncccc3[N+](=O)[O-])CC2)n1 78557812 ARLIAAZSZXMDAT-UHFFFAOYSA-N 320.378 1.866 5 40 DDBB Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](C)c2nnn[nH]2)c1 124274480 IAPRMGSUVLQFLS-SECBINFHSA-N 304.310 1.292 5 40 DDBB O=[N+]([O-])c1nn(CC(F)F)cc1I 72339380 GSZZYMGNNCAOGQ-UHFFFAOYSA-N 303.006 1.661 5 40 DDBB C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Cn1ccnc1 81800783 FZBUONUMCXGAHH-SNVBAGLBSA-N 306.297 1.997 5 40 DDBB C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@@H]2CC[C@@H]1C2 102281843 ZONYYYGPRLBDKH-HKUMRIAESA-N 319.361 1.697 5 40 DDBB O=C(NN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408680230 FZLWIMMRHATSNL-TXEJJXNPSA-N 315.285 1.191 5 40 DDBB CSC1(CNc2c([N+](=O)[O-])c(C)nn2C)CCOCC1 96429741 LZTFFUKOAQYMED-UHFFFAOYSA-N 300.384 1.961 5 40 DDBB COCCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 58244949 YYXAUQUQQSJUCH-UHFFFAOYSA-N 321.377 1.364 5 40 DDBB O=C(Nc1cc[nH]n1)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 6413921 DZIHIUXTQWIOFX-UHFFFAOYSA-N 312.289 1.815 5 40 DDBB Cc1nn([C@@H]2CCCN(c3cnn(C)c3)C2=O)c(C)c1[N+](=O)[O-] 76062497 GVERSGCDWWASAR-GFCCVEGCSA-N 318.337 1.510 5 40 DDBB O=C(Nc1cccnc1)c1n[nH]c([N+](=O)[O-])c1Br 6402557 JHUDWPDNIJIQIW-UHFFFAOYSA-N 312.083 1.728 5 40 DDBB C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@H]2CC[C@H]1C2 104615420 ZONYYYGPRLBDKH-MNXVOIDGSA-N 319.361 1.697 5 40 DDBB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])o1 408730240 GEIIXGCHCVMOAA-NSHDSACASA-N 309.278 1.721 5 40 DDBB Cn1cccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1 4564451 KPQSZQDAJBMRKN-UHFFFAOYSA-N 303.274 1.729 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1SCCNC1=O 8559515 OSAGIWAZJQCGJG-NSHDSACASA-N 309.347 1.463 5 40 DDBB CC(=O)Nc1cccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 58014141 WBBGUAVGZRAEBK-UHFFFAOYSA-N 317.305 1.697 5 40 DDBB CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 5930070 VVFBCIUMGPLAFX-UHFFFAOYSA-N 300.318 1.812 5 40 DDBB CN(C)C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1Cl 95456951 BEZDZYUULVSMQN-UHFFFAOYSA-N 300.746 1.956 5 40 DDBB CCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nncn1N 70462421 JXHMPPULMYABDI-UHFFFAOYSA-N 309.307 1.228 5 40 DDBB Cc1ccc(-n2ccc3nc4ccn(N)c(=O)c4cc3c2=O)cc1 40398597 VZUUTECWLACGGK-UHFFFAOYSA-N 318.336 1.723 5 40 DDBB NC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 5670858 WCXLBIRCJHWEEL-UHFFFAOYSA-N 311.725 1.586 5 40 DDBB Cc1nn(CC(=O)N[C@@H](C)CCc2ccco2)cc1[N+](=O)[O-] 2730610 SROQXWKAMUQKAO-JTQLQIEISA-N 306.322 1.830 5 40 DDBB Cc1nnc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)s1 8997485 OMUPQDUCEBFKTN-UHFFFAOYSA-N 311.348 1.881 5 40 DDBB COC(=O)[C@@H]1CCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 97104024 JHCHEGNWJNZZND-NSHDSACASA-N 319.317 1.621 5 40 DDBB Cc1cc(S(=O)(=O)NCc2ccncc2)ccc1[N+](=O)[O-] 95453286 ICGUQBUECAAJMA-UHFFFAOYSA-N 307.331 1.777 5 40 DDBB COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)OC)cc([N+](=O)[O-])c1 16206429 LXLZSRFMSDMSIO-ZETCQYMHSA-N 311.246 1.100 5 40 DDBB COP(=O)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])OC 3182049 CROWTIBVLDZYGC-UHFFFAOYSA-N 310.224 1.274 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1cnn(C)c1 102620914 DFXXOVJZUQDGTL-UHFFFAOYSA-N 302.334 1.999 5 40 DDBB COC(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cc1[N+](=O)[O-] 78551780 FZMZPIHEUVTRFA-JTQLQIEISA-N 311.269 1.903 5 40 DDBB CC(C)(C)C(=O)N1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 96445724 UPHQGBQSISQYCD-UHFFFAOYSA-N 323.397 1.372 5 40 DDBB Cc1nn(C)c(NCC2CCC3(CC2)OCCO3)c1[N+](=O)[O-] 96447888 ITDHHFPTAUMPKG-UHFFFAOYSA-N 310.354 1.982 5 40 DDBB CCn1cc(CN(C)C(=O)c2nn(C)cc2[N+](=O)[O-])c(C)n1 2777957 RTWZLACAEMFBIV-UHFFFAOYSA-N 306.326 1.125 5 40 DDBB CCC(CC)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 8937041 CWNQIVVHQNQUQP-UHFFFAOYSA-N 307.306 1.808 5 40 DDBB O=C(O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O 409148742 RDDKAHFMGIHJIC-XBXARRHUSA-N 324.270 1.421 5 40 DDBB Cc1cccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c1[N+](=O)[O-] 39501440 GPQFGUTXECCWFE-LLVKDONJSA-N 323.305 1.280 5 40 DDBB Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])s3)CC2)no1 72302113 NGTZJZUXHRHDGS-UHFFFAOYSA-N 309.351 1.670 5 40 DDBB CCOC(=O)C[C@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N 89983643 CUWMYRIDFKKMGC-JTQLQIEISA-N 323.349 1.805 5 40 DDBB Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1C(=O)NCc1ccco1 79052453 RWTXTNVTURPEAZ-LLVKDONJSA-N 319.321 1.207 5 40 DDBB CO[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 195557599 JBNPBVJLPQJFFS-UONOGXRCSA-N 307.350 1.102 5 40 DDBB C[N+]1([O-])[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 100092856 HGWPFSBHDACWNL-LBFDXBLBSA-N 305.374 1.944 5 40 DDBB in-man CC[C@H](C)NS(=O)(=O)CCn1nc(C)c([N+](=O)[O-])c1C 14020624 VMSJMRSEZZWENF-QMMMGPOBSA-N 304.372 1.126 5 40 DDBB CCn1nc(C)c([N+](=O)[O-])c1N1CCc2nc(N)sc2C1 225455425 WZTGPKMGEYMQJA-UHFFFAOYSA-N 308.367 1.721 5 40 DDBB O=[N+]([O-])c1ccc(N2CCN(C(=S)NC3CC3)CC2)cc1 13828899 YLLPAJCMDGMSQI-UHFFFAOYSA-N 306.391 1.754 5 40 DDBB C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 14220968 GYBUPFVMQKOAME-ONGXEEELSA-N 300.336 1.441 5 40 DDBB NC(=O)[C@@H]1C(=O)c2ccccc2[C@@]1(C[N+](=O)[O-])c1ccccc1 1690849 WLXQWHPNVGRJGU-WMLDXEAASA-N 310.309 1.547 5 40 DDBB CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 6026507 FUKYDARRNQEVJD-UHFFFAOYSA-N 315.351 1.048 5 40 DDBB NC(=O)[C@@H]1C[C@H](O)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33010940 IDTPKXCYXFDUOD-XVKPBYJWSA-N 319.239 1.039 5 40 DDBB CN(C)C[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 69593822 RTGRCDKXSUBQHM-AWEZNQCLSA-N 321.377 1.916 5 40 DDBB COC(=O)c1cc(Cn2cccc([N+](=O)[O-])c2=O)c(C)s1 84028532 BZKFMOVPGYDWJJ-UHFFFAOYSA-N 308.315 1.961 5 40 DDBB C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 23509317 MZHDCDLFIPHOSD-STQMWFEESA-N 321.377 1.824 5 40 DDBB O=[N+]([O-])c1ccc(-c2nc(CCN3CCOCC3)n[nH]2)cc1 62719530 AWQZBYHAJXDXRD-UHFFFAOYSA-N 303.322 1.255 5 40 DDBB Nc1ncnc(Oc2cc(=O)oc3ccccc23)c1[N+](=O)[O-] 3912716 GUECODXHHUSAAY-UHFFFAOYSA-N 300.230 1.866 5 40 DDBB CC(C)c1ccc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)cc1[N+](=O)[O-] 92007140 FTKUNAZJJZVYIQ-ABAIWWIYSA-N 321.377 1.793 5 40 DDBB CN(C)C[C@H](O)Cn1cc(Nc2ccc([N+](=O)[O-])cc2F)cn1 69774546 ANORGAVHGKDSIK-LBPRGKRZSA-N 323.328 1.597 5 40 DDBB NS(=O)(=O)c1cccc(N2CCC3(CCC3)C2)c1[N+](=O)[O-] 97115378 CGSRMGGDGSBYPT-UHFFFAOYSA-N 311.363 1.623 5 40 DDBB O=[N+]([O-])c1ccc(OC2CN(C[C@@H](O)C(F)(F)F)C2)cc1 189461945 AXONSIUQXMKODG-LLVKDONJSA-N 306.240 1.581 5 40 DDBB COc1cc(CCNC(=O)NC2CC2)c([N+](=O)[O-])cc1OC 32843660 LTWORKXNIMHKJQ-UHFFFAOYSA-N 309.322 1.616 5 40 DDBB C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 102281833 ZONYYYGPRLBDKH-SFTQSGBHSA-N 319.361 1.697 5 40 DDBB Cc1cnn(CC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 48254094 JFLPOGPRTBTABY-UHFFFAOYSA-N 303.322 1.328 5 40 DDBB O=[N+]([O-])c1cc2c(c(CN3CCC[C@H](CO)C3)c1)OCOC2 49622720 PJPSZBAKDPCXQK-NSHDSACASA-N 308.334 1.666 5 40 DDBB CC[C@](C)(NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)OC 67992489 ORLFKRYSHUIFCQ-ZDUSSCGKSA-N 316.260 1.945 5 40 DDBB O=C(Nc1cncnc1N1CCCC1)c1ccc([N+](=O)[O-])o1 97137716 YJBZRJRVGQTFJO-UHFFFAOYSA-N 303.278 1.830 5 40 DDBB O=[N+]([O-])[C@@H]1C=Cn2c(OCc3ccc(Cl)nc3)cnc2O1 514282362 XUBXHDXUMFHBMU-JTQLQIEISA-N 308.681 1.976 5 40 DDBB O=C(NCCNc1ncc(Cl)cc1[N+](=O)[O-])c1cccnc1 153584456 POXUVBGMLNHUED-UHFFFAOYSA-N 321.724 1.880 5 40 DDBB Cc1ccccc1CN1CCN(c2[nH]ncc2[N+](=O)[O-])CC1 22238456 LLTRBCVACFCRBX-UHFFFAOYSA-N 301.350 1.949 5 40 DDBB O=[N+]([O-])c1cccnc1NC[C@H]([C@@H]1CCOC1)N1CCOCC1 25067421 OAXSLFXQPPWCGU-TZMCWYRMSA-N 322.365 1.139 5 40 DDBB C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1nc2ccccc2[nH]1 97045560 PMVXPRLKVMULAA-QMMMGPOBSA-N 314.305 1.696 5 40 DDBB CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 4253862 UHZHBEYLGMTKAQ-UHFFFAOYSA-N 315.351 1.048 5 40 DDBB CCN(CCCNc1ccc([N+](=O)[O-])cc1F)S(C)(=O)=O 38035983 SAWQYAWNSZTCPS-UHFFFAOYSA-N 319.358 1.817 5 40 DDBB NC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 69738705 NIHHYTSSMPSLBZ-LLVKDONJSA-N 318.308 1.885 5 40 DDBB NC(=O)CCn1ccc(Nc2nc3sccn3c2[N+](=O)[O-])n1 72287540 FZLALVKFOOGYQK-UHFFFAOYSA-N 321.322 1.120 5 40 DDBB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 97143899 MINUGCVONYZXRN-NSHDSACASA-N 305.290 1.740 5 40 DDBB CCOc1cc2c(cc1Cn1cnc([N+](=O)[O-])n1)O[C@H](C)C2 96408049 KWHTYGZNRDWKCY-SECBINFHSA-N 304.306 1.957 5 40 DDBB CC(C)CNC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 25706638 KPJUUPZWMPQYNP-UHFFFAOYSA-N 307.350 1.817 5 40 DDBB O=C1CN(Cc2cc(=O)oc3ccc4ccccc4c23)CCN1 16585509 WUQDTBVJMVRPMY-UHFFFAOYSA-N 308.337 1.878 5 40 DDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)OC[C@H]1C 106074083 DCRYJYNARQRYIX-MNOVXSKESA-N 314.363 1.701 5 40 DDBB CC(=O)N[C@H](C(=O)N(C)Cc1cccc([N+](=O)[O-])c1)C(C)C 24947475 GNQXSADBHWOFLC-AWEZNQCLSA-N 307.350 1.714 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](CO)c1ccccc1 65603648 KMTCMTYIWJKKLS-LBPRGKRZSA-N 302.290 1.234 5 40 DDBB Cc1nnc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 95995773 MCZRVZJPRWDCOL-UHFFFAOYSA-N 314.348 1.697 5 40 DDBB CN(CCOc1ccccc1F)CCn1cc([N+](=O)[O-])cn1 75147471 FMMLNMCGPJFYKC-UHFFFAOYSA-N 308.313 1.941 5 40 DDBB Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(CCCC2)C1 195566550 XVHAWHYZUZRONG-UHFFFAOYSA-N 305.334 1.962 5 40 DDBB CCC(=O)Nc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 40555288 DLYFCQMPLJJRFW-UHFFFAOYSA-N 318.293 1.174 5 40 DDBB CCC(=O)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 95432613 IYBULQINXGCBRL-CQSZACIVSA-N 307.350 1.182 5 40 DDBB Cc1cccn2cc(CCNc3ncc([N+](=O)[O-])c(N)n3)nc12 75091865 CAMVRWLGVLAIEX-UHFFFAOYSA-N 313.321 1.578 5 40 DDBB Cc1nccn1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 264533 OLKHBCFYEBJJBG-UHFFFAOYSA-N 301.711 1.990 5 40 DDBB O=[N+]([O-])c1ccc(NCCS(=O)(=O)Nc2ccccn2)nc1 69620575 KTIIVUIWBQSTDR-UHFFFAOYSA-N 323.334 1.239 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C(F)(F)F)C1 40504983 BBGLSZKHMHGTMV-SSDOTTSWSA-N 318.255 1.867 5 40 DDBB COc1ccc([C@@H]2C([N+](=O)[O-])=C(N)Oc3[nH]nc(C)c32)cc1 481915 YXHFZODRYRFMBM-NSHDSACASA-N 302.290 1.656 5 40 DDBB O=C(NCc1ccco1)[C@H]1CCCN1c1ncccc1[N+](=O)[O-] 72281898 NVDCJZWBTFQEAZ-CYBMUJFWSA-N 316.317 1.868 5 40 DDBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@](C)(C(=O)O)C1 71979622 RVOHUBGQGUALGH-AWEZNQCLSA-N 321.289 1.567 5 40 DDBB CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cnn(C)c2C)n1 2778288 WECDQFBBNGQNDB-UHFFFAOYSA-N 306.326 1.125 5 40 DDBB Cc1ccc([N+](=O)[O-])c(OCCn2nc3ccccn3c2=O)c1 32815464 MMRKKZQOXKZSOS-UHFFFAOYSA-N 314.301 1.792 5 40 DDBB OCC[n+]1c2ccccc2nc2ccc(N3CCOCC3)cc21 4140721 GNWBCWMEPWXQGO-UHFFFAOYSA-N 310.377 1.504 5 40 DDBB Cc1ccc2[nH]c3nc4nnc(SCC(=O)O)n4nc3c2c1 4302453 LZPGBHZUBCMDJU-UHFFFAOYSA-N 314.330 1.639 5 40 DDBB CN1CCO[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 79983145 ZOBKSRNTCNAWIS-CYBMUJFWSA-N 307.350 1.277 5 40 DDBB CC(C)OC(=O)c1ccc(Sc2nncn2N)c([N+](=O)[O-])c1 70462346 KMAJJMYZWCWTBT-UHFFFAOYSA-N 323.334 1.617 5 40 DDBB C[C@H]1CCc2ccccc2N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 107145677 QPBBHYOLSDJREN-WFASDCNBSA-N 316.361 1.994 5 40 DDBB C[C@@H]1CN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 26781533 SUTKLJLHGLPXCR-BZPMIXESSA-N 310.350 1.444 5 40 DDBB CC(C)(C)OC(=O)CS(=O)(=O)c1ccccc1[N+](=O)[O-] 67172800 PFHWGECGAWICPN-UHFFFAOYSA-N 301.320 1.710 5 40 DDBB CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)CNC(C)(C)C 77311693 UTFMIXVPSUKJQJ-LBPRGKRZSA-N 310.350 1.925 5 40 DDBB in-vitro O=[N+]([O-])c1cnn(Cc2nnnn2-c2cccc(Cl)c2)c1 96193753 QURMOMXPZCAVAA-UHFFFAOYSA-N 305.685 1.469 5 40 DDBB O=[N+]([O-])c1cccc(-n2nnnc2CNC2CCCCC2)c1 4907300 KYYKRNAIMBQGQO-UHFFFAOYSA-N 302.338 1.993 5 40 DDBB CCOc1ccc(C(=O)Nc2nnn(CC)n2)cc1[N+](=O)[O-] 557804 YFCYTFAJJOUZEN-UHFFFAOYSA-N 306.282 1.252 5 40 DDBB Cc1[nH]nc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1[N+](=O)[O-] 78996948 OPSOYTLJWVFTQK-MNOVXSKESA-N 302.290 1.014 5 40 DDBB Cc1cc(C(=O)NCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] 22913935 OJVJRFFYJQNVPB-UHFFFAOYSA-N 320.393 1.271 5 40 DDBB C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])N1CCCCC1=O 194257270 OTVAREFTGGDRST-JTQLQIEISA-N 323.324 1.865 5 40 DDBB CC(C)(NC(=O)c1nccnc1N)c1ccc([N+](=O)[O-])cc1 96456605 ALYHTTHTEPNIOG-UHFFFAOYSA-N 301.306 1.632 5 40 DDBB COc1ccc(Cc2noc([C@H]3C[C@H]3[N+](=O)[O-])n2)cc1OC 96405297 ZTOPKNJUUAMGFO-VHSXEESVSA-N 305.290 1.810 5 40 DDBB Cc1cc(S(=O)(=O)NCCc2cccnc2)ccc1[N+](=O)[O-] 96406673 PIQKOVSZGRAGJM-UHFFFAOYSA-N 321.358 1.819 5 40 DDBB O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1 6220854 PZQZVERLMAHZBH-RYUDHWBXSA-N 300.336 1.177 5 40 DDBB COc1ccc(C(=O)NCCCN2CCOCC2)cc1[N+](=O)[O-] 19859180 QJUDARKPZDIXKN-UHFFFAOYSA-N 323.349 1.056 5 40 DDBB Cc1nn(Cc2cc(=O)n3ccsc3n2)c(C)c1[N+](=O)[O-] 4548829 RHCXGZGMEBROOH-UHFFFAOYSA-N 305.319 1.526 5 40 DDBB Nc1ccccc1-c1nnc(Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 12561753 QHTUVSNTUMIMKX-UHFFFAOYSA-N 323.312 1.913 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCCOCC2CC2)cc1 9389927 LJSSQNUIVDGQQH-UHFFFAOYSA-N 314.363 1.690 5 40 DDBB O=C(NCCc1nnc2n1CCCC2)c1ccc([N+](=O)[O-])s1 97101055 RXHJLFYNUVORSH-UHFFFAOYSA-N 321.362 1.557 5 40 DDBB COC1(C)CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 95452439 SQWUWEFEKANNDF-UHFFFAOYSA-N 300.336 1.223 5 40 DDBB CC(C)CO[C@@H](C)c1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1 89840265 NCNNUYLOBILLBJ-JTQLQIEISA-N 322.321 1.921 5 40 DDBB COCCN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 409140236 QBCPVIYSIPKYBH-YRNVUSSQSA-N 324.314 1.983 5 40 DDBB O=C(O)c1nn(-c2ccc(Br)cn2)nc1[N+](=O)[O-] 89263486 YHMUSGXPWMDYJG-UHFFFAOYSA-N 314.055 1.031 5 40 DDBB O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 18036630 WDHWVBYYVWBZGG-BKUVIOGVSA-N 320.688 1.691 5 40 DDBB CCCC[N+](C)(C)CCC(=O)NC(C)(C)CS(=O)(=O)O 2239807 FWJIOJKMVVOZAH-UHFFFAOYSA-O 309.452 1.036 5 40 DDBB Cc1c(Cn2cnc3c(c2=O)CCCN3)cccc1[N+](=O)[O-] 69742313 GXBJVQIBCSQJEQ-UHFFFAOYSA-N 300.318 1.866 5 40 DDBB CCN(CC)CCn1cc(Nc2c([N+](=O)[O-])c(C)nn2C)cn1 72285208 XAZMGBFLZGBJPJ-UHFFFAOYSA-N 321.385 1.919 5 40 DDBB O=[N+]([O-])c1cnn(CCSc2nc(-c3ccccn3)n[nH]2)c1 78967216 SSZPMUOMSJVFJS-UHFFFAOYSA-N 317.334 1.764 5 40 DDBB CCN[C@H](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O 5258503 KMJVMMRPMGRMFT-SECBINFHSA-N 315.713 1.640 5 40 DDBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 101543528 IEVSXMDYTCGQRG-VSICPBCXSA-N 318.373 1.791 5 40 DDBB CCCNC(=O)CN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 29622373 KIZYCUXERTYZGP-UHFFFAOYSA-N 321.381 1.392 5 40 DDBB Cc1nn(CCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1[N+](=O)[O-] 2776918 HIARTZWIZXXOSR-UWVGGRQHSA-N 310.354 1.434 5 40 DDBB CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 8328957 VMRWZAUSNXOXQX-UHFFFAOYSA-N 301.302 1.810 5 40 DDBB O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2 12485939 HMYHRUQDASRMDJ-UHFFFAOYSA-N 317.257 1.736 5 40 DDBB O=C(O)CCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1811406 OLZMEKXMURAPSJ-UHFFFAOYSA-N 316.335 1.518 5 40 DDBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCN1C(=O)CCC1=O 58250881 MHIUELZWAYSGRP-LLVKDONJSA-N 305.334 1.737 5 40 DDBB O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 2552634 MJEHEGPWQFISSE-VIFPVBQESA-N 314.319 1.080 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@H](O)COCc2ccccc2)cn1 95398334 PVXAJARWGAREQU-AWEZNQCLSA-N 303.318 1.979 5 40 DDBB COc1ccc(-c2nn3nnc4ccccc4c3nc2=O)cc1 89453948 FODOJUKBTWKCOI-UHFFFAOYSA-N 305.297 1.708 5 40 DDBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccn1 409204418 GLNMFULTXDKJDQ-UHFFFAOYSA-N 301.258 1.785 5 40 DDBB CC(=O)Nc1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1Cl 45891648 LATXOZHGPVRVNI-UHFFFAOYSA-N 312.757 1.958 5 40 DDBB O=C(Cn1ccc([N+](=O)[O-])n1)NCCc1c[nH]c2ccccc12 1432148 FDVXGGTZJOPTSA-UHFFFAOYSA-N 313.317 1.632 5 40 DDBB C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 14220839 JMIKSBBXZQEPBL-BXKDBHETSA-N 300.336 1.441 5 40 DDBB O=C1N=C(O)C[C@@H]1N(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 96703780 WJURQVBLGMQGKY-NSHDSACASA-N 321.264 1.594 5 40 DDBB O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)NC[C@@H]1CCCO1 89807675 SAZQTQNTCDQESU-HNNXBMFYSA-N 319.361 1.248 5 40 DDBB CCS(=O)(=O)C[C@H](C)N(C)c1ncc(Cl)cc1[N+](=O)[O-] 96483127 DMCHJNKDOCIGCE-QMMMGPOBSA-N 321.786 1.903 5 40 DDBB O=C(NCCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 5251539 GGRUVJSSLPKELO-UHFFFAOYSA-N 313.313 1.892 5 40 DDBB O=C(c1ccccn1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 32005603 ZRWLCWVOLPZZIM-UHFFFAOYSA-N 313.317 1.347 5 40 DDBB CCn1cc(CN(C)C(=O)c2nn(CC)cc2[N+](=O)[O-])cn1 2778567 MTUAZTWGYUISEX-UHFFFAOYSA-N 306.326 1.300 5 40 DDBB COC(=O)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C 6083021 BKELFVAVGVYMDM-NSHDSACASA-N 316.335 1.071 5 40 DDBB O=[N+]([O-])c1ccc(OC[C@H](O)Cn2nnc3ccccc32)cc1 504351 GSDGOGPUQYPXJU-GFCCVEGCSA-N 314.301 1.779 5 40 DDBB NC(=O)N1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 175157566 BRHAEJAQZRNZFK-UHFFFAOYSA-N 312.757 1.835 5 40 DDBB C[C@H](c1ccncc1)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 89910224 LZNSVSOSTACRLM-LLVKDONJSA-N 303.322 1.796 5 40 DDBB COC(=O)c1nccnc1NC(=O)c1ccc([N+](=O)[O-])cc1 71255897 DTKBSULXVBMWGI-UHFFFAOYSA-N 302.246 1.424 5 40 DDBB CN1CC[C@@H](CN(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 96430910 SDTBKGAOVJMIRB-CYBMUJFWSA-N 320.393 1.441 5 40 DDBB O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 247322140 MFFLPLZYIUINHA-GYBADROVSA-N 302.286 1.836 5 40 DDBB O=c1[nH]c2ccc3c(=O)n(-c4nncs4)c(=O)c4ccc1c2c34 5553792 GTSVOXCTSNQGRA-UHFFFAOYSA-N 322.305 1.073 5 40 DDBB Cn1cc([N+](=O)[O-])c(-c2nn3c(C(F)F)nnc3s2)n1 20606003 ZLPYAEKXJWBDEK-UHFFFAOYSA-N 301.238 1.432 5 40 DDBB O=c1c2cnc3ncnn3c2ccn1-c1ccc([N+](=O)[O-])cc1 19974164 JUJGUYMYTAQYPW-UHFFFAOYSA-N 308.257 1.337 5 40 DDBB Cc1c(CSc2nnc(C)n2CC(N)=O)cccc1[N+](=O)[O-] 69617456 HRKWKGJKTZIXBU-UHFFFAOYSA-N 321.362 1.581 5 40 DDBB CNC(=O)c1ccc(NCCc2cncn2C)c([N+](=O)[O-])c1 97108389 QDAKLRUGMGQPCX-UHFFFAOYSA-N 303.322 1.343 5 40 DDBB CCNC(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 71892855 FSBUYXOPEHULFA-UHFFFAOYSA-N 306.366 1.484 5 40 DDBB O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCN2CCCC[C@H]12 69586320 RKPMLZZMCSNULH-LSDHHAIUSA-N 319.361 1.717 5 40 DDBB Cc1nc2n(n1)[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2 20716318 KVJQQIXJFZELSJ-SNVBAGLBSA-N 316.277 1.017 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCO[C@@H](C)C1 54192333 PBMARUHSVXJXAX-JTQLQIEISA-N 309.322 1.263 5 40 DDBB Cc1cc(C)c(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)c1 64927735 AYZCYBKYJBKQCB-UHFFFAOYSA-N 315.329 1.829 5 40 DDBB CCOC(=O)Cn1/c(=N/C(C)=O)sc2cc([N+](=O)[O-])ccc21 56915916 UQBNDKCIWTXFPG-YPKPFQOOSA-N 323.330 1.621 5 40 DDBB COC(=O)c1c([N+](=O)[O-])c(OC)c(C)c(N(C)C)c1[N+](=O)[O-] 5336401 KVMBAFLHHVQXKY-UHFFFAOYSA-N 313.266 1.673 5 40 DDBB CCN1CC2=C(C1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2C 57531493 SPHIOXOEONABGO-CYBMUJFWSA-N 316.317 1.407 5 40 DDBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)C[C@H](C)O1 5149838 GHTVZHHGJPMSQY-UWVGGRQHSA-N 322.369 1.181 5 40 DDBB C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 217342384 YPFUMAKGRZTFRY-UUIJZJDISA-N 300.270 1.428 5 40 DDBB CN(C)c1ccc(C(=O)/N=c2/sccn2C)cc1[N+](=O)[O-] 15940862 GRHGCPJLPFIBNI-BUHFOSPRSA-N 306.347 1.802 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])cn1)NCCc1c[nH]c2ccccc12 1432170 YQEWIPUSZKIUCD-UHFFFAOYSA-N 313.317 1.632 5 40 DDBB CNC(=O)c1cnc(/C=C/c2cccc([N+](=O)[O-])c2)[nH]c1=O 71796363 QZXIYBPWPOEMAM-AATRIKPKSA-N 300.274 1.208 5 40 DDBB C[C@H](C[S@](C)=O)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F 95942198 SASGUGWJYKZRKB-IJSAXESFSA-N 317.342 1.965 5 40 DDBB O=C1Nc2ccccc2/C1=C\c1nc(O)nc(O)c1[N+](=O)[O-] 409313346 OHNVQOLBUDFGKI-FNORWQNLSA-N 300.230 1.289 5 40 DDBB O=C(CNc1ccccc1[N+](=O)[O-])NCCCCn1ccnc1 79050381 GLCLQFPTOGIJGS-UHFFFAOYSA-N 317.349 1.800 5 40 DDBB Cc1ccnc2nc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nn12 12825384 LERFNYJYSYFKDW-UHFFFAOYSA-N 316.252 1.732 5 40 DDBB CNC(=O)c1ccc(NCCNc2ccccc2[N+](=O)[O-])nn1 75147148 XDWVNADVEBOPCO-UHFFFAOYSA-N 316.321 1.268 5 40 DDBB Cc1cc([N+](=O)[O-])cc2c1NC(=O)[C@]2(O)N1CCC[C@H](C)C1 12473768 BQFKSLBLOMEADE-VFZGTOFNSA-N 305.334 1.732 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 64337437 BZFMCOSVGRRKKU-NWDGAFQWSA-N 322.321 1.778 5 40 DDBB CCc1csc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)n1 95426837 XHCOHBHTVSVNBJ-UHFFFAOYSA-N 310.339 1.632 5 40 DDBB C[C@H]1CN(C[C@@H]2CCCN2c2ncc([N+](=O)[O-])cn2)C[C@@H](C)O1 160496367 GIFDVNLPQKWKKR-XQQFMLRXSA-N 321.381 1.463 5 40 DDBB CC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 3505294 LRSGKOWMOVVHBQ-UHFFFAOYSA-N 323.305 1.376 5 40 DDBB COC(=O)c1cc(C(=O)OC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 25396938 XRTZOWZILUCSRB-LBPRGKRZSA-N 309.274 1.717 5 40 DDBB NC(=O)C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 16694750 NDVUYYCXUFLGAF-UHFFFAOYSA-N 321.333 1.159 5 40 DDBB CN1CCN(C[C@H]2CN(c3ccccc3[N+](=O)[O-])CCO2)CC1 95351535 GTBLNUSVJKGJLP-AWEZNQCLSA-N 320.393 1.047 5 40 DDBB COC[C@@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 75140806 JKHAYNBTONNADQ-QMMMGPOBSA-N 303.702 1.377 5 40 DDBB O=C(O)c1nn(-c2ccccc2C(F)(F)F)nc1[N+](=O)[O-] 89263455 HTSUJASRZJEAES-UHFFFAOYSA-N 302.168 1.893 5 40 DDBB C[N@+]12CCCC[C@@H]1[C@@H](COCC(=O)N1CCOCC1)CCC2 585162684 BWUWEVLAZIDXFV-GPMSIDNRSA-N 311.446 1.271 5 40 DDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCOC(C)C 46033734 KOTOYTNCNOKTAU-UHFFFAOYSA-N 316.379 1.997 5 40 DDBB O=C(C[C@@H]1C=CCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 33110937 CNCSDPQULNWENS-CYBMUJFWSA-N 316.361 1.995 5 40 DDBB COc1ccc(CN(C#N)c2nc(C)nc(C)n2)cc1[N+](=O)[O-] 26803409 ZNFHVXKWERUKJW-UHFFFAOYSA-N 314.305 1.893 5 40 DDBB CC1=CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 225547359 PVARJAHESPRUJY-UHFFFAOYSA-N 304.350 1.559 5 40 DDBB O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 335947 MQIPTPLXIDLWNN-UHFFFAOYSA-N 320.326 1.756 5 40 DDBB Cc1cc(C)nc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 97143045 OSVDVQHPWNPTIW-UHFFFAOYSA-N 304.310 1.625 5 40 DDBB NC(=O)[C@@H]1CCCN(CCCNc2ccc(F)cc2[N+](=O)[O-])C1 58264695 WUEKEFIHINIQSO-LLVKDONJSA-N 324.356 1.733 5 40 DDBB C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 78947601 ZLLCHMBWSIMHGJ-AAEUAGOBSA-N 318.333 1.440 5 40 DDBB CCC(N)(CC)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 195544640 UBVIWFVGNOQLAF-UHFFFAOYSA-N 315.395 1.699 5 40 DDBB O=C(CCCCCO)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2060999771 FLOMKBBLDKHHDN-ZDUSSCGKSA-N 324.333 1.259 5 40 DDBB O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1c1ccccc1 4558094 FASUMANJBDEXRK-UHFFFAOYSA-N 304.283 1.944 5 40 DDBB O=C(NCC1CCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 31441492 YCSDCUKOJOOPAC-UHFFFAOYSA-N 319.361 1.961 5 40 DDBB CC(C)OCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 6345595 SBFACPKVZXEALY-UHFFFAOYSA-N 302.352 1.688 5 40 DDBB Nc1ccc(C(=O)OCC(=O)NCC(F)(F)F)cc1[N+](=O)[O-] 5692991 ZPGYVSGYIQSGBM-UHFFFAOYSA-N 321.211 1.012 5 40 DDBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1 8076175 PAPBPGPIJNZWIL-JTQLQIEISA-N 305.334 1.772 5 40 DDBB CC(=O)N1CCC[C@H]1C(=O)N1CCCc2c1cccc2[N+](=O)[O-] 95436695 LQHKPRRVMZVKGR-HNNXBMFYSA-N 317.345 1.885 5 40 DDBB Cn1cc([C@@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 72304740 GBMMJTWVIAQMQC-LBPRGKRZSA-N 305.294 1.183 5 40 DDBB CCOC(=O)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 5592138 QVYVJBXDAJXGRM-UHFFFAOYSA-N 320.345 1.939 5 40 DDBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCC(C(N)=O)CC2)c1 24542480 ACGRLCXWLMTPBB-UHFFFAOYSA-N 321.333 1.006 5 40 DDBB O=C(COc1cccnc1[N+](=O)[O-])NCc1ccc(F)cc1 5638219 YPUITAAURJETFX-UHFFFAOYSA-N 305.265 1.824 5 40 DDBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@H](C(=O)O)C1 71979275 CXBHXGJZZKXNBX-NSHDSACASA-N 307.262 1.177 5 40 DDBB CNC(=O)[C@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 33210195 CEMXYFAKLAZWGZ-MYSGNRETSA-N 317.345 1.735 5 40 DDBB COc1ccc(-c2ccc(C(=O)NCCO)o2)c([N+](=O)[O-])c1 13721645 SZVNGMFWORHQTG-UHFFFAOYSA-N 306.274 1.586 5 40 DDBB COCCN1CCC[C@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] 65622097 GCGDVAPSWLWFCZ-ZDUSSCGKSA-N 321.377 1.744 5 40 DDBB CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CN)C1CC1 225479119 YNHPJTFAAWEPAZ-GFCCVEGCSA-N 313.379 1.173 5 40 DDBB COc1ccccc1Nc1nc(NCCO)nc(N)c1[N+](=O)[O-] 5111631 FWHDLLWTESTDBL-UHFFFAOYSA-N 320.309 1.123 5 40 DDBB Cc1nonc1OCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6177691 BNBXQUXYADJGKB-UHFFFAOYSA-N 309.238 1.685 5 40 DDBB COc1ccc2c3c1O[C@@H]1[C@@H](O)CC=C[C@]31CC[N+](C)(C)C2 247636273 DOUIWWHBJPGSBE-VHSSKADRSA-N 302.394 1.995 5 40 DDBB COC[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 79091128 JGDNBOXLTBIROV-NSHDSACASA-N 307.350 1.552 5 40 DDBB CCn1nc(C)c([N+](=O)[O-])c1NCC(=O)NCc1ccco1 225454955 QIZHDCOAFOMTPO-UHFFFAOYSA-N 307.310 1.441 5 40 DDBB CC(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])c(N)n2)CC1 195560341 ONRAPYOKXDZTAC-UHFFFAOYSA-N 321.381 1.376 5 40 DDBB CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCNCC1 96031218 ZHHBGUDHZAIQAR-UHFFFAOYSA-N 308.338 1.058 5 40 DDBB in-vitro O=C(NCc1ccncc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13208437 RFHDQADAKBFOKA-UHFFFAOYSA-N 302.246 1.828 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1SCCNC1=O 6660720 WVLUOVDKIHVVGF-NSHDSACASA-N 309.347 1.463 5 40 DDBB CC[C@@](C)(NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])C(=O)OC 67992490 ORLFKRYSHUIFCQ-CYBMUJFWSA-N 316.260 1.945 5 40 DDBB C[C@@H]([C@@H](C)N(C)Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O 71904629 PTIQEWRVLCBOEO-MNOVXSKESA-N 300.380 1.848 5 40 DDBB O=C(NCCc1ccc([N+](=O)[O-])cc1)NCCn1cccc1 84433608 DCOOCMUSDRZLKO-UHFFFAOYSA-N 302.334 1.938 5 40 DDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCCO1 32400928 HPKGHVOJCYVYRA-JTQLQIEISA-N 316.335 1.061 5 40 DDBB Cc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1[N+](=O)[O-] 3520296 CCQYPLNQUWMJNK-UHFFFAOYSA-N 318.285 1.969 5 40 DDBB CC[C@H](CCO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C 79073297 BXXJMYDIHTTXAL-LLVKDONJSA-N 316.379 1.590 5 40 DDBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1C 15009282 PTYHEBIKPCJWCL-AATRIKPKSA-N 303.274 1.871 5 40 DDBB O=[N+]([O-])c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 28068503 VGIYCBFBQUIGOW-UHFFFAOYSA-N 309.278 1.846 5 40 DDBB Nc1cccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 36233351 AUAYCGYLJXOVRB-UHFFFAOYSA-N 307.331 1.656 5 40 DDBB CCCN1CCCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1 69661630 IIWVWAAXHSMYDE-UHFFFAOYSA-N 320.397 1.881 5 40 DDBB O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@](O)(C(F)(F)F)C1 73921697 OKFOUKCEQQDHON-NSHDSACASA-N 322.214 1.873 5 40 DDBB CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@H]2C)cc1OC 89988863 HOIOKZADQFZLIM-ONGXEEELSA-N 324.333 1.909 5 40 DDBB CCCN1C(=O)N/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 409250122 WCIFLYQAVJJLCV-WEVVVXLNSA-N 321.289 1.612 5 40 DDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cccnc1 32778069 IRWLBJBBTVXAMN-UHFFFAOYSA-N 307.331 1.777 5 40 DDBB O=C(O)c1ccc(Sc2nc(O)cc(=O)[nH]2)c([N+](=O)[O-])c1 16384560 KUVLSEIQICNGSC-UHFFFAOYSA-N 309.259 1.233 5 40 DDBB O=C(c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1 4875981 SWUZMQFIMRADPZ-UHFFFAOYSA-N 302.290 1.457 5 40 DDBB CS(=O)(=O)N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 58147534 VRONZJKZUFFERI-VIFPVBQESA-N 317.342 1.570 5 40 DDBB O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1O 78953337 AHCGMURYNYCVBL-OCCSQVGLSA-N 307.350 1.740 5 40 DDBB COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1[N+](=O)[O-] 78551775 FZMZPIHEUVTRFA-SNVBAGLBSA-N 311.269 1.903 5 40 DDBB O=C(Nc1cc(C(F)(F)F)ccn1)c1n[nH]cc1[N+](=O)[O-] 180560208 RMZWXUDMQOJQHO-UHFFFAOYSA-N 301.184 1.984 5 40 DDBB CN1CCC(C)(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 95468522 ZYCDGIYDZNSIDB-UHFFFAOYSA-N 305.378 1.985 5 40 DDBB O=C(c1cccc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 10449407 OTCBPYPFTVMHCP-ZDUSSCGKSA-N 324.358 1.387 5 40 DDBB Cn1nnnc1SCCCNCc1cccc([N+](=O)[O-])c1 7540474 ZTMGOQJZAVHGTJ-UHFFFAOYSA-N 308.367 1.390 5 40 DDBB Cc1cccc(C(=O)NCc2cccc(C(N)=O)c2)c1[N+](=O)[O-] 25332604 HKQTWZCQLDNBDA-UHFFFAOYSA-N 313.313 1.932 5 40 DDBB O=[N+]([O-])c1cccnc1NC[C@@H](O)COc1ccc(F)cc1 57149219 DCFPMBGGXJWSDJ-LLVKDONJSA-N 307.281 1.981 5 40 DDBB O=C(COc1ccccc1[N+](=O)[O-])NCCCN1CCCC1=O 28188180 NZNZAPXKVPSPNJ-UHFFFAOYSA-N 321.333 1.102 5 40 DDBB CCOc1cccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1O 4454550 KYTGZXDGFOQKLJ-VOTSOKGWSA-N 319.273 1.658 5 40 DDBB O=C1c2ccccc2C(=O)N1CCCn1cc([N+](=O)[O-])cn1 67796670 RBFCJTOXMNXSFJ-UHFFFAOYSA-N 300.274 1.478 5 40 DDBB Cc1nn(CCN2C(=O)c3ccccc3C2=O)c(C)c1[N+](=O)[O-] 7814671 GDISAFGKBARCBU-UHFFFAOYSA-N 314.301 1.704 5 40 DDBB O=[N+]([O-])c1ccc2nc(S)n([C@@H]3CCS(=O)(=O)C3)c2c1 40166758 BXGDDYAJXVUFBI-MRVPVSSYSA-N 313.360 1.593 5 40 DDBB O=C(NCCc1cc(F)ccc1F)c1cnc(O)c([N+](=O)[O-])c1 193665969 KSXFURCVXOAUQT-UHFFFAOYSA-N 323.255 1.946 5 40 DDBB Cn1cnc([N+](=O)[O-])c1NC[C@H](Cc1ccc(F)cc1)C(N)=O 69841056 VEIKBRKPJZJVFA-JTQLQIEISA-N 321.312 1.224 5 40 DDBB O=c1[nH]c2ccc3c(=O)n(Cc4ccco4)c(=O)c4ccc1c2c34 11691489 LVEUQDXADOEXKT-UHFFFAOYSA-N 318.288 1.873 5 40 DDBB CCc1nc2ccccc2n2cc3c(=O)n(C)c(=O)n(C)c3c12 528113 FBTAZQVUOIQKGQ-UHFFFAOYSA-N 308.341 1.601 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 3128820 UWPODDHYRGZSLA-UHFFFAOYSA-N 313.225 1.813 5 40 DDBB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 44551514 HGPFCIBVTORZCE-DGCLKSJQSA-N 303.318 1.947 5 40 DDBB O=[N+]([O-])c1ccc(S[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 4785074 MKVSQVODZNLFHI-QMMMGPOBSA-N 318.332 1.782 5 40 DDBB O=C(O)c1ccccc1Nc1cn2ncc([N+](=O)[O-])c2c(=O)[nH]1 4624198 PVGCEUGAEBHSOB-UHFFFAOYSA-N 315.245 1.373 5 40 DDBB O=[N+]([O-])c1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1 102199121 FBVUMYUYFCPDFJ-UHFFFAOYSA-N 311.344 1.641 5 40 DDBB O=C(NCCN1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 12557835 CXONHKUGRRQPJL-UHFFFAOYSA-N 318.377 1.995 5 40 DDBB Cc1nn(CC(=O)c2ccc(NC(N)=O)cc2)c(C)c1[N+](=O)[O-] 24428044 OEZLXRDHFVAHFS-UHFFFAOYSA-N 317.305 1.782 5 40 DDBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccn1 12636838 LTFVBWORNCDNCO-UHFFFAOYSA-N 322.346 1.292 5 40 DDBB C[C@@H](c1ccncc1)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 89910222 LZNSVSOSTACRLM-NSHDSACASA-N 303.322 1.796 5 40 DDBB CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=N)NC2=O)c1O 13476646 KIDVZOCPTVFGAW-RUDMXATFSA-N 309.303 1.838 5 40 DDBB Cn1c(=O)c2c(-c3ccc([N+](=O)[O-])cc3)ccnc2n(C)c1=O 14163964 HURXIYJCNRKLDB-UHFFFAOYSA-N 312.285 1.207 5 40 DDBB O=C1NC(=O)c2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 4263893 QSSWBAOCRLPDAO-UHFFFAOYSA-N 311.253 1.731 5 40 DDBB CCc1nc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)no1 107793141 BEVXAGZFEDMQQU-UHFFFAOYSA-N 306.278 1.479 5 40 DDBB CC1(C)Cc2cccc(OCCNC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2O1 44502475 HUQNOPKQHOBVBT-RYUDHWBXSA-N 320.345 1.560 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc2c(c1)OCO2 2494790 ZJWYVTVSSGLRAJ-UHFFFAOYSA-N 304.262 1.467 5 40 DDBB COC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] 24723692 GVZFMKUBQVOUIY-LBPRGKRZSA-N 308.334 1.841 5 40 DDBB COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@]31CC[N+](C)(C)C2 5178996 FESJTOGKKMDYHG-DHSIGJKJSA-N 302.394 1.995 5 40 DDBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 5017900 ONVNFFHNCFENJI-OGXIQJDLSA-N 314.297 1.915 5 40 DDBB COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c(OC)c1 9234800 BELNZCVIGGNYAR-GQCTYLIASA-N 319.273 1.571 5 40 DDBB Cc1cc(CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)no1 25138983 CUKRSEWCLUFAIQ-UHFFFAOYSA-N 305.290 1.929 5 40 DDBB CNC(=O)[C@@H]1CCCN1CCCOc1ccc([N+](=O)[O-])cc1 69510018 YAFTURCQSDFKQQ-AWEZNQCLSA-N 307.350 1.574 5 40 DDBB Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccc(O)cc2)CC1 7124571 RWANCRYKXKRURQ-UHFFFAOYSA-N 303.322 1.361 5 40 DDBB CN1C[C@]2([N+](=O)[O-])CC=C(Oc3ccccc3)[C@]([N+](=O)[O-])(C1)C2 36026105 BEASEFJNKGANKI-LSDHHAIUSA-N 319.317 1.720 5 40 DDBB CCN1CCOC(=O)[C@@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 14165395 BDSVBYXKXGMCQD-LBPRGKRZSA-N 307.306 1.171 5 40 DDBB C[S@@](=O)CCNc1ncc(Br)cc1[N+](=O)[O-] 95416536 DHHGXFWMEPMMQN-INIZCTEOSA-N 308.157 1.543 5 40 DDBB CCN1C[C@H](C(=O)N2CCCc3c2cccc3[N+](=O)[O-])CC1=O 95436680 UCRXRGZHXTVPBU-LLVKDONJSA-N 317.345 1.742 5 40 DDBB COc1cccc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1OC 30840453 RCOFVFNWIANBAA-SREVYHEPSA-N 319.273 1.159 5 40 DDBB COC(=O)[C@@](C)(Cl)CS(=O)(=O)c1ccccc1[N+](=O)[O-] 35323628 FTOBSTQBIQDHFX-NSHDSACASA-N 321.738 1.539 5 40 DDBB O=[N+]([O-])c1cc(I)n(CC(F)F)n1 953061390 NCSLKTPGCAJPNN-UHFFFAOYSA-N 303.006 1.661 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2ccnc2)cc1 5594855 NNUAGAZLTMCWDO-UHFFFAOYSA-N 310.335 1.160 5 40 DDBB CCOC(=O)COc1ccc2c(C)cc(=O)oc2c1[N+](=O)[O-] 1591191 BIMIJUOVTOGCJQ-UHFFFAOYSA-N 307.258 1.952 5 40 DDBB CCn1cc(CN(C)C(=O)c2c([N+](=O)[O-])cnn2CC)c(C)n1 2778210 QOTURPWMUKSQNG-UHFFFAOYSA-N 320.353 1.608 5 40 DDBB O=c1oc2ccccc2c(N2CCN3CCC[C@@H]3C2)c1[N+](=O)[O-] 4902846 YJHHLAQOEDTDTM-LLVKDONJSA-N 315.329 1.986 5 40 DDBB Cn1nnc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 9142060 RBINZKTWDAQODK-UHFFFAOYSA-N 314.261 1.631 5 40 DDBB CCNC(=O)c1cccc(NC(=O)Cn2nccc2[N+](=O)[O-])c1 58158408 PUNWCHBFJDGCAL-UHFFFAOYSA-N 317.305 1.180 5 40 DDBB CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCCC1 58330809 MLHKBIYZAXCGDB-NSHDSACASA-N 306.366 1.851 5 40 DDBB CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@]1(C)CCS(=O)(=O)C1 4505135 KNHNLAVXKADGHI-ZDUSSCGKSA-N 312.347 1.244 5 40 DDBB CCS(=O)(=O)c1cnc(N)nc1-c1cccc([N+](=O)[O-])c1 96533087 NGZCOHSJNZOFNK-UHFFFAOYSA-N 308.319 1.428 5 40 DDBB Cc1c(C(=O)N[C@@H](C)CN2CCCC2=O)cccc1[N+](=O)[O-] 55812313 BZAXMVYMAFRERJ-JTQLQIEISA-N 305.334 1.644 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccn1 8845891 GWMCNHXJAGBLNK-UHFFFAOYSA-N 307.331 1.777 5 40 DDBB C[C@H]1CN(C(=O)CN2CCc3cc([N+](=O)[O-])ccc32)CCO1 25612041 KKKJZEOLUSOJOA-NSHDSACASA-N 305.334 1.205 5 40 DDBB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)C1 3312271 GXZIRHIOSJBQPT-NXEZZACHSA-N 310.306 1.849 5 40 DDBB NS(=O)(=O)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 71899641 HJQPSNMGNIICNT-VIFPVBQESA-N 317.342 1.239 5 40 DDBB O=c1cc2c(nn1Cc1c(F)cccc1[N+](=O)[O-])CCOC2 72290533 FJPOYOVLVGQHPD-UHFFFAOYSA-N 305.265 1.412 5 40 DDBB CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 195572792 IUAYADCWYWPFSO-SNVBAGLBSA-N 318.782 1.867 5 40 DDBB NC(=O)[C@H]1C(=O)c2ccccc2[C@@]1(C[N+](=O)[O-])c1ccccc1 1690851 WLXQWHPNVGRJGU-RHSMWYFYSA-N 310.309 1.547 5 40 DDBB O=C(NCCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 48286102 RCMNLCBGLYPWFL-UHFFFAOYSA-N 307.350 1.437 5 40 DDBB O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1Cc1ccccc1 4141961 AYFDJVUCZAHQPT-UHFFFAOYSA-N 318.310 1.940 5 40 DDBB Cc1c(CSCc2nc(N)nc(N)n2)cccc1[N+](=O)[O-] 89540494 YXFDUVJTYSPRBL-UHFFFAOYSA-N 306.351 1.686 5 40 DDBB Cn1c(S[C@H]2CCOC2=O)nnc1-c1cccc([N+](=O)[O-])c1 1426997 LLEUYJBAUOMGLO-JTQLQIEISA-N 320.330 1.798 5 40 DDBB O=C(COc1cccnc1[N+](=O)[O-])c1ccc2c(c1)OCO2 5971051 IDEBPBBPLRFKGF-UHFFFAOYSA-N 302.242 1.980 5 40 DDBB Cc1cc2c(cnc3ncnn32)c(=O)n1-c1ccc([N+](=O)[O-])cc1 38783893 KLJYXEIJRYPSOH-UHFFFAOYSA-N 322.284 1.645 5 40 DDBB CCNC(=O)CCS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C 44954082 ZDNAATVTTWSLKL-UHFFFAOYSA-N 314.363 1.344 5 40 DDBB CC[N+](CC)(CC)CCOC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 104184234 BZRJPXIAPWLIOZ-SEBNEYGDSA-N 310.414 1.604 5 40 DDBB CC(C)(C)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6820215 OKTREUBMVDUPTM-UHFFFAOYSA-N 307.350 1.960 5 40 DDBB O=C(Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)NCCO 71893751 LKDOHAYNFPOLAD-UHFFFAOYSA-N 317.301 1.433 5 40 DDBB O=[N+]([O-])c1ccc(CCN2CCN(C[C@H]3CCCO3)CC2)cc1 71907936 FNRHAMBRUGLUQW-QGZVFWFLSA-N 319.405 1.934 5 40 DDBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@@H]1CCO 37895910 GMQLQDMCXZMSBP-LLVKDONJSA-N 314.363 1.520 5 40 DDBB Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)c([N+](=O)[O-])c1 10327495 TUYUALGDRLCSAV-SNVBAGLBSA-N 307.306 1.137 5 40 DDBB COc1ccc(OCC(=O)NCC(F)(F)F)c([N+](=O)[O-])c1 3447455 RTMYCUJMLBYEMK-UHFFFAOYSA-N 308.212 1.661 5 40 DDBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)NCC(F)(F)F 47605015 HJALCVUTSQXHLW-SECBINFHSA-N 307.228 1.490 5 40 DDBB O=[N+]([O-])c1ccccc1NC[C@@H]([C@H]1CCOC1)N1CCOCC1 24203853 ZDJZTZRRMMYCEW-BBRMVZONSA-N 321.377 1.744 5 40 DDBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] 17031481 FDEURRLOYOWDHP-UHFFFAOYSA-N 307.222 1.487 5 40 DDBB CCN1CCC[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 78680184 PKQWAJNGKLRFAY-NSHDSACASA-N 317.349 1.499 5 40 DDBB NC(=O)[C@@H]1COCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 95997013 IJRPOUWWQZGJIP-JTQLQIEISA-N 319.239 1.304 5 40 DDBB NC(=O)c1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)on1 79100289 CJCKVGVMVNFKTN-UHFFFAOYSA-N 305.250 1.003 5 40 DDBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 36261327 RCIPQFMRNBPBRC-QZHINBJYSA-N 316.269 1.046 5 40 DDBB CC[C@H](C)n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O 40398650 LZYDBCQWJFDBHT-NSHDSACASA-N 312.373 1.880 5 40 DDBB Nn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O 40398625 NSYSWLOWKSFUJS-UHFFFAOYSA-N 318.336 1.474 5 40 DDBB CCOc1cc(/C=C2/NC(=S)NC2=O)cc([N+](=O)[O-])c1O 5711742 RMNLZOIWAYIFCE-XVNBXDOJSA-N 309.303 1.044 5 40 DDBB C=Cn1nnc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)n1 10119570 YCOOLUREOKVKAV-UHFFFAOYSA-N 304.266 1.333 5 40 DDBB CC(C)(O)COc1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1 72289233 DQKWERBJKLFPNS-UHFFFAOYSA-N 319.321 1.860 5 40 DDBB Nc1nc(N2CCCC2)nc(NCc2ccco2)c1[N+](=O)[O-] 5068939 GOIIXKXGAACJDW-UHFFFAOYSA-N 304.310 1.772 5 40 DDBB CNc1ccc(C(=O)OCC(=O)NCC(C)C)cc1[N+](=O)[O-] 5363468 RLFUBBFZLNSFGI-UHFFFAOYSA-N 309.322 1.566 5 40 DDBB CCCOC(=O)c1ccc(Sc2nncn2N)c([N+](=O)[O-])c1 70462344 OKKHZIJGHVQBCJ-UHFFFAOYSA-N 323.334 1.618 5 40 DDBB O=[N+]([O-])c1c(N2CCC[C@@H](c3nc[nH]n3)C2)nc2sccn12 96452903 KQMSURGPIHGFPS-MRVPVSSYSA-N 319.350 1.806 5 40 DDBB CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1O 97097321 VYQBZXFRUPYCSK-YPMHNXCESA-N 319.361 1.999 5 40 DDBB O=C(O)CSc1nc2ccc([N+](=O)[O-])cc2n1CC(=O)O 16431408 POGHHHAXUSVIJZ-UHFFFAOYSA-N 311.275 1.206 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])c(C(=O)OC)cc1Br 499362 GYILTWOZZTXCMD-UHFFFAOYSA-N 318.079 1.931 5 40 DDBB Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 3186670 NFVJJDIJKYOTTE-UHFFFAOYSA-N 309.303 1.683 5 40 DDBB C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 23509313 MZHDCDLFIPHOSD-BETUJISGSA-N 321.377 1.824 5 40 DDBB CC[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 28036196 ALOKWJQFUHLDEL-JTQLQIEISA-N 300.336 1.394 5 40 DDBB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCOCC1 95461305 MEIDRVGOPMAMOE-UHFFFAOYSA-N 307.306 1.009 5 40 DDBB Cc1cnc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)o1 89702351 ZLXRIPJQFJEQBK-UHFFFAOYSA-N 311.319 1.511 5 40 DDBB Cc1cc(C(=O)N(C)C[C@@H](C)c2nnn[nH]2)cc([N+](=O)[O-])c1 124015163 QMYYGVAYJMDORB-SECBINFHSA-N 304.310 1.292 5 40 DDBB CN(C)c1ccc2nc3c(C(=O)O)cc(=O)c(O)c-3oc2c1 18996060 YBGOLOJQJWLUQP-UHFFFAOYSA-N 300.270 1.763 5 40 DDBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCOCC1 4798022 GCUVVWNGVRLXHR-UHFFFAOYSA-N 309.322 1.142 5 40 DDBB O=[N+]([O-])c1cccnc1N[C@H]1CCCN(c2ncccn2)C1 44976645 VDRDEPKAZYRRCQ-NSHDSACASA-N 300.322 1.861 5 40 DDBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)OC 4858169 JQXLJDKWVZODRK-LLVKDONJSA-N 321.289 1.123 5 40 DDBB NC(=O)[C@H]1C[C@H](O)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33010941 IDTPKXCYXFDUOD-OIBJUYFYSA-N 319.239 1.039 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)NC(=S)c1ccco1 81642 NLWMJHAGVAWBLK-UHFFFAOYSA-N 324.318 1.795 5 40 DDBB COC(=O)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C 6083024 BKELFVAVGVYMDM-LLVKDONJSA-N 316.335 1.071 5 40 DDBB Nc1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] 47672969 MHZDTUSQCCZCSO-UHFFFAOYSA-N 321.333 1.593 5 40 DDBB O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCS(=O)(=O)C1 67980086 IAUHKZFOAYMWLF-SSDOTTSWSA-N 302.283 1.107 5 40 DDBB C[S@](=O)c1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1 95409065 NPBDANAIJYXLKO-OAQYLSRUSA-N 307.335 1.317 5 40 DDBB NC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 95432125 CLFAHQMXTKDDNV-VIFPVBQESA-N 319.770 1.264 5 40 DDBB O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3ccccc3CC2)c1 96441436 YMVONIJQIMZPFE-INIZCTEOSA-N 316.361 1.253 5 40 DDBB O=[N+]([O-])c1c(N2CCC[C@H](C3OCCO3)C2)nc2ccccn12 60362948 YREKFCHVXOJWEF-NSHDSACASA-N 318.333 1.832 5 40 DDBB Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(NCCO)c1[N+](=O)[O-] 100034259 CCPOGFPIWCJGHJ-UHFFFAOYSA-N 300.227 1.432 5 40 DDBB CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCS(=O)(=O)C1 4505139 MASCMZFXHRXBCQ-ZDUSSCGKSA-N 312.347 1.244 5 40 DDBB CCc1nc2oc3ccccc3c(=O)c2c(=O)n1CCOC 2206599 JXASXKLTLWFIND-UHFFFAOYSA-N 300.314 1.712 5 40 DDBB CC(C)(C)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 3460962 JDXQMUANJNNUIO-UHFFFAOYSA-N 305.290 1.106 5 40 DDBB Nc1nc(NCC(=O)O)nc(NCc2ccccc2)c1[N+](=O)[O-] 5249761 LZVMOACGJGYENA-UHFFFAOYSA-N 318.293 1.076 5 40 DDBB Cn1cccc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 4564454 BUFQUOIWBUXQNL-UHFFFAOYSA-N 321.264 1.868 5 40 DDBB Cc1c(CC(=O)N(C)Cc2nccn2C)cccc1[N+](=O)[O-] 119905839 HTKSLTRIZIERJJ-UHFFFAOYSA-N 302.334 1.838 5 40 DDBB Cc1[nH]nc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1[N+](=O)[O-] 78996927 OPSOYTLJWVFTQK-WDEREUQCSA-N 302.290 1.014 5 40 DDBB CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCO1 66608376 ZZMVHPGUHZMFCN-NSHDSACASA-N 322.317 1.617 5 40 DDBB CC(C)[C@@H](C(=O)Nc1ccncc1[N+](=O)[O-])N1CCCC1=O 67168701 BLSKNMZYDYDODL-ZDUSSCGKSA-N 306.322 1.575 5 40 DDBB O=C(NN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 18245104 WOIBTRRUYMVJBO-RYUDHWBXSA-N 317.301 1.415 5 40 DDBB O=C(O)/C=C\C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 215867939 FBVCIHLVFQJPCP-WAYWQWQTSA-N 304.218 1.224 5 40 DDBB Nc1nc(-c2ccccc2)nc2c1[n+]([O-])c1ccccc1[n+]2[O-] 1556830 YWSUTRFYAQHJFZ-UHFFFAOYSA-N 305.297 1.299 5 40 DDBB Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1cccc([N+](=O)[O-])c1 2796342 YVCGXXBUQXUOKA-UHFFFAOYSA-N 319.277 1.438 5 40 DDBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1-n1cnnn1 33081920 SEEAKICABIONKE-UHFFFAOYSA-N 314.261 1.724 5 40 DDBB COc1ccc2c3c1O[C@H]1[C@H](O)CC=C[C@]31CC[N+](C)(C)C2 9122231 DOUIWWHBJPGSBE-BVGQSLNGSA-N 302.394 1.995 5 40 DDBB Cc1nn(C)c(N2CCN(c3ccccc3O)CC2)c1[N+](=O)[O-] 47330970 PPCGVNTUEXMFON-UHFFFAOYSA-N 317.349 1.669 5 40 DDBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(=O)[nH]c1 47547332 JJEIEDSOAKQXCQ-UHFFFAOYSA-N 301.302 1.945 5 40 DDBB COc1ccc([C@H]2SCCN2S(C)(=O)=O)cc1[N+](=O)[O-] 5023956 ZIIMBCURSPYCJO-LLVKDONJSA-N 318.376 1.610 5 40 DDBB C[C@@H](Cn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1)C(=O)O 408715282 AMXXQMGERZSYGD-LURJTMIESA-N 311.216 1.843 5 40 DDBB Nc1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 5657288 RWMHIDOTDDWXKP-UHFFFAOYSA-N 321.333 1.783 5 40 DDBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@H]2CO)c1 13149762 RZQYBCXNCIZORR-UONOGXRCSA-N 310.350 1.181 5 40 DDBB Nc1nc(NCCO)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 5025520 JBVQVZMSOOGQCJ-UHFFFAOYSA-N 324.728 1.768 5 40 DDBB O=C(NC(=S)NNc1ccccc1[N+](=O)[O-])c1ccco1 4934293 QLQWULUIBZBVHI-UHFFFAOYSA-N 306.303 1.819 5 40 DDBB CC(C)c1noc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 71890861 ZEMILXGNIPINLI-UHFFFAOYSA-N 320.305 1.779 5 40 DDBB CNC(=O)c1ccc(N[C@@H]2CC(=O)N(C(C)C)C2)c([N+](=O)[O-])c1 60378017 USZGLEDWXGXNQM-LLVKDONJSA-N 320.349 1.376 5 40 DDBB COc1ccc([N+](=O)[O-])c(C(=O)NCc2n[nH]c(=S)n2C)c1 66625747 BVFNCCBDLLREPO-UHFFFAOYSA-N 323.334 1.324 5 40 DDBB COCCc1nnc2sc(-c3ccc([N+](=O)[O-])cc3)nn12 8392551 CQDUZZRWRLCAFR-UHFFFAOYSA-N 305.319 1.950 5 40 DDBB C[C@H](NC[C@](C)(O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 95968508 IBHQSIZREZGRMY-BBRMVZONSA-N 323.393 1.329 5 40 DDBB Cc1nnc(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)n1C 89736078 ODFPYEKMNOHVJZ-UHFFFAOYSA-N 316.321 1.805 5 40 DDBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(N)=O)C1 32664825 QILMBZWXKRSDRJ-WDEREUQCSA-N 320.349 1.119 5 40 DDBB COCCNc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-] 4922836 BICHUQOKNFUCOY-UHFFFAOYSA-N 313.701 1.126 5 40 DDBB Cc1nn(CC(=O)NCCN2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] 46863301 VRTHFPKGCSAVBP-NSHDSACASA-N 323.397 1.256 5 40 DDBB CCNC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])o2)CCCCC1 58201982 HSOBZKPVGZTFNC-UHFFFAOYSA-N 309.322 1.757 5 40 DDBB O=[N+]([O-])c1nc(N2CCOCC2)n(CCc2ccccc2)n1 9142751 FLWQXIGXLVIGOE-UHFFFAOYSA-N 303.322 1.266 5 40 DDBB CCO[C@@H](C)c1noc(CNc2c([N+](=O)[O-])c(C)nn2C)n1 96429777 GJJKLNZSXHRYLZ-QMMMGPOBSA-N 310.314 1.729 5 40 DDBB Cc1ccc(Nc2nc(NCC(=O)O)nc(N)c2[N+](=O)[O-])cc1 5190650 LDGGDRDKAHIWOD-UHFFFAOYSA-N 318.293 1.516 5 40 DDBB CCn1cc([N+](=O)[O-])c(-c2nn3c(C(F)F)nnc3s2)n1 20606016 AZXJAJHPNBRXOY-UHFFFAOYSA-N 315.265 1.915 5 40 DDBB Cc1nsc(N2CCCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 78557888 VFYHOCJTCJAJKH-UHFFFAOYSA-N 320.378 1.866 5 40 DDBB O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCn2ccnc2C1 166149923 VKGLYUUBZXXAGM-SECBINFHSA-N 302.290 1.698 5 40 DDBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)OCCO2 28023666 HOEVVQBCEBTVJZ-UHFFFAOYSA-N 322.317 1.339 5 40 DDBB C[C@H]1CN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 26781531 SUTKLJLHGLPXCR-MBNYWOFBSA-N 310.350 1.444 5 40 DDBB CC(C)C[C@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 71045281 VXWKOUDOBRESPZ-LBPRGKRZSA-N 310.354 1.455 5 40 DDBB CC(C)(O)C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 71853916 MVNXQINQKJVKGQ-UHFFFAOYSA-N 316.697 1.501 5 40 DDBB Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)cc1[N+](=O)[O-] 89091929 HCBCNWPHRFGPJB-ZYHUDNBSSA-N 313.379 1.309 5 40 DDBB CCn1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)cn1 89305834 NCEAAHMGQPZMJO-UHFFFAOYSA-N 300.278 1.940 5 40 DDBB O=[N+]([O-])c1c(N2CCC[C@@H](C3OCCO3)C2)nc2ccccn12 60362949 YREKFCHVXOJWEF-LLVKDONJSA-N 318.333 1.832 5 40 DDBB Nc1nc(NCC(=O)O)nc(Nc2ccccc2)c1[N+](=O)[O-] 6276916 KCSWLLKKUYMOTH-UHFFFAOYSA-N 304.266 1.207 5 40 DDBB Cc1ncncc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 65407685 RYGRMVHSCQSQSC-UHFFFAOYSA-N 301.306 1.535 5 40 DDBB NC(=O)NC[C@@H]1CCCCN1c1ncc(Cl)cc1[N+](=O)[O-] 90138564 JQKSIBKZFHJFLF-VIFPVBQESA-N 313.745 1.670 5 40 DDBB CCOC(=O)[C@H](C(=O)OC(C)(C)C)c1ccncc1[N+](=O)[O-] 95829590 DYROSYKMPSCHIP-LLVKDONJSA-N 310.306 1.978 5 40 DDBB O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)Cc1ccccc1 70957278 NBGIPRMYVZNMKL-MRXNPFEDSA-N 314.341 1.857 5 40 DDBB CC(C)C[C@H](CN)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 95432092 IKFTWZNUCZGZEB-SNVBAGLBSA-N 319.358 1.386 5 40 DDBB CC(C)n1cnnc1SCCn1cc([N+](=O)[O-])ccc1=O 96485706 YKVQXTJRKRRRET-UHFFFAOYSA-N 309.351 1.721 5 40 DDBB O=C(CCn1cnc([N+](=O)[O-])c1)Oc1ccc2c(c1)OCO2 24264888 LSKDCSGYJFOUIG-UHFFFAOYSA-N 305.246 1.516 5 40 DDBB O=[N+]([O-])c1cccnc1NC[C@H]([C@H]1CCOC1)N1CCCC1 44976799 BTDACPAGFNMFRP-GXTWGEPZSA-N 306.366 1.903 5 40 DDBB CC(=O)c1ccc(N2CC[C@H](OCCN(C)C)C2)c([N+](=O)[O-])c1 83843719 GFQWXKSFEHXOTA-AWEZNQCLSA-N 321.377 1.954 5 40 DDBB O=C(/C=C/c1ccccc1[N+](=O)[O-])O[C@H]1CCS(=O)(=O)C1 78290102 ZZOOLJLNPKYGFJ-QRGHLMKCSA-N 311.315 1.338 5 40 DDBB COC(=O)[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 95944581 YZIPQGLRBVWBFS-NSHDSACASA-N 322.239 1.950 5 40 DDBB CO[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 195557597 JBNPBVJLPQJFFS-KGLIPLIRSA-N 307.350 1.102 5 40 DDBB COC1(C)CN(c2ncc([N+](=O)[O-])cc2Br)C1 95452438 UBRKLVPKDXCYJT-UHFFFAOYSA-N 302.128 1.977 5 40 DDBB CNC(=O)[C@@H]1CCC[C@@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] 420611401 NHVOPAVHKTXLDT-SCZZXKLOSA-N 306.322 1.020 5 40 DDBB O=c1n(Cc2ccc([N+](=O)[O-])cc2)nc2ccc(Cl)nn12 20031886 ZXNLWICWXWEIJH-UHFFFAOYSA-N 305.681 1.501 5 40 DDBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCO1 3502637 AREQEOUYVNWRQV-JTQLQIEISA-N 308.290 1.047 5 40 DDBB COC(=O)c1cc(C(=O)OC)n(Cc2ccc([N+](=O)[O-])cc2)n1 95452297 PULIPDOZHMSZEA-UHFFFAOYSA-N 319.273 1.413 5 40 DDBB C[N+](C)(C)C[C@@H](OP(=O)(O)O)c1ccc([N+](=O)[O-])cc1 113257923 VALAFOXMZIGEOF-LLVKDONJSA-O 305.247 1.451 5 40 DDBB COc1cc(NCCN2CCOCC2)c([N+](=O)[O-])cc1OC 31298189 PQZPBTFHHZUHET-UHFFFAOYSA-N 311.338 1.356 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])cn1)NCCOc1cccc(Cl)c1 47023325 DHJIFOZBJJXNGU-UHFFFAOYSA-N 324.724 1.640 5 40 DDBB CC(=O)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 80008 PLWOASAEQXPWOP-UHFFFAOYSA-N 306.347 1.873 5 40 DDBB COC(=O)c1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 195163 NXABTSZNHJFTMJ-UHFFFAOYSA-N 304.262 1.367 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CCCO1 24432915 NOUVPXLCGOQCMM-LBPRGKRZSA-N 314.363 1.751 5 40 DDBB O=C(NCCc1nnc2ccccn12)c1ccccc1[N+](=O)[O-] 12810617 RKMBFHRZQBXJJM-UHFFFAOYSA-N 311.301 1.610 5 40 DDBB O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3ccc(F)cc32)c1 72583948 OKXWRNJZANNPOD-CYBMUJFWSA-N 306.297 1.354 5 40 DDBB C[N+](C)(C)[BH-](I)I 195786115 XAUKYJOYAOSSRI-UHFFFAOYSA-N 324.740 1.280 5 40 DDBB NS(=O)(=O)c1cccc(NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1[N+](=O)[O-] 252585419 IKXVMQZCSAEJBO-LDDIKCJXSA-N 323.374 1.699 5 40 DDBB CN(CCN1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 69415808 UYGSZDLZLLNCHR-UHFFFAOYSA-N 313.379 1.311 5 40 DDBB O=C(Nc1cnc(-c2cccc(O)c2)nc1)[C@@H]1C[C@@H]1[N+](=O)[O-] 69975711 HKJZTJSCHWUIPC-NEPJUHHUSA-N 300.274 1.453 5 40 DDBB COc1ccc(NC(=O)CSc2nc(C)n[nH]2)c([N+](=O)[O-])c1 11657760 BAUMSNWKFOFBIL-UHFFFAOYSA-N 323.334 1.761 5 40 DDBB COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc(C)c([N+](=O)[O-])c1 82045 KFMZVNMQKWRVHI-NSHDSACASA-N 304.302 1.954 5 40 DDBB Cc1nn(CCC(=O)NCCN2CCC[C@@H]2C)c(C)c1[N+](=O)[O-] 97009299 HJPUGRIRHDNZHD-NSHDSACASA-N 323.397 1.399 5 40 DDBB O=c1c2ccsc2ccn1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 97052826 YQMDHYDNYMTVBY-JTQLQIEISA-N 320.330 1.229 5 40 DDBB O=[N+]([O-])c1cccnc1NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 25067414 OAXSLFXQPPWCGU-OCCSQVGLSA-N 322.365 1.139 5 40 DDBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1O)c1cccnc1 4888329 BOEBZTUNNWPQJV-UHFFFAOYSA-N 318.314 1.822 5 40 DDBB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])o1 46930946 IMCKKJHBZRXVAX-SNVBAGLBSA-N 311.319 1.544 5 40 DDBB CCOC(=O)[C@@H](C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])nc1 98175418 JLTXHSIVXIBPIX-NSHDSACASA-N 310.306 1.978 5 40 DDBB COCCCCOC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 52765466 CSQNKWQSPLOQRU-UHFFFAOYSA-N 320.305 1.759 5 40 DDBB O=[N+]([O-])c1nn(CCOC[C@@H]2CCCO2)cc1Br 89762036 IQTDIYYYNIHIBN-QMMMGPOBSA-N 320.143 1.749 5 40 DDBB COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n2c(N)nnc2n1 16942703 PVAQEGFBOPFXOL-UHFFFAOYSA-N 314.261 1.068 5 40 DDBB C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H](C)N1 93433764 QWNMMIFBKOMIMU-OCAPTIKFSA-N 315.171 1.939 5 40 DDBB O=[N+]([O-])c1ccc(CN2CCOCCOCCOCC2)cc1 56934375 ADVUCUCSVSOBQR-UHFFFAOYSA-N 310.350 1.460 5 40 DDBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCCO1 27895770 VHLZRLCLRLKOJO-PELKAZGASA-N 309.278 1.800 5 40 DDBB COc1ccc(OC)c(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c1 13482071 UTNWYYIFHLOKJK-ZZXKWVIFSA-N 319.273 1.571 5 40 DDBB NC(=O)c1cccc(Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 64307309 UDAUGNWHOIXXIB-UHFFFAOYSA-N 313.269 1.650 5 40 DDBB C[C@@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(N)=O 5711092 JMDWLTUNZHNCTM-SNVBAGLBSA-N 321.333 1.616 5 40 DDBB CC(C)C[C@@H](CN)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 95432091 IKFTWZNUCZGZEB-JTQLQIEISA-N 319.358 1.386 5 40 DDBB Nc1nc(NC[C@H]2CCCO2)nc(N2CCCCC2)c1[N+](=O)[O-] 5033197 JNQPUBTUSYLJRT-SNVBAGLBSA-N 322.369 1.548 5 40 DDBB CN(C)CCCNC(=O)Cn1ccc2c([N+](=O)[O-])cccc21 96118612 XSIPDGJUBOXBLC-UHFFFAOYSA-N 304.350 1.617 5 40 DDBB COC(=O)c1cc(N2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] 95466032 QPTKIYNOGJLBGG-IAQYHMDHSA-N 319.361 1.912 5 40 DDBB O=C(O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O 210388358 BZWKKOZIFDHPDW-RUDMXATFSA-N 324.270 1.421 5 40 DDBB CCOC(=O)C[C@H](C[N+](=O)[O-])[C@H](C)NC(=O)OC(C)(C)C 38538660 RBYSIEDDVZUONA-VHSXEESVSA-N 304.343 1.746 5 40 DDBB CN(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 575419902 AJRSBCBNIVZKOR-ZDUSSCGKSA-N 313.379 1.061 5 40 DDBB C=CC(=O)N[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 486315 INRINYQOYWOUJH-INIZCTEOSA-O 305.354 1.357 5 40 DDBB biogenic Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)no1 3351305 RMSMEDDBRVGUPT-UHFFFAOYSA-N 311.275 1.748 5 40 DDBB Cn1cnnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1F 3396764 VTLYVLFMGYNBKD-UHFFFAOYSA-N 311.298 1.593 5 40 DDBB CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 69776235 BCWIINBKKQSIMD-SNVBAGLBSA-N 323.324 1.722 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CCCN1C(=O)c2ccccc2C1=O 64332183 DBGYRVUTBCKQEO-UHFFFAOYSA-N 314.301 1.786 5 40 DDBB Nc1nc(NC[C@H]2CCN(c3ccccc3)C2)ncc1[N+](=O)[O-] 75572663 SAMZZXURNNCOLP-LLVKDONJSA-N 314.349 1.905 5 40 DDBB CC1=NN(C(=O)C(F)(F)F)[C@@](O)(c2cccc([N+](=O)[O-])c2)C1 301913 RWOOLULWEDILJC-NSHDSACASA-N 317.223 1.910 5 40 DDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@](C)(CO)C1CC1 84041517 ZJTBLHBLRYGUOM-CYBMUJFWSA-N 314.363 1.343 5 40 DDBB COCCN1CC[C@@H](NC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 89365321 PECXWRJBLLSZGI-GFCCVEGCSA-N 322.365 1.461 5 40 DDBB Cc1cnccc1CCNC(=O)c1ccc([N+](=O)[O-])cc1O 97097828 CBWHLTGYPSNNSW-UHFFFAOYSA-N 301.302 1.976 5 40 DDBB O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc([N+](=O)[O-])cc1 341543 DWUZMLGKHFXSTH-UHFFFAOYSA-N 311.253 1.731 5 40 DDBB C[C@H]1Cc2c(NC(=O)c3ccc([N+](=O)[O-])o3)nn(C)c2NC1=O 35597748 MNGNHUFHZYPUMC-LURJTMIESA-N 319.277 1.304 5 40 DDBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 20457249 JEDQQEKRVGODPB-UHFFFAOYSA-N 307.306 1.966 5 40 DDBB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)cc1[N+](=O)[O-] 9012041 AAVPRMBZFJPHHR-JTQLQIEISA-N 316.277 1.017 5 40 DDBB Cc1[nH]nc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1[N+](=O)[O-] 71907659 MBCSBDSANVRVAE-UHFFFAOYSA-N 313.277 1.664 5 40 DDBB O=[N+]([O-])c1c(NCc2nnc3n2CCC3)nc2sccn12 25005911 QYRORPYKDBPRDW-UHFFFAOYSA-N 305.323 1.454 5 40 DDBB CCC[C@H](N)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 95972669 LZVQDMUDVRBFBK-QMMMGPOBSA-N 321.786 1.654 5 40 DDBB CC/C=C(\C)C(=O)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 98009503 JBYUJPLPEGMDFJ-ONNFQVAWSA-N 312.347 1.897 5 40 DDBB COC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C 335123 QCWMUVKEOHCAFX-LLVKDONJSA-N 316.335 1.071 5 40 DDBB COC(=O)c1cccc2oc3cc(CO)cc(O)c3c(=O)c12 14455391 UBYOEDLUKKPPPN-UHFFFAOYSA-N 300.266 1.931 5 40 DDBB biogenic,in-vitro C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC1 4219420 IONWETXPBSRZRJ-VIFPVBQESA-N 324.358 1.897 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccccc2C)c1 41744006 ZRELWOUZIHXSTL-UHFFFAOYSA-N 302.286 1.900 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN[C@H](C)C1 4182273 ZOTZMGRKMPFYBV-MRVPVSSYSA-N 324.293 1.088 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(Nc2cccc(F)c2)n1 4306354 ZRWAWGNFSRTZMP-UHFFFAOYSA-N 322.300 1.908 5 40 DDBB NC(=O)[C@@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 69897068 ZLXRQHQRQYOIPO-ZDUSSCGKSA-N 320.349 1.263 5 40 DDBB CC[C@@]1(C)NC(=O)N(CCCNc2ncccc2[N+](=O)[O-])C1=O 95395774 IRNVWPSYOCZDCQ-CQSZACIVSA-N 321.337 1.512 5 40 DDBB CNC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 40597148 DWOQJSDXYGPHQJ-NSHDSACASA-N 313.379 1.215 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])cn(CCCCC2CCOCC2)c1=O 225570979 VRYNPJNZGOQXOG-UHFFFAOYSA-N 323.349 1.452 5 40 DDBB Cc1ccc(S(=O)(=O)CCCn2cnc([N+](=O)[O-])n2)cc1 91582667 WBWNSMSFXKDCJD-UHFFFAOYSA-N 310.335 1.359 5 40 DDBB Cc1nn(CC(=O)NCCN2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] 46863303 VRTHFPKGCSAVBP-LLVKDONJSA-N 323.397 1.256 5 40 DDBB O=[N+]([O-])c1cccnc1NC[C@H](O)COc1ccc(F)cc1 57149217 DCFPMBGGXJWSDJ-NSHDSACASA-N 307.281 1.981 5 40 DDBB C[C@H]1CCCN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])C1 5192748 OFURCKIWGVBPMF-JTQLQIEISA-N 322.369 1.040 5 40 DDBB O=C(c1cccc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 10449406 OTCBPYPFTVMHCP-CYBMUJFWSA-N 324.358 1.387 5 40 DDBB COc1ccc(Cl)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1 271866 FWQZCPYUYCSWLO-UHFFFAOYSA-N 311.685 1.487 5 40 DDBB C[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 28057889 VLWVZMPLWRGEKK-VHSXEESVSA-N 300.336 1.393 5 40 DDBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC(=O)NC1 72062967 BJGDYHAWSOUAPP-VHSXEESVSA-N 323.374 1.470 5 40 DDBB CCOC(=O)c1ccc(NC(=O)CCC(=O)O)cc1[N+](=O)[O-] 8732324 VIBFZTRNCFMRDF-UHFFFAOYSA-N 310.262 1.575 5 40 DDBB Nc1ccccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1 6045413 KWILGSXQZPTCGM-UHFFFAOYSA-N 315.285 1.973 5 40 DDBB NC(=O)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 3407253 XNNSZIXKAKEOEK-AATRIKPKSA-N 303.318 1.332 5 40 DDBB Cc1nn(CCO)c(C)c1CNCc1cccc([N+](=O)[O-])c1 66991039 NIZKOLFMYQKEIB-UHFFFAOYSA-N 304.350 1.690 5 40 DDBB O=[N+]([O-])c1ccn(C[C@@H](O)CN2CCc3ccccc3C2)n1 195545782 FAABKKJDOVHSCJ-AWEZNQCLSA-N 302.334 1.211 5 40 DDBB Cc1c(CC(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cccc1[N+](=O)[O-] 155176224 NNIXREODFAJZMK-RYUDHWBXSA-N 305.378 1.997 5 40 DDBB CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1C2CC3CC(C2)CC1C3 53836584 BVZGHSIIMYTEOJ-UHFFFAOYSA-N 319.365 1.469 5 40 DDBB CCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(N)=O 20059556 NHCCIZNQFXGQNQ-UHFFFAOYSA-N 311.345 1.472 5 40 DDBB CC[N+](C)(C)CCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 5884569 SPQFWVDODIEBOO-UHFFFAOYSA-O 322.429 1.176 5 40 DDBB Cn1c(SCCn2cc([N+](=O)[O-])cn2)nnc1-c1ccco1 74783010 NHQDYJIZYSTODV-UHFFFAOYSA-N 320.334 1.972 5 40 DDBB O=[N+]([O-])c1ccc(Sc2nc(O)cc(O)n2)c([N+](=O)[O-])c1 17118432 NGLAKHKSFQHATJ-UHFFFAOYSA-N 310.247 1.855 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCc1ccccc1 6120297 ASBRNCQMDOSKBY-UHFFFAOYSA-N 315.329 1.506 5 40 DDBB COC[C@@H](O)CN(C)c1cc(C)nc2ccc([N+](=O)[O-])cc12 97083811 IPLJEUAQLLWNTO-LBPRGKRZSA-N 305.334 1.895 5 40 DDBB O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 44467872 KQRFWZPZEDRKNB-FZMZJTMJSA-N 314.345 1.934 5 40 DDBB Cc1c(C(=O)OCC(=O)NCc2ccco2)cccc1[N+](=O)[O-] 3219233 YWRIMDJXIGISMH-UHFFFAOYSA-N 318.285 1.969 5 40 DDBB CS(=O)(=O)N1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 58440339 LBUYPYHEUALUGB-SNVBAGLBSA-N 317.342 1.570 5 40 DDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1nccs1 65487534 NZYCAUSCOUUYLL-UHFFFAOYSA-N 313.360 1.838 5 40 DDBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)NC1CCCC1 6533644 RNFRJIJGBGQMTO-SECBINFHSA-N 321.333 1.781 5 40 DDBB Cc1cccc(CNC(=O)Cn2ccc(C)c([N+](=O)[O-])c2=O)c1 84210721 WTOKJNKRGOKYNT-UHFFFAOYSA-N 315.329 1.690 5 40 DDBB Cc1ccc(S(=O)(=O)NCCc2ccncc2)cc1[N+](=O)[O-] 4690190 YYDYZOMCVAEJAB-UHFFFAOYSA-N 321.358 1.819 5 40 DDBB Cc1ccc(NC(=O)CSc2nnc(C)n2N)cc1[N+](=O)[O-] 3486552 VUCVWDPTYAXTGF-UHFFFAOYSA-N 322.350 1.248 5 40 DDBB O=C(C[C@H]1OC[C@@H]2CCCN2C1=O)Nc1ccc([N+](=O)[O-])cc1 4164153 OIRIGZAYACCDCH-QWHCGFSZSA-N 319.317 1.313 5 40 DDBB O=C(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCC1 69519249 IWNRHEQOFWTQKY-UHFFFAOYSA-N 315.333 1.866 5 40 DDBB CN(C[C@@H]1COc2ccccc2O1)c1c([N+](=O)[O-])ncn1C 7124325 GNILTHJIDSNLSX-SNVBAGLBSA-N 304.306 1.605 5 40 DDBB NC(=O)C[C@@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 87221760 XFTGNZWINOXPLJ-ZDUSSCGKSA-N 319.361 1.784 5 40 DDBB O=c1c(Br)cn(CC2CCOCC2)cc1[N+](=O)[O-] 96476074 YXLNRZJUEWMTBC-UHFFFAOYSA-N 317.139 1.946 5 40 DDBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccncc1 20898573 QQAXFVRYUWYEJU-UHFFFAOYSA-N 300.318 1.986 5 40 DDBB COc1cc([N+](=O)[O-])ccc1OCC(=O)NC[C@@H]1CCCO1 69388996 AGAHSIYERWUIHL-NSHDSACASA-N 310.306 1.277 5 40 DDBB NS(=O)(=O)Cc1cccc(CNc2ncccc2[N+](=O)[O-])c1 58218107 DDKVPFPPNBMDIN-UHFFFAOYSA-N 322.346 1.390 5 40 DDBB Cn1nc(-c2ccncc2)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] 95449837 DARMOUGBEBIJJC-UHFFFAOYSA-N 313.277 1.366 5 40 DDBB Cn1cc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2=O)cn1 98018842 BYJHMTAWEGZXAF-UHFFFAOYSA-N 315.333 1.177 5 40 DDBB Cc1nc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)no1 108224457 VAUFLKNZONNBEW-UHFFFAOYSA-N 307.222 1.124 5 40 DDBB C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 57720198 GOGYCYZMAWPRFE-NSHDSACASA-N 307.350 1.573 5 40 DDBB O=C(O)c1n[nH]c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1[N+](=O)[O-] 104189003 XXCYBPXAVQZNBR-UHFFFAOYSA-N 323.177 1.500 5 40 DDBB O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Cl 4175775 UCXIUCULNQFYQG-QMMMGPOBSA-N 320.754 1.706 5 40 DDBB CN(C)C(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5711604 UHUOLTXXBRFOFL-UHFFFAOYSA-N 321.333 1.440 5 40 DDBB CN1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 9220717 KLLBAJRAINFWSX-UHFFFAOYSA-N 304.350 1.239 5 40 DDBB Nc1nc(N[C@H]2CCO[C@H]2c2ccccc2)ncc1[N+](=O)[O-] 75092195 MYMSLGNMVPPVGU-JQWIXIFHSA-N 301.306 1.909 5 40 DDBB Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1[N+](=O)[O-] 197189101 MGXPBFSXDVZTQW-RNJOBUHISA-N 318.285 1.496 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)n2ccnc2)CC1 10006600 WAMFCWAUZDMPTF-UHFFFAOYSA-N 315.333 1.890 5 40 DDBB CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(C)C1 56288359 WFPOTFZCMSGLFJ-CYBMUJFWSA-N 319.361 1.810 5 40 DDBB O=C(O[C@H]1CCOC1=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4840430 LOLYTEZKYAMDKM-ZDUSSCGKSA-N 320.301 1.667 5 40 DDBB C[S@@](=O)c1nncn1-c1ccc([N+](=O)[O-])c(OC(F)F)c1 92653931 XSRZXXPILGWQSF-NRFANRHFSA-N 318.261 1.514 5 40 DDBB NS(=O)(=O)C[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 71899637 JWOXHGBOEYEIHK-VIFPVBQESA-N 317.342 1.239 5 40 DDBB O=c1c2cnc3ncnn3c2ccn1-c1cccc([N+](=O)[O-])c1 19959092 IFSQWUVGSSKODX-UHFFFAOYSA-N 308.257 1.337 5 40 DDBB COC[C@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 75140804 JKHAYNBTONNADQ-MRVPVSSYSA-N 303.702 1.377 5 40 DDBB C[N+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)CCOCC1 247633215 CDFJUUFTPWMARE-NSHGMRRFSA-N 312.498 1.889 5 40 DDBB Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 12556122 KJXYZDDXVUXCNL-UHFFFAOYSA-N 320.330 1.717 5 40 DDBB COC(=O)[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C 71916101 GDYCRDSZYMPVOY-CYBMUJFWSA-N 324.333 1.678 5 40 DDBB CO[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 195557602 JBNPBVJLPQJFFS-KBPBESRZSA-N 307.350 1.102 5 40 DDBB O=[N+]([O-])c1cn(CC(F)(F)F)nc1I 675032234 VJZJSMZDZBEKAI-UHFFFAOYSA-N 320.996 1.958 5 40 DDBB CONC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 69457029 HCPWFHAQDQMFNR-GFCCVEGCSA-N 307.306 1.185 5 40 DDBB Nc1nc(Nc2cccc(F)c2)nc(NCCO)c1[N+](=O)[O-] 5119666 OLZQPKFBLUSUMM-UHFFFAOYSA-N 308.273 1.254 5 40 DDBB O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1CO 81499801 MGMAXMSYEINRDH-ZIAGYGMSSA-N 321.377 1.988 5 40 DDBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C=C[C@H]2O1 408728432 MGSUPBAXDDKNCB-DDHJBXDOSA-N 320.688 1.691 5 40 DDBB O=C(O)c1cc([N+](=O)[O-])ccc1NCCCN1CCOCC1 314530066 VSKFSGPNKPKDHG-UHFFFAOYSA-N 309.322 1.427 5 40 DDBB Cc1cc(NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)n(C)n1 40512234 IIYYVQOYUPSBJY-UHFFFAOYSA-N 303.322 1.955 5 40 DDBB O=C(NCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[nH]c1=O 12980647 XWLUCHNARKJXCN-UHFFFAOYSA-N 321.720 1.909 5 40 DDBB CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CCN(CC)CC2)n1 4305988 PEKLNJBSTQUIBP-JTQLQIEISA-N 323.401 1.319 5 40 DDBB Cn1nc(I)c([N+](=O)[O-])c1C(F)(F)F 675031000 CZCPJBHAGUOZJY-UHFFFAOYSA-N 320.996 1.952 5 40 DDBB CCOC(=O)CSc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1475654 YUOZKPUIOXWBQK-UHFFFAOYSA-N 319.360 1.654 5 40 DDBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 101103907 DWBRKRTWHDOAPE-NFFDBFGFSA-N 314.297 1.736 5 40 DDBB NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 340645 YYKLSIYMWCBVLV-GXDHUFHOSA-N 311.297 1.851 5 40 DDBB COC(=O)/C=C(\Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OC 100010749 VZLWMHBOUYOKRI-TWGQIWQCSA-N 314.681 1.890 5 40 DDBB COc1cc(C(OC(C)=O)OC(C)=O)c([N+](=O)[O-])cc1OC 354024 HAFYFYSWTLFKFB-UHFFFAOYSA-N 313.262 1.737 5 40 DDBB Cn1cnnc1Sc1ccc([N+](=O)[O-])cc1/C=C/C(N)=O 59488640 CWEFZYDCMWFBSB-GORDUTHDSA-N 305.319 1.373 5 40 DDBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 67703530 WNXMLJCDDZFPBD-OQHXTRMZSA-N 301.346 1.961 5 40 DDBB Cc1cc(C)c(CNC(=O)c2ccccc2[N+](=O)[O-])c(=O)[nH]1 9458643 FPXMGSSDTWFCHS-UHFFFAOYSA-N 301.302 1.830 5 40 DDBB COC(=O)c1ccccc1NC(=O)Cn1nc([N+](=O)[O-])cc1C 197051 SWQYWZZYKPDZBA-UHFFFAOYSA-N 318.289 1.525 5 40 DDBB O=C(O)Cc1cc(I)c(O)c([N+](=O)[O-])c1 2035965 KPWFDZXSCIFGNO-UHFFFAOYSA-N 323.042 1.532 5 40 DDBB in-vitro O=c1[nH]c(=O)n(CCCOc2ccc(F)cc2)cc1[N+](=O)[O-] 75612009 YPZACLZPGDBJEC-UHFFFAOYSA-N 309.253 1.053 5 40 DDBB O=[N+]([O-])c1ccccc1NCCCCN1CCN(CCO)CC1 79311299 ZOZMHNDENNGDHM-UHFFFAOYSA-N 322.409 1.397 5 40 DDBB COCCOC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 29903288 CLXWGXPWSGBJSM-UHFFFAOYSA-N 310.306 1.235 5 40 DDBB CC(=O)[C@H](C)OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 22139468 ZDPPXOSUXFWMRJ-NSHDSACASA-N 322.317 1.566 5 40 DDBB C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)O1 12635786 VKZDKKDSFCEERV-AOOOYVTPSA-N 314.363 1.612 5 40 DDBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CCOC2)CC1 84502361 SXJXZSBACBEXGJ-CQSZACIVSA-N 319.361 1.070 5 40 DDBB COCCCNC(=O)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 72329424 VPRPPMBEPQBBBJ-UHFFFAOYSA-N 304.306 1.751 5 40 DDBB O=C(OCC1CCN(CC(F)(F)F)CC1)[C@H]1C[C@H]1[N+](=O)[O-] 77944573 IOAGGIGSQZJAPK-VHSXEESVSA-N 310.272 1.469 5 40 DDBB O=C(O)c1c([N+](=O)[O-])c(O)cc(Br)c1[N+](=O)[O-] 2573848 DMSNDYRBUGDIIU-UHFFFAOYSA-N 307.012 1.669 5 40 DDBB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c([N+](=O)[O-])c1 3189352 YJUXAHHGLSJLAO-QMMMGPOBSA-N 318.738 1.165 5 40 DDBB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 100615678 XGHKLCSMNZGIHH-BJDJZHNGSA-N 322.248 1.327 5 40 DDBB O=C(Nc1cccnc1N1CCSCC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 51988306 SCGNQMCMBAENPE-KOLCDFICSA-N 308.363 1.239 5 40 DDBB O=C(Cc1noc([C@@H]2C[C@@H]2[N+](=O)[O-])n1)Nc1ccc(F)cc1 95394457 LCWAXCFLHYXSJT-ZJUUUORDSA-N 306.253 1.523 5 40 DDBB COc1ccc(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)cc1C 19943347 AMPCAQSBSLHNGB-UHFFFAOYSA-N 311.319 1.654 5 40 DDBB C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)n1cc([N+](=O)[O-])cn1 97047989 JNIWXRQRMJNCRT-GXFFZTMASA-N 316.317 1.992 5 40 DDBB O=C(NCc1nccn1C(F)F)c1cc([N+](=O)[O-])ccc1O 97052540 CKZJNLAWIOKQQU-UHFFFAOYSA-N 312.232 1.822 5 40 DDBB CN(CC(=O)NCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] 26346777 ZNRKTQTWNSHWMG-UHFFFAOYSA-N 305.256 1.705 5 40 DDBB Nc1nc(NC[C@@H]2CCCO2)nc(N2CCCCC2)c1[N+](=O)[O-] 5033189 JNQPUBTUSYLJRT-JTQLQIEISA-N 322.369 1.548 5 40 DDBB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 48333749 AFRICNPCGFDLKI-GFCCVEGCSA-N 321.333 1.946 5 40 DDBB Cc1ccc(NC[C@H]2CCCN2S(C)(=O)=O)c([N+](=O)[O-])c1 96483913 MLICSCYLMTWDIJ-LLVKDONJSA-N 313.379 1.739 5 40 DDBB COc1ccc(C(=O)N[C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] 24805847 RZDREDWSVQNKAH-JTQLQIEISA-N 304.306 1.618 5 40 DDBB O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1C[C@H]1[N+](=O)[O-] 106869755 FYGOPLWBHSLLPV-GBIKHYSHSA-N 311.288 1.325 5 40 DDBB O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ncccn3)C2)nc1 44976675 WFMOBBWRIXNBIR-LLVKDONJSA-N 300.322 1.861 5 40 DDBB CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCc2ccccc21 48317794 IBTSKWIMCWDGTB-GFCCVEGCSA-N 301.306 1.332 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(NCc2ccccc2)n1 5091068 GHESIEOXDYPDSC-UHFFFAOYSA-N 318.337 1.637 5 40 DDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(C)n1 9338452 OKHIDXNCHWZKLV-UHFFFAOYSA-N 312.307 1.138 5 40 DDBB COCCN(CCC(=O)OC)c1ncc([N+](=O)[O-])cc1Cl 75107045 DPKOJFKGFLWFDM-UHFFFAOYSA-N 317.729 1.659 5 40 DDBB COC[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 79090992 NBTDPSVLQQHJNI-GFCCVEGCSA-N 307.350 1.892 5 40 DDBB O=C(O)CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 76945741 PKEVWPSTYFQXQH-UHFFFAOYSA-N 300.183 1.298 5 40 DDBB in-vitro NC(=O)[C@H](CNc1ccncc1[N+](=O)[O-])Cc1ccc(F)cc1 75127644 MINXHJSPBNWEHG-NSHDSACASA-N 318.308 1.885 5 40 DDBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 18058561 BVLNLBMVGURYKE-MPZDIEGVSA-N 300.270 1.346 5 40 DDBB Cc1cc(N2CCC[C@H]2CN2CCOCC2)ncc1[N+](=O)[O-] 160401646 KNVXXEBTYFNUKX-ZDUSSCGKSA-N 306.366 1.599 5 40 DDBB CCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 32435361 LVOLUBPQRBRELY-UHFFFAOYSA-N 300.336 1.776 5 40 DDBB CCCC(=O)NCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 40511929 FALFCLZROBAQFF-UHFFFAOYSA-N 308.338 1.039 5 40 DDBB Cc1cc(=O)n(C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 78976320 RCFPGSCSKWZMQJ-UHFFFAOYSA-N 301.302 1.783 5 40 DDBB Nc1nc(Nc2cccc(Cl)c2)nc(NCCO)c1[N+](=O)[O-] 9411357 TZLRGFTYOCMVES-UHFFFAOYSA-N 324.728 1.768 5 40 DDBB O=c1[nH]c(=O)n(Cc2csc(-c3ccoc3)n2)cc1[N+](=O)[O-] 72292148 XOMIMEZARROXPX-UHFFFAOYSA-N 320.286 1.210 5 40 DDBB O=[N+]([O-])c1ccn(Cc2nc(-c3ccc4c(c3)OCO4)no2)n1 4770125 REYLOWPOQJZIDI-UHFFFAOYSA-N 315.245 1.618 5 40 DDBB Cc1cc2ncn(C[C@H](O)Cn3cnc([N+](=O)[O-])c3)c2cc1C 76481597 YQTSFLDYOOEIEE-GFCCVEGCSA-N 315.333 1.819 5 40 DDBB O=[N+]([O-])c1ccc(/C=C/c2cnc(N3CCOCC3)nc2)nc1 96460607 FMNAJYPHHMCSEV-OWOJBTEDSA-N 313.317 1.787 5 40 DDBB CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 51535323 YGUYAABUOOKUNU-NSHDSACASA-N 314.363 1.093 5 40 DDBB O=C(NCCN1CCOCC1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991884 WAACQVOYDYDEGT-UHFFFAOYSA-N 319.361 1.075 5 40 DDBB C[C@@H]1[C@H](OC[C@@H](O)C[N+]2(C)CCOCC2)[C@H]2CC[C@H]1C2(C)C 245240434 RYESREMBPRLDBC-SIRPWMCASA-N 312.474 1.911 5 40 DDBB CN1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 69844547 YRSJAGIAWRMDTN-NSHDSACASA-N 313.379 1.215 5 40 DDBB O=C(Cn1cnnn1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 96007645 XLBWYSHFCVTCLC-UHFFFAOYSA-N 316.199 1.239 5 40 DDBB CC(C)C[C@@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 71045280 VXWKOUDOBRESPZ-GFCCVEGCSA-N 310.354 1.455 5 40 DDBB Cc1ccnc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 95433685 SJNWYEPKCNVQCY-NSHDSACASA-N 300.322 1.779 5 40 DDBB CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 32902815 MMGQTARCKHGVJO-VOTSOKGWSA-N 317.345 1.593 5 40 DDBB O=C(CNC(=O)c1ccco1)OCc1ccccc1[N+](=O)[O-] 25114417 AGTCCBRXHKMNBL-UHFFFAOYSA-N 304.258 1.661 5 40 DDBB O=C(CCNc1ccc([N+](=O)[O-])cn1)NCCCn1ccnc1 13728687 XIVKYLLBHBFPAA-UHFFFAOYSA-N 318.337 1.195 5 40 DDBB Nc1nc(NC[C@H]2CCCO2)nc(N2CCCC2)c1[N+](=O)[O-] 4306207 VUNKYXUMSZENDN-SECBINFHSA-N 308.342 1.158 5 40 DDBB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 5207084 XLGBZKUEJGMPIE-UHFFFAOYSA-N 316.335 1.014 5 40 DDBB C[C@H]1CCCN([C@@]2(O)C(=O)N(C)c3ccc([N+](=O)[O-])cc32)C1 15016993 QCRYIEAIXFKWNH-BONVTDFDSA-N 305.334 1.448 5 40 DDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@](C)(CO)C1CC1 84041513 ZJTBLHBLRYGUOM-ZDUSSCGKSA-N 314.363 1.343 5 40 DDBB C[C@@H]([C@@H](O)c1cc(=O)c(OCc2ccccc2)co1)[N+](=O)[O-] 480940 ZBINPMGAVPHASE-ZUZCIYMTSA-N 305.286 1.917 5 40 DDBB C[N+]1(C)[C@@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]12 100069022 LZCOQTDXKCNBEE-MZBWOGCUSA-N 318.393 1.063 5 40 DDBB in-man Nc1nc(NC[C@H]2COc3ccccc3O2)ncc1[N+](=O)[O-] 58356879 SCYGOHLZGQNSPL-QMMMGPOBSA-N 303.278 1.219 5 40 DDBB CCOC(=O)c1cc(C(=O)O[C@@H]2CCOC2=O)cc([N+](=O)[O-])c1 10857312 VGGZTTFBHCOCKM-LLVKDONJSA-N 323.257 1.244 5 40 DDBB CN(C)c1ncncc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 89322918 KMUBUYBBMKZIJU-UHFFFAOYSA-N 301.306 1.632 5 40 DDBB CC(C)(C(=O)O)n1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1 408715267 AJTQXGZHJYHWLB-UHFFFAOYSA-N 311.216 1.942 5 40 DDBB COc1ncccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 30307467 BWJUBXOYPNDULU-UHFFFAOYSA-N 301.302 1.857 5 40 DDBB O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1cc([N+](=O)[O-])c[nH]1 22160953 FBCFVPUVDWXDOD-GFCCVEGCSA-N 319.273 1.054 5 40 DDBB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1 102791807 XSTUVDAWWKNVCV-JJLJGCLUSA-N 317.370 1.999 5 40 DDBB COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@H](C2)[N+](C)(C)CC[C@@]314 217514095 MLIBORQWQWVNCO-JCNUMZABSA-N 314.405 1.646 5 40 DDBB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N3CCOCC3)cc21 5393643 RTKVQBNFEANDJC-UHFFFAOYSA-N 320.349 1.588 5 40 DDBB N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 79442779 TVHHNERSENUVQJ-AWEZNQCLSA-N 301.302 1.809 5 40 DDBB COC(=O)c1cc(N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] 108170938 QPTKIYNOGJLBGG-ABAIWWIYSA-N 319.361 1.912 5 40 DDBB CC[C@H](C)[C@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])C(N)=O 84721406 LBQBHKQALAQANF-UFBFGSQYSA-N 308.338 1.266 5 40 DDBB CCO/C=C1/N=C(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)OC1=O 1612482 YGWCBDDMCQHGCJ-UXBLZVDNSA-N 321.245 1.993 5 40 DDBB COc1cc(C(=O)NCCn2ccnc2)cc([N+](=O)[O-])c1C 188655353 ZUJSCGJGAPYGAV-UHFFFAOYSA-N 304.306 1.538 5 40 DDBB Cn1nccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 189646729 HFIXYBUMVANSIN-UHFFFAOYSA-N 310.335 1.344 5 40 DDBB CC[C@H](NCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 96492289 QFPRBGDQAZSELT-AWEZNQCLSA-N 307.350 1.494 5 40 DDBB Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 4155274 SRUBONBFSBVIBK-SNVBAGLBSA-N 309.278 1.720 5 40 DDBB CCOC(=O)Cc1nnc(Sc2ncccc2[N+](=O)[O-])n1C 8747221 RBOFTYQQTSSZHJ-UHFFFAOYSA-N 323.334 1.375 5 40 DDBB CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC)C2=O)c1O 409245390 SBZMWINKIVTSKB-UXBLZVDNSA-N 321.289 1.612 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)O)CC1 216931893 MTVOSKGZZAHVNU-UHFFFAOYSA-N 308.290 1.682 5 40 DDBB COc1ccc(Sc2nnc(C(F)F)n2N)c([N+](=O)[O-])c1 216904072 LRKKKBGSKZWPKP-UHFFFAOYSA-N 317.277 1.998 5 40 DDBB CSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])o1)C=C(C(=O)O)N2 102335769 QFUQAGJJXSFGPQ-LURJTMIESA-N 323.290 1.485 5 40 DDBB COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@H](C2)[N+](C)(C)CC[C@@]341 101158191 MLIBORQWQWVNCO-JELDOXETSA-N 314.405 1.646 5 40 DDBB CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](CO)C1 58356608 YTOYEDMAQSVZIQ-NSHDSACASA-N 308.334 1.980 5 40 DDBB COCCCNc1nc(N)c([N+](=O)[O-])c(N2CCCCC2)n1 4305972 XGYDYCNPCVVEQA-UHFFFAOYSA-N 310.358 1.406 5 40 DDBB CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(N)=O)C1 69567955 PAMXOKKSEFGGSW-NSHDSACASA-N 307.350 1.689 5 40 DDBB CCNC(=O)C1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 71893836 OQCGFRCEKAYLLM-UHFFFAOYSA-N 307.350 1.956 5 40 DDBB Cc1ccc(C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 408561737 KRQYCCMFXZWDPW-UHFFFAOYSA-N 303.274 1.865 5 40 DDBB CCN1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 69419047 SGPNGECWXQKUDI-SNVBAGLBSA-N 310.329 1.530 5 40 DDBB CCC1([N+](=O)[O-])COP(=O)(NCc2cccnc2)OC1 13283277 JRNRSSLZFWTERJ-UHFFFAOYSA-N 301.239 1.752 5 40 DDBB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc([N+](=O)[O-])cn1C 21839896 ILTDLHDREOBWOH-CMPLNLGQSA-N 323.349 1.785 5 40 DDBB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] 28326850 FSHYQCVUNFDGGQ-GXFFZTMASA-N 314.363 1.749 5 40 DDBB C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(=O)NC1CC1 12910837 JRZBORYZJDVUSI-QMMMGPOBSA-N 321.289 1.128 5 40 DDBB CN1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 91028343 WJWJBRIKCHAISC-UHFFFAOYSA-N 313.379 1.062 5 40 DDBB CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@]1(C)CCS(=O)(=O)C1 4505141 MASCMZFXHRXBCQ-CYBMUJFWSA-N 312.347 1.244 5 40 DDBB CCN(CC)S(=O)(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 20666723 WKWXSIFLUJNSBQ-UHFFFAOYSA-N 324.362 1.811 5 40 DDBB CCN(CCNS(C)(=O)=O)c1ccc([N+](=O)[O-])c(C)c1 4042472 POKXCJFTRQWMMG-UHFFFAOYSA-N 301.368 1.279 5 40 DDBB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CS2 23243622 USJKCWFATYEHOX-BXUZGUMPSA-N 321.358 1.987 5 40 DDBB Cc1ccc([N+](=O)[O-])c(C(=O)NCCCn2ccccc2=O)c1 96426302 NLNQKUCXRDCXGW-UHFFFAOYSA-N 315.329 1.885 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1 29237427 NAHDZAIJWAGTHR-UHFFFAOYSA-N 307.306 1.083 5 40 DDBB CCC(=O)N[C@H](COC(C)=O)[C@H](O)c1ccc([N+](=O)[O-])cc1 13355868 JOPRUKVGIPMAMF-TZMCWYRMSA-N 310.306 1.086 5 40 DDBB biogenic,in-vitro C[C@@H]1COCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 54462406 FYCDOQOGLOHMDT-LLVKDONJSA-N 303.322 1.532 5 40 DDBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCc1ccccc1 3234166 PVLHEHDMNKTIPI-UHFFFAOYSA-N 304.258 1.661 5 40 DDBB CC(C)C(=O)N[C@@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])C1 97046789 BJIFBZFTFZPZCR-CYBMUJFWSA-N 321.377 1.828 5 40 DDBB CN(CC1(O)CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 127939771 GOCUFMKAVGSIFT-UHFFFAOYSA-N 314.363 1.520 5 40 DDBB CCCN(CC(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 45813609 MWMXWJSWZXZMDG-UHFFFAOYSA-N 316.335 1.169 5 40 DDBB NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC2(CCC2)C1 96501140 WHRRVFPSEDHIOS-UHFFFAOYSA-N 311.363 1.623 5 40 DDBB COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 5510670 RYEKJAURVSKGDU-SNVBAGLBSA-N 315.709 1.663 5 40 DDBB CNC(=O)c1ccc(N[C@@H](C)c2nnc(C)o2)c([N+](=O)[O-])c1 79106241 WLNIXVQRBAABLT-ZETCQYMHSA-N 305.294 1.819 5 40 DDBB O=c1c([N+](=O)[O-])cccn1CCCS(=O)(=O)c1ccccc1 58377061 QLHLCHBUZWEAII-UHFFFAOYSA-N 322.342 1.621 5 40 DDBB COC(=O)CCCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] 9337814 IFOYGXJZBWNNQV-UHFFFAOYSA-N 321.333 1.852 5 40 DDBB Cn1cnc([N+](=O)[O-])c1NC1CCN(C(=O)c2ccoc2)CC1 24207087 CCOPZVYIIQNNQI-UHFFFAOYSA-N 319.321 1.638 5 40 DDBB CCCCC[N+](C)(C)CCOC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 104184188 JJACJBAQGASNLP-QMHWVQJVSA-N 324.441 1.994 5 40 DDBB O=C(O)CCCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1 1426494 JUALOLRAEVRNPN-UHFFFAOYSA-N 318.289 1.908 5 40 DDBB CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 54670554 BAHDTTRBGINTSK-ZDUSSCGKSA-N 321.333 1.479 5 40 DDBB O=C1Nc2cc([N+](=O)[O-])ccc2O[C@@H]1CCN1CCOCC1 20405101 HSELGPVFODMGGJ-CYBMUJFWSA-N 307.306 1.017 5 40 DDBB C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccccc1[N+](=O)[O-] 71904626 PTIQEWRVLCBOEO-WDEREUQCSA-N 300.380 1.848 5 40 DDBB COC(=O)[C@]1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 275485639 XZDWLBZRQNWLJE-HNNXBMFYSA-N 322.317 1.771 5 40 DDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCO1 27932530 JOEVWMPTKXODPO-JTQLQIEISA-N 300.336 1.361 5 40 DDBB CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 8703852 HLEJPVVNYYNCAR-GFCCVEGCSA-N 306.322 1.679 5 40 DDBB O=C(OCC1CCN(CC(F)(F)F)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] 77944561 IOAGGIGSQZJAPK-UWVGGRQHSA-N 310.272 1.469 5 40 DDBB Cc1n[nH]c2c1[C@@H](c1ccccc1[N+](=O)[O-])C1=C(COC1=O)N2 20086539 BEPKYCBNLUGZNV-GFCCVEGCSA-N 312.285 1.995 5 40 DDBB NC(=O)C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 32937623 ZYCJLNVVJYKBPI-UHFFFAOYSA-N 300.318 1.845 5 40 DDBB CCOC(=O)C[C@@H](n1cc([N+](=O)[O-])c(OC)n1)C(F)(F)F 685936702 RIWRGKUZSLPSQF-SSDOTTSWSA-N 311.216 1.857 5 40 DDBB CCO/C=C1\N=C(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)OC1=O 16952662 YGWCBDDMCQHGCJ-POHAHGRESA-N 321.245 1.993 5 40 DDBB Cc1noc(C)c1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 32911799 HHXDKYGZDNFWSN-UHFFFAOYSA-N 317.349 1.917 5 40 DDBB CCOC(=O)c1cnn(-c2c([N+](=O)[O-])ncn2C)c1C(F)F 72284372 QDBRHCNYSJHVKM-UHFFFAOYSA-N 315.236 1.628 5 40 DDBB O=C(Cc1noc([C@H]2C[C@H]2[N+](=O)[O-])n1)Nc1ccc(F)cc1 95394460 LCWAXCFLHYXSJT-VHSXEESVSA-N 306.253 1.523 5 40 DDBB O=c1[nH]c(/C=C\c2ccc(O)c(Cl)c2)nc(O)c1[N+](=O)[O-] 13482090 YYXAHYHYXQLSIZ-RQOWECAXSA-N 309.665 1.913 5 40 DDBB CCOc1ccc([N+](=O)[O-])cc1Cn1cc(F)c(=O)[nH]c1=O 804812 ZOOQHDAGLYVANE-UHFFFAOYSA-N 309.253 1.031 5 40 DDBB CC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)CC 4217493 DIWYJMPVHQDIMM-UHFFFAOYSA-N 318.458 1.046 5 40 DDBB in-man CC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccco1 26966948 PJOLEXZMXOPCSO-CQSZACIVSA-N 303.274 1.945 5 40 DDBB CCN1CCO[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 4269502 IBDYZGWSYUTBNP-LBPRGKRZSA-N 307.306 1.171 5 40 DDBB C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 14220835 JMIKSBBXZQEPBL-SKDRFNHKSA-N 300.336 1.441 5 40 DDBB NC(=O)c1ccc(CSc2cccc[n+]2[O-])c([N+](=O)[O-])c1 16118490 VNVSBOKEZSLCMU-UHFFFAOYSA-N 305.315 1.619 5 40 DDBB COc1cc(NC(=O)CSc2n[nH]c(C)n2)ccc1[N+](=O)[O-] 408555042 GVVKKODNUDIUKN-UHFFFAOYSA-N 323.334 1.761 5 40 DDBB CC(=O)c1ccc(NC[C@](C)(O)c2cnn(C)c2)c([N+](=O)[O-])c1 72294829 VXLYDRLGBYFYAL-HNNXBMFYSA-N 318.333 1.851 5 40 DDBB O=[N+]([O-])c1ccc(N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 5390776 QRBWGKPOHPKJOD-SSDOTTSWSA-N 301.280 1.102 5 40 DDBB CC(C)OC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1ccccc1 32932279 AVUXGTAVPNLZIB-IHRRRGAJSA-N 320.345 1.851 5 40 DDBB O=C(NCCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(F)(F)F 43828061 WZAQNOUVPIHSTQ-UHFFFAOYSA-N 323.183 1.430 5 40 DDBB CCc1ncncc1C(=O)NCCNc1ccccc1[N+](=O)[O-] 44354383 GNHSFHHOULJXGU-UHFFFAOYSA-N 315.333 1.789 5 40 DDBB COc1cccc2c(=O)c3c(O)cc(OCC(N)=O)cc3oc12 8488214 FKBJEZODKOWZPZ-UHFFFAOYSA-N 315.281 1.525 5 40 DDBB biogenic O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1C[C@@H]1[N+](=O)[O-] 55452786 CBCWMCXOKZMPJX-KBPBESRZSA-N 322.336 1.655 5 40 DDBB NC(=O)N1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 72285227 BTVQDYGSZVYMSF-UHFFFAOYSA-N 315.333 1.734 5 40 DDBB CC[C@H](C)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5447523 YNKKJIKHKKXGRM-NSHDSACASA-N 307.350 1.960 5 40 DDBB Cc1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 3387400 UJBFUCLAUIPZHC-GFCCVEGCSA-N 322.317 1.355 5 40 DDBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)C2CC2)CC1 25166240 CKYXEZIRJXZYRD-UHFFFAOYSA-N 317.345 1.218 5 40 DDBB O=C(NCCOC(=O)c1cccnc1)c1ccc([N+](=O)[O-])cc1 5676531 NRJBBXDJFPJPST-UHFFFAOYSA-N 315.285 1.577 5 40 DDBB NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 14256868 WZHSDRZMVLIWSK-UHFFFAOYSA-N 321.314 1.495 5 40 DDBB O=C(NCc1ccccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] 5251430 XNPQKLLTJFFOTK-UHFFFAOYSA-N 317.276 1.989 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 100505717 HAOQAKSTJMZPAN-QCQGSNGOSA-N 314.297 1.736 5 40 DDBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)N1CCO[C@H](C)C1 31460758 XLTNFYWWDOBYEW-LLVKDONJSA-N 308.334 1.838 5 40 DDBB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 32764957 UAQKQANYXGBGFF-UHFFFAOYSA-N 313.313 1.966 5 40 DDBB COC(=O)[C@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 9114207 DILATLQRNZCYRJ-QMMMGPOBSA-N 307.306 1.460 5 40 DDBB C[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1C[C@@H]2O 104010026 IYSMYVOALXTCSU-KSWRQPAISA-N 320.409 1.046 5 40 DDBB O=C(NCC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 25085001 QTFCHRLWEUOXGM-UHFFFAOYSA-N 304.350 1.836 5 40 DDBB Cc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] 113941866 BWKHHVFAQRQIBJ-UHFFFAOYSA-N 313.379 1.276 5 40 DDBB Cc1cccc(S(=O)(=O)CCCn2cnc([N+](=O)[O-])n2)c1 97144316 LILWRTRPSCWMED-UHFFFAOYSA-N 310.335 1.359 5 40 DDBB COc1cccc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])c1 13523212 HKOTVZBWCLUWGR-UHFFFAOYSA-N 304.258 1.819 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](C(F)(F)F)C1 40504980 BBGLSZKHMHGTMV-ZETCQYMHSA-N 318.255 1.867 5 40 DDBB Cc1nn(CC(=O)Nc2cc(C(C)C)n[nH]2)c(C)c1[N+](=O)[O-] 58167446 JKKWIWJSQSDZMX-UHFFFAOYSA-N 306.326 1.893 5 40 DDBB NC(=O)C[C@@H]1CCCCN1c1nc2sccn2c1[N+](=O)[O-] 95446183 SKCNOXGCAUOJMZ-QMMMGPOBSA-N 309.351 1.538 5 40 DDBB COC[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 79091000 NBTDPSVLQQHJNI-LBPRGKRZSA-N 307.350 1.892 5 40 DDBB Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn(C)c1 96450992 KJOPMVOWXALONJ-UHFFFAOYSA-N 310.335 1.746 5 40 DDBB O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)C(F)(F)F)CC2)nc1 97378004 NTQCANGYZPLSTI-SNVBAGLBSA-N 320.271 1.035 5 40 DDBB O=C(O)/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1Br 32625363 MCLRKHYYVRAFFL-ARJAWSKDSA-N 315.079 1.937 5 40 DDBB O=C(Nc1ccccc1[N+](=O)[O-])c1cnc2n(c1=O)CCS2 4089017 RSQHLNWICYCSIE-UHFFFAOYSA-N 318.314 1.510 5 40 DDBB CN(Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])ccc1=O 83864252 QYUHXBARVAKERK-OAHLLOKOSA-N 317.345 1.249 5 40 DDBB CCc1cccc(OCCn2cc([N+](=O)[O-])c(=O)[nH]c2=O)c1 72292150 RCXLOLFCCMZSFH-UHFFFAOYSA-N 305.290 1.086 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])c1)NC1(c2ccccc2)CCC1 84525198 FINVQPCRRBPERI-UHFFFAOYSA-N 300.318 1.987 5 40 DDBB Cc1ccc(OCCCn2cc([N+](=O)[O-])c(=O)[nH]c2=O)cc1C 75143837 KALNEHZFRTULKH-UHFFFAOYSA-N 319.317 1.531 5 40 DDBB CNC(=O)c1ccc(N(C)Cc2ccccc2[N+](=O)[O-])nn1 96444862 XZRBPEWRVUQRBW-UHFFFAOYSA-N 301.306 1.381 5 40 DDBB O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)Cc1ccccc1 96436352 XCHVOVCIFPMVQB-INIZCTEOSA-N 314.341 1.857 5 40 DDBB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc([N+](=O)[O-])o1 126821 GRDHSWVANLMGQQ-UHFFFAOYSA-N 301.214 1.324 5 40 DDBB COc1cc([C@@H]2CC(=O)Nc3ncnn32)c([N+](=O)[O-])cc1OC 6169934 VKCIXRLVFXGHMA-QMMMGPOBSA-N 319.277 1.135 5 40 DDBB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1csc([N+](=O)[O-])c1 54426992 WDKGFOXSXFVODE-LLVKDONJSA-N 313.360 1.584 5 40 DDBB NC(=O)c1ccc(COC(=O)Cc2ccccc2[N+](=O)[O-])cc1 16753470 APDIAQCKKKNMTN-UHFFFAOYSA-N 314.297 1.980 5 40 DDBB C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 75260121 HJJYEFNLTSOMAR-AVGNSLFASA-N 310.350 1.444 5 40 DDBB O=C(CCn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1F 40025036 NDXWMRUWXCFVKF-UHFFFAOYSA-N 305.265 1.924 5 40 DDBB Cc1c(CN(C)C[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] 96419665 VWOXMLFWEMQRRM-LBPRGKRZSA-N 312.391 1.770 5 40 DDBB O=C(O)[C@@H](Cc1cnc[nH]1)NSc1ccccc1[N+](=O)[O-] 16450549 SOSLVRIJNNVZAY-SECBINFHSA-N 308.319 1.611 5 40 DDBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)O 329083 CAGKXKWJPWHHEO-UHFFFAOYSA-N 324.318 1.479 5 40 DDBB N[C@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4517182 OFKKPUNNTZKBSR-SECBINFHSA-N 312.282 1.497 5 40 DDBB in-vitro O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cc([N+](=O)[O-])ccc1F 7929545 KGFQYWYIUXRREI-IAWGOJCDSA-N 320.276 1.870 5 40 DDBB CC(=O)NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8902633 ONVMJKVPOREKIG-UHFFFAOYSA-N 324.362 1.264 5 40 DDBB C[C@@H]1CN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)O1 106057213 KLRMITJZOLXIFO-GMTAPVOTSA-N 311.338 1.415 5 40 DDBB O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)OCO2 1424778 ZMMHMLCYBSEJFK-UHFFFAOYSA-N 318.289 1.939 5 40 DDBB C[C@H](c1cnn(C)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O 119012383 KGHSBKRNHUAHFS-SECBINFHSA-N 304.306 1.867 5 40 DDBB Cc1nn(C)c(NC[C@H](O)COc2ccc(F)cc2)c1[N+](=O)[O-] 57149375 LFEJXMFHJWNLRO-NSHDSACASA-N 324.312 1.628 5 40 DDBB CN(C)CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2512854 OEJPKGAXPXTNNE-UHFFFAOYSA-N 307.759 1.088 5 40 DDBB COC[C@@H](C)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 65577117 GDDKZAWQUZOUQW-GFCCVEGCSA-N 322.365 1.779 5 40 DDBB O=[N+]([O-])c1ccc(N2CCCC3(C2)OCCO3)c([N+](=O)[O-])c1 84351273 WQOOHXVRXQUPAW-UHFFFAOYSA-N 309.278 1.846 5 40 DDBB Cc1c(NC(=O)NCCCn2cnnc2O)cccc1[N+](=O)[O-] 585140825 LGGJQAJMBVBSSX-UHFFFAOYSA-N 320.309 1.412 5 40 DDBB C[C@H](COCC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 67593644 GDFFJRDTUPGTIT-SSDOTTSWSA-N 322.239 1.998 5 40 DDBB NC(=O)Nc1ccc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 25095390 YVSZLHJWOFGSSP-UHFFFAOYSA-N 316.273 1.130 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])n1)Nc1nc2ccccc2s1 8295908 LPVTWUASJGICFZ-UHFFFAOYSA-N 304.291 1.435 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 5390774 MXAUMPUTBGBHFZ-QMMMGPOBSA-N 315.307 1.350 5 40 DDBB O=C(Nc1ccc(O)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 10327287 QPOXSDDALJABNH-UHFFFAOYSA-N 301.258 1.878 5 40 DDBB COC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C 373492 NOOVTBSTUHUCEA-UHFFFAOYSA-N 308.319 1.655 5 40 DDBB C[C@H](OC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)NCc1cccs1 8329031 VNBNEZXWUZFDHT-QMMMGPOBSA-N 323.330 1.846 5 40 DDBB CCc1noc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 95432615 YHDTVXDKVFPALP-GFCCVEGCSA-N 306.322 1.706 5 40 DDBB Cc1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1[N+](=O)[O-] 18325211 MVBPNEBZEKXCHO-SECBINFHSA-N 308.319 1.398 5 40 DDBB NC1=Nc2nc3ccccc3n2[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1 18053638 GIANUNRALKBLRR-CYBMUJFWSA-N 324.300 1.746 5 40 DDBB CC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408733591 LJAXIYCFNOSJAE-DVZHBHJUSA-N 314.297 1.818 5 40 DDBB CC1(C)O[C@@H]2O[C@@H](/C=C/[N+](=O)[O-])[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 5742109 PDOCTJUENKPCLN-DDTBSCNWSA-N 301.295 1.173 5 40 DDBB CCOC(=O)[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)CC 5199386 QOOOKRFYWXCNKD-NSHDSACASA-N 324.333 1.604 5 40 DDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2cc[nH]n2)c1C 40436420 FSHWFTCKQCYALY-UHFFFAOYSA-N 310.335 1.413 5 40 DDBB Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1[N+](=O)[O-] 182484 MUXGECPMCVCODZ-UHFFFAOYSA-N 324.296 1.997 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@H](O)COc2ccc(F)cc2)nc1 57149195 MDTWFYKXMWRTBM-LBPRGKRZSA-N 307.281 1.981 5 40 DDBB CCOC(=O)C1=C(N)Oc2ccc([N+](=O)[O-])cc2NC1=S 103623102 RPIAUXYYCBBHMZ-UHFFFAOYSA-N 309.303 1.460 5 40 DDBB CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 5517966 CSPOMIZSRDSZJN-LBPRGKRZSA-N 304.306 1.311 5 40 DDBB O=[N+]([O-])c1ncn(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)n1 95974822 JCCBKDYFZLXZLC-JTQLQIEISA-N 316.239 1.809 5 40 DDBB NS(=O)(=O)c1ccc(CNc2sccc2[N+](=O)[O-])cc1 97033872 XAVCZGCGWAHUDE-UHFFFAOYSA-N 313.360 1.916 5 40 DDBB CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O 21806386 IKEKVZSWZHUEFD-SNVBAGLBSA-N 320.298 1.121 5 40 DDBB O=C(NC[C@@H](O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 307780 BIWYCZGPSKTUKV-CQSZACIVSA-N 316.313 1.765 5 40 DDBB NS(=O)(=O)c1cc(C(=O)O)c(Cl)c([N+](=O)[O-])c1Cl 3954390 QRKBZGTWECLWEP-UHFFFAOYSA-N 315.090 1.247 5 40 DDBB in-vitro CC(C)Oc1ccccc1/C=C/c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] 12401657 SFUMQATXHJYLLQ-BQYQJAHWSA-N 317.301 1.929 5 40 DDBB CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2S[C@@H]12 104112667 FFIVSOJPUPMSCN-KQXIARHKSA-N 311.315 1.607 5 40 DDBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(C)c1 25305547 WHKRWQYJFQOEEQ-VIFPVBQESA-N 317.305 1.085 5 40 DDBB COc1ccc(C(=O)Nc2ncc(C(N)=O)s2)cc1[N+](=O)[O-] 12795574 NXKMRRRNQZINGU-UHFFFAOYSA-N 322.302 1.411 5 40 DDBB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1 6935931 JYPIOCZTHHESOY-UHFFFAOYSA-N 324.296 1.943 5 40 DDBB CCN(CC)C(=O)N1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 95403357 MAFGHVYCCJMTJG-UHFFFAOYSA-N 321.381 1.882 5 40 DDBB COC[C@H](O)CN(C)c1cc(C)nc2c([N+](=O)[O-])cccc12 95988668 FHVBVYOOVWSZPT-LLVKDONJSA-N 305.334 1.895 5 40 DDBB C[C@@H](C[S@@](C)=O)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F 95942199 SASGUGWJYKZRKB-PPRQPISWSA-N 317.342 1.965 5 40 DDBB CCN(CC(=O)NC(C)C)C(=O)c1cc(C)ccc1[N+](=O)[O-] 89960955 SZFVIPJMPBVKGJ-UHFFFAOYSA-N 307.350 1.890 5 40 DDBB CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCCc2ccccc21 53835538 JAWGPCDWXRJSCZ-CYBMUJFWSA-N 315.333 1.722 5 40 DDBB C[C@@H](NC(=O)CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccco1 9448104 XXGGBTSYIAYDDT-SECBINFHSA-N 320.305 1.134 5 40 DDBB Cc1cc(=O)n(CCCN2CCN(C(C)C)CC2)cc1[N+](=O)[O-] 188325740 KLNHDAYGORRTBF-UHFFFAOYSA-N 322.409 1.481 5 40 DDBB Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)no1 78251563 IUVXWKPYUCPFHY-UHFFFAOYSA-N 317.349 1.917 5 40 DDBB CC[N+](C)(CC)CCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 5799749 CLZLUJPUIIPLEQ-UHFFFAOYSA-O 322.429 1.176 5 40 DDBB Cc1[nH]c2ccccc2c1C(=O)OCCn1cnc([N+](=O)[O-])n1 75094103 ZZWNZCOIOLTEDA-UHFFFAOYSA-N 315.289 1.833 5 40 DDBB CN(C)c1ncc(CNc2nc3sccn3c2[N+](=O)[O-])n1C 69815677 CNICANICWCWSTN-UHFFFAOYSA-N 321.366 1.716 5 40 DDBB C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC1 4219421 IONWETXPBSRZRJ-SECBINFHSA-N 324.358 1.897 5 40 DDBB Cc1ccccc1CN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 6120178 NZWVBMSGWFQSTR-UHFFFAOYSA-N 315.329 1.724 5 40 DDBB Cc1ccccc1-n1ccc2nc3ccn(N)c(=O)c3cc2c1=O 40398595 QZAPJCZMGUDRQU-UHFFFAOYSA-N 318.336 1.723 5 40 DDBB CC[N+](C)(CC)CCNC(=O)c1c(O)[nH]c2ccccc2c1=O 6197579 CVERFXPTKKDZJE-UHFFFAOYSA-O 318.397 1.450 5 40 DDBB CC[C@H](C)n1c(=N)c(C(N)=O)cc2c(=O)n3ccccc3nc21 100088327 JISDJLHYCYNWLK-VIFPVBQESA-N 311.345 1.199 5 40 DDBB CCCNC(=O)[C@@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 5244748 CDRAKZKSBOEREF-WSKFYRRCSA-N 305.334 1.639 5 40 DDBB COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(=O)N1CCCC1 95945714 MBTNVTKORVCGOZ-UHFFFAOYSA-N 322.321 1.347 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cnnc1C1CC1 96412666 NCQXOPDAURILDC-UHFFFAOYSA-N 315.333 1.802 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)c([N+](=O)[O-])c1 101103909 DWBRKRTWHDOAPE-OQMKEHIESA-N 314.297 1.736 5 40 DDBB O=[N+]([O-])c1ccc(NC2CCN(c3ncccn3)CC2)nc1 52159910 JUZUMVXVQGJPQA-UHFFFAOYSA-N 300.322 1.861 5 40 DDBB CNC(=O)c1ccc(N[C@H]2CC(=O)N(C(C)C)C2)c([N+](=O)[O-])c1 60378018 USZGLEDWXGXNQM-NSHDSACASA-N 320.349 1.376 5 40 DDBB O=[N+]([O-])c1ccc(N2CCCN(c3ncccn3)CC2)nc1 69588026 IEDAMZOABSZWOW-UHFFFAOYSA-N 300.322 1.497 5 40 DDBB Cc1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])n(Cc2ccccc2)n1 44471088 FPYPCVXRXJFOAM-OLZOCXBDSA-N 300.318 1.844 5 40 DDBB Cc1cc(=O)nc2n1[C@@](O)(c1cccc([N+](=O)[O-])c1)CS2 27299416 KLMNPAPLVXRHBP-ZDUSSCGKSA-N 305.315 1.259 5 40 DDBB Nc1nc(N(Cc2ccco2)C[C@@H]2CCCO2)ncc1[N+](=O)[O-] 95421588 UXSNPAYYWKLZIZ-NSHDSACASA-N 319.321 1.746 5 40 DDBB O=C(NN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1[N+](=O)[O-] 139103606 TVARRPZQPCHHLM-UWVGGRQHSA-N 315.285 1.191 5 40 DDBB O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 2795670 QLUWDURAIKNZCM-UHFFFAOYSA-N 305.250 1.130 5 40 DDBB CC(C)(CNc1nc2ccccn2c1[N+](=O)[O-])N1CCOCC1 24340209 SXQJALPMGVRWMN-UHFFFAOYSA-N 319.365 1.765 5 40 DDBB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 44551512 HGPFCIBVTORZCE-AAEUAGOBSA-N 303.318 1.947 5 40 DDBB CCOC(=O)C1=NN(c2cc([N+](=O)[O-])ccc2C)[C@@H](C(=O)O)C1 71979306 OEUOJSVTZBBBPN-GFCCVEGCSA-N 321.289 1.486 5 40 DDBB COc1ccc(/C=C\c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1 17355075 DORJPRXOQFWKQJ-TWGQIWQCSA-N 317.301 1.171 5 40 DDBB CCOc1cc(/C=C2/SC(=N)NC2=O)cc([N+](=O)[O-])c1O 19312584 LKJDAYIPRHCNPB-WEVVVXLNSA-N 309.303 1.838 5 40 DDBB O=c1oc(=O)c2cc(Cl)c3c(=O)oc(=O)c4ccc1c2c43 102605715 SPUGFWOWSBPVMU-UHFFFAOYSA-N 302.625 1.302 5 40 DDBB COc1ccc(C(=O)NCCCn2cccn2)cc1[N+](=O)[O-] 30170631 ZCUNBURBHWFBRT-UHFFFAOYSA-N 304.306 1.620 5 40 DDBB CNC(=O)c1n[nH]nc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4635279 WQUFKRGKHCVOPJ-UHFFFAOYSA-N 324.278 1.132 5 40 DDBB NC(=O)c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 26705089 FHJTYXCGQYSPEQ-UHFFFAOYSA-N 307.306 1.037 5 40 DDBB CCCC[C@@H](C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2502215 OKWNWDANXPWWHI-JTQLQIEISA-N 306.274 1.834 5 40 DDBB COCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3525328 KJTXHNDFDMLMBQ-UHFFFAOYSA-N 302.670 1.376 5 40 DDBB COc1ccc2c(c1)CN(c1ncc([N+](=O)[O-])c(N)n1)CC2 65414254 JXPRHALYNJRMKY-UHFFFAOYSA-N 301.306 1.538 5 40 DDBB COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)nc(OC)n1 4499390 CJTNLOBHEPBDII-UHFFFAOYSA-N 304.262 1.654 5 40 DDBB O=C(c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1)N1CCOCC1 5943634 OHJYIDJEXJGFKC-UHFFFAOYSA-N 315.669 1.629 5 40 DDBB CCCCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 69770763 FOJVTHYURXITLB-UHFFFAOYSA-N 313.741 1.894 5 40 DDBB O=C(c1ccncc1)n1nc(-c2ccccc2)nc1C[N+](=O)[O-] 408733493 YKAVSBJTRVROGS-UHFFFAOYSA-N 309.285 1.805 5 40 DDBB C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)Oc1ccccc1 70905372 OUEPGVMYQHECJS-GFCCVEGCSA-N 318.333 1.765 5 40 DDBB Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)n[nH]1 96492129 LSOPRDSTUQOSMK-UHFFFAOYSA-N 317.353 1.047 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)OCCO2 2752395 MDNRMLVSQBRPIX-UHFFFAOYSA-N 304.262 1.201 5 40 DDBB C[C@H]1CN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)O1 106057215 KLRMITJZOLXIFO-MXWKQRLJSA-N 311.338 1.415 5 40 DDBB CC(=O)c1ccc(NC[C@H](C)N2CCOCC2)c([N+](=O)[O-])c1 25567739 OHQIFEYZAAHZTL-NSHDSACASA-N 307.350 1.930 5 40 DDBB CCCNC(=O)CN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 7680008 GHFUIDBKCJUMLA-UHFFFAOYSA-N 323.349 1.419 5 40 DDBB O=[N+]([O-])c1cccc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 71892936 OPWIZFYLRGCVMQ-CQSZACIVSA-N 310.375 1.746 5 40 DDBB O=c1ccc([N+](=O)[O-])cn1CCn1cc(Br)cn1 72275478 IFCFRTODKIOFCF-UHFFFAOYSA-N 313.111 1.416 5 40 DDBB CNC[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 40597135 ZXFWAUNQJKRUCQ-NSHDSACASA-N 313.379 1.215 5 40 DDBB CCn1cc(CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cn1 95982483 XYPIDSDNLXWWHL-UHFFFAOYSA-N 316.365 1.528 5 40 DDBB Cc1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)nc1 179253 INUBNOAGYQGZDE-UHFFFAOYSA-N 312.285 1.964 5 40 DDBB CCCCN[C@@H](CC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)O 7261751 UUGAWHCPGAFMMF-NSHDSACASA-N 309.322 1.766 5 40 DDBB C[C@H]1COCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 54462409 FYCDOQOGLOHMDT-NSHDSACASA-N 303.322 1.532 5 40 DDBB Cc1ccc(F)c(-n2nnnc2Cn2cc([N+](=O)[O-])cn2)c1 69437332 QKFNDOSTRXSCTK-UHFFFAOYSA-N 303.257 1.263 5 40 DDBB CNS(=O)(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 13056713 SNXPRNNBLUHSPW-UHFFFAOYSA-N 313.379 1.883 5 40 DDBB CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 71908290 UGWSAMBQNAZAEB-GFCCVEGCSA-N 307.350 1.892 5 40 DDBB Nc1nc(N[C@H]2CCO[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] 75092194 MYMSLGNMVPPVGU-CMPLNLGQSA-N 301.306 1.909 5 40 DDBB COCCN1C(=O)S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O 409138692 GPZNABCZBBBDNZ-YRNVUSSQSA-N 324.314 1.983 5 40 DDBB Cc1cc(=O)nc(Sc2ccc(C(=O)O)cc2[N+](=O)[O-])[nH]1 6160770 LJFCOOQGQCUESF-UHFFFAOYSA-N 307.287 1.836 5 40 DDBB CN1CCCC[C@@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 69627359 LPRPRHCCVFIJEA-CQSZACIVSA-N 319.409 1.596 5 40 DDBB O=C(O)C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 4428049 JBNMJWTUJUPUNW-NWDGAFQWSA-N 308.290 1.803 5 40 DDBB COC(=O)Cc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 9360074 QHVRAAJBWUXTMV-UHFFFAOYSA-N 322.302 1.414 5 40 DDBB 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 255986798 LZCOQTDXKCNBEE-JNNCMOEMSA-N 318.393 1.063 5 40 DDBB in-vitro Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCO1 27932535 JOEVWMPTKXODPO-SNVBAGLBSA-N 300.336 1.361 5 40 DDBB Cc1nnc(NC(=O)[C@@H](C)Cn2nc([N+](=O)[O-])cc2C)s1 2788177 ZXBHIQSURHXXDH-LURJTMIESA-N 310.339 1.534 5 40 DDBB CCn1ncc(CN(C)C(=O)CCn2ccc([N+](=O)[O-])n2)c1C 2780574 AMFIXCWUJCLHTA-UHFFFAOYSA-N 320.353 1.365 5 40 DDBB O=C(NN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 8475016 FZLWIMMRHATSNL-VXGBXAGGSA-N 315.285 1.191 5 40 DDBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1O 9234906 BWUXDNBZWJELLD-GQCTYLIASA-N 319.273 1.658 5 40 DDBB COc1ccc(COC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1 4912810 PPXGFFNVBCLSHF-UHFFFAOYSA-N 305.290 1.852 5 40 DDBB C[C@H]1CN(CCCCNc2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 75110058 NTDOQKNLDRTRMK-QWRGUYRKSA-N 324.385 1.268 5 40 DDBB O=C(NCCCF)c1cccc([N+](=O)[O-])c1N1CCOCC1 96494226 IGRHMKQPQWZBRU-UHFFFAOYSA-N 311.313 1.521 5 40 DDBB O=C(C[C@H]1C=CCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 33110936 CNCSDPQULNWENS-ZDUSSCGKSA-N 316.361 1.995 5 40 DDBB CCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 346444 BQVYUQIDNMOXRH-NSHDSACASA-N 307.350 1.818 5 40 DDBB Cc1nn(C)c(C)c1CN(C)C(=O)c1c([N+](=O)[O-])c(C)nn1C 2776794 GEOTYIXOPZDXEV-UHFFFAOYSA-N 320.353 1.259 5 40 DDBB CCCC[N+](C)(C)CCOC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 103919816 RWVYUOWFWURPRQ-RMEBNNNOSA-N 310.414 1.604 5 40 DDBB C[C@]1(CN)CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C1 262053131 RCUAONAERRYZPI-CQSZACIVSA-N 303.322 1.282 5 40 DDBB Cc1noc(/C=C\c2ccccc2OCC(N)=O)c1[N+](=O)[O-] 13483785 GPSQPXDNILADER-SREVYHEPSA-N 303.274 1.926 5 40 DDBB Cn1ccnc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 76091370 ANHLRJWGPNEDLE-NSHDSACASA-N 302.338 1.410 5 40 DDBB Cc1ccccc1CN1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 106526864 RMIWYKZKMKGBCS-JKSUJKDBSA-N 317.389 1.695 5 40 DDBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)NC(C)(C)C 7206818 JQNUMRDCXWCXFE-MRVPVSSYSA-N 309.322 1.637 5 40 DDBB CC(C)n1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 89894057 MOOXWSMFYGHJRN-UHFFFAOYSA-N 307.314 1.390 5 40 DDBB O=[N+]([O-])c1ccc(OC2CN(C[C@H](O)C(F)(F)F)C2)cc1 189461923 AXONSIUQXMKODG-NSHDSACASA-N 306.240 1.581 5 40 DDBB O=C(NC(=S)NCc1cccnc1)c1ccc([N+](=O)[O-])cc1 226889 SBCPQFXBUXBFBA-UHFFFAOYSA-N 316.342 1.794 5 40 DDBB Cc1nnc(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])s1 2911852 LTFNCRIKYOANON-UHFFFAOYSA-N 308.275 1.705 5 40 DDBB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 101356610 KSFCXQHZDYXHJQ-HMEQZMJYSA-N 314.297 1.818 5 40 DDBB CC(C)(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 71900445 YZOWAODKJHLEQP-NSHDSACASA-N 317.367 1.061 5 40 DDBB NC(=O)[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 39547859 GUGTZDHVDVMBID-ZDUSSCGKSA-N 300.270 1.978 5 40 DDBB Cc1cc2ncn(C[C@@H](O)Cn3cnc([N+](=O)[O-])n3)c2cc1C 95438919 MLUSMUQELSDNGL-LLVKDONJSA-N 316.321 1.214 5 40 DDBB CCOC(=O)c1cc(C(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] 3844889 XKZLICUVBJHUEH-UHFFFAOYSA-N 312.234 1.856 5 40 DDBB biogenic CCOC(=O)[C@H]1CCCN(C(=N)Nc2ncccc2[N+](=O)[O-])C1 253565209 HKUJPYFTRMTPCQ-JTQLQIEISA-N 321.337 1.612 5 40 DDBB O=C1NCCCc2nn(Cc3c(F)cccc3[N+](=O)[O-])cc21 585140388 CSKFAKOXYNNXDG-UHFFFAOYSA-N 304.281 1.655 5 40 DDBB CC(C)N1C[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1=O 32769 KNEGEIBFMLRYOO-SECBINFHSA-N 309.297 1.929 5 40 DDBB Cn1cc([C@@](C)(O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 78869943 DUUAIBKTPHMKPH-AWEZNQCLSA-N 319.321 1.358 5 40 DDBB CO[C@@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2S[C@H]21 104112673 FFIVSOJPUPMSCN-MEWQQHAOSA-N 311.315 1.607 5 40 DDBB CNC(=O)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 25268182 OXUKYORAKKYJLF-UHFFFAOYSA-N 323.352 1.017 5 40 DDBB COC(=O)c1ccccc1/C=C/c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 4413841 KREZSTWBWDRWCT-VOTSOKGWSA-N 317.257 1.341 5 40 DDBB CC(=O)Nc1nc(Cn2cc([N+](=O)[O-])c(C)cc2=O)cs1 89568495 FQBBUICXVNPUKY-UHFFFAOYSA-N 308.319 1.528 5 40 DDBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)O)C1 71979369 JIMJZMQWVJVNRD-NSHDSACASA-N 307.262 1.177 5 40 DDBB CCSC1=NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2711385 XVKIOJIUMGFCCW-UHFFFAOYSA-N 315.376 1.708 5 40 DDBB Cc1nn(C)cc1[C@@H](C)NC(=O)c1nn(C)c(C)c1[N+](=O)[O-] 2781379 GOTWNPDIFAOGSQ-SSDOTTSWSA-N 306.326 1.170 5 40 DDBB O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 45059887 KQKZRSYGBGNFBK-KGLIPLIRSA-N 318.329 1.479 5 40 DDBB CC(C)(C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 65590937 FCHRHWMRJIQQEF-UHFFFAOYSA-N 316.335 1.443 5 40 DDBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCc1ccc(F)cc1 3246978 OADKNQYHZBAGPD-UHFFFAOYSA-N 322.248 1.800 5 40 DDBB CCN1CCO[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 4269501 IBDYZGWSYUTBNP-GFCCVEGCSA-N 307.306 1.171 5 40 DDBB Cn1cnc([N+](=O)[O-])c1N1CCC(c2n[nH]c(C3CC3)n2)CC1 58401330 DRUHRKZGGSRBNO-UHFFFAOYSA-N 317.353 1.708 5 40 DDBB CCn1cnnc1CCNc1nc2sccn2c1[N+](=O)[O-] 78267382 WVAHGFKMALXIBF-UHFFFAOYSA-N 307.339 1.570 5 40 DDBB O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(n2cccn2)CC1 97163710 LUKLOBWZSHDCRO-UHFFFAOYSA-N 316.317 1.974 5 40 DDBB CNc1ncnc2c1N[C@H](NN)c1cc([N+](=O)[O-])ccc1S2 19171932 VWWDZENIGYTKFU-SNVBAGLBSA-N 319.350 1.465 5 40 DDBB O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@@H]1CO 81487622 FKZLIKNROYHYKC-HIFRSBDPSA-N 321.377 1.988 5 40 DDBB COc1cccc2c1OC[C@@H](Nc1c([N+](=O)[O-])ncn1C)C2 69558171 QLBWELXNKXCHGM-JTQLQIEISA-N 304.306 1.753 5 40 DDBB C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 33537702 HJJYEFNLTSOMAR-XQQFMLRXSA-N 310.350 1.444 5 40 DDBB Cn1c(SCC(=O)O)nnc1-c1ccc(F)c([N+](=O)[O-])c1 228978504 MOGFOUQYQKYNEQ-UHFFFAOYSA-N 312.282 1.706 5 40 DDBB C[C@@H]1CCCN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C1 5218636 VJIONZVYLIUJJI-SNVBAGLBSA-N 306.370 1.804 5 40 DDBB C[C@H](CS(C)(=O)=O)N(C)c1nc2ccccn2c1[N+](=O)[O-] 72281932 PMXPCLWGNRCKQD-SECBINFHSA-N 312.351 1.112 5 40 DDBB O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCS(=O)(=O)C1 89780851 LBROUEFCLBYWIW-SNVBAGLBSA-N 313.335 1.294 5 40 DDBB C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Cn1ccnc1 81800781 FZBUONUMCXGAHH-JTQLQIEISA-N 306.297 1.997 5 40 DDBB O=[N+]([O-])c1cnc(N2CCN(CCCO)CC2)c(Cl)c1 96412869 LUXZYFAIQDJPFG-UHFFFAOYSA-N 300.746 1.148 5 40 DDBB C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 14220972 GYBUPFVMQKOAME-GXSJLCMTSA-N 300.336 1.441 5 40 DDBB O=C(NN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 361769 IKXAEWJKYMDOGY-UHFFFAOYSA-N 311.253 1.536 5 40 DDBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1 3383874 PTMJDMDFUDZYPB-GFCCVEGCSA-N 308.290 1.047 5 40 DDBB Cc1ccc(NC(=O)COC(=O)C2CCOCC2)c([N+](=O)[O-])c1 24934680 YBXJEEYXPMFSDO-UHFFFAOYSA-N 322.317 1.812 5 40 DDBB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CS2 23243627 USJKCWFATYEHOX-SMDDNHRTSA-N 321.358 1.987 5 40 DDBB Nc1ccc2nc3c(=O)n(C4CCCCC4)c(=O)[nH]c3nc2c1 100487016 LNFOKLWJIJKLKY-UHFFFAOYSA-N 311.345 1.720 5 40 DDBB Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](N2CCNC2=O)C1 71907725 AIWQYXFYWWYSJH-LLVKDONJSA-N 305.338 1.292 5 40 DDBB CC(C)(C)OC(=O)[C@@H](C(=O)O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1 71603352 FYKKSMQJFKRFLB-NWDGAFQWSA-N 324.333 1.507 5 40 DDBB CS(=O)(=O)C(Cl)(Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1 96519616 OWLKSZYMZYBWJV-MRVPVSSYSA-N 314.146 1.804 5 40 DDBB CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 51535321 YGUYAABUOOKUNU-LLVKDONJSA-N 314.363 1.093 5 40 DDBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1 3383876 PTMJDMDFUDZYPB-LBPRGKRZSA-N 308.290 1.047 5 40 DDBB COc1ccc(C)cc1S(=O)(=O)n1c([N+](=O)[O-])cnc1C 863575 MMLHDTXXJLDKLH-UHFFFAOYSA-N 311.319 1.654 5 40 DDBB Cn1cnc([N+](=O)[O-])c1Sc1nnnn1-c1ccccc1 13146131 QUODPUMWDDZXDG-UHFFFAOYSA-N 303.307 1.455 5 40 DDBB CCN(CCCN(C)C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] 97105118 VLMBVMQGVTVEOH-UHFFFAOYSA-N 319.365 1.381 5 40 DDBB CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C 4608408 NFWBCEBMWWVJIP-SECBINFHSA-N 308.294 1.560 5 40 DDBB CC(C)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 8393920 PWXLNUJZWGGLQS-UHFFFAOYSA-N 301.320 1.811 5 40 DDBB COCCN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 69517122 LMEOQUYMFYMBON-ZDUSSCGKSA-N 321.377 1.601 5 40 DDBB CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cnnc1[S@](C)=O 71899892 XPCXNCXALHTYKZ-JOCHJYFZSA-N 324.362 1.759 5 40 DDBB O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)c1ccccc1 95404075 IKIHOJFLAVWOME-OAHLLOKOSA-N 300.314 1.987 5 40 DDBB C[C@@H]1CN(C[C@@H]2CCCN2c2ncc([N+](=O)[O-])cn2)C[C@@H](C)O1 160496638 GIFDVNLPQKWKKR-UPJWGTAASA-N 321.381 1.463 5 40 DDBB CN(Cc1cnn(C)c1)C(=O)COc1ccc([N+](=O)[O-])cc1 2763167 XIXOXHSBCZNWDM-UHFFFAOYSA-N 304.306 1.366 5 40 DDBB CN(C)C(=O)NCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 95458500 WLPYXGWMNGUXBO-UHFFFAOYSA-N 314.729 1.249 5 40 DDBB COc1c2c(c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 95676337 YFGISZLHPKIVJQ-UHFFFAOYSA-N 301.167 1.191 5 40 DDBB CNC(=O)c1ccc(CN(C)c2ccc([N+](=O)[O-])cn2)cc1 32806474 QXLAAJUEHSGTOO-UHFFFAOYSA-N 300.318 1.986 5 40 DDBB C[C@@H]1CCc2onc(C(=O)NCCn3cc([N+](=O)[O-])cn3)c2C1 2727613 PREJNIVNFOMVFI-SECBINFHSA-N 319.321 1.334 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C1=O 4156693 DUMHJZLKIUUULP-MPZDIEGVSA-N 300.270 1.346 5 40 DDBB C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C1CC1 65491333 IKRVZCJCVFNPDY-SNVBAGLBSA-N 313.379 1.356 5 40 DDBB CN1CCN(CCCN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 97050870 LMWRYRAWVMENBJ-UHFFFAOYSA-N 318.421 1.590 5 40 DDBB COc1ccc(S(=O)(=O)NC2CCCC2)c([N+](=O)[O-])c1 32895359 PIRAAMNGGVFAEY-UHFFFAOYSA-N 300.336 1.824 5 40 DDBB NCCCNc1nc(N)c([N+](=O)[O-])c(Nc2cccc(F)c2)n1 5120277 ZYJKUCBXICPJEM-UHFFFAOYSA-N 321.316 1.610 5 40 DDBB C[C@@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(N)=O 95407757 DHNOZLOGJPSUBB-NSHDSACASA-N 306.366 1.980 5 40 DDBB Cc1c(C(=O)N[C@H](C)CN2CCCC2=O)cccc1[N+](=O)[O-] 55812314 BZAXMVYMAFRERJ-SNVBAGLBSA-N 305.334 1.644 5 40 DDBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCN1CCOCC1 20027319 CDAMHJUPEUBGLH-AATRIKPKSA-N 319.361 1.447 5 40 DDBB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1cc([N+](=O)[O-])cn1 47002494 WVDFOBSNLXXELG-YPMHNXCESA-N 310.354 1.503 5 40 DDBB O=C(O)CN1C(=O)N/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O 408593592 QLBVBCOOYWXDTL-YBRHCDHNSA-N 317.257 1.128 5 40 DDBB Cc1c(CN(C)C[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] 96419666 VWOXMLFWEMQRRM-GFCCVEGCSA-N 312.391 1.770 5 40 DDBB O=C(Oc1ccc(-n2cnnn2)cc1)c1cccc([N+](=O)[O-])c1 411625 OCRQBSIYZSKCJD-UHFFFAOYSA-N 311.257 1.790 5 40 DDBB CCc1ccc([C@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 48222637 JGCBZWSMARHCPF-JTQLQIEISA-N 303.322 1.626 5 40 DDBB COCCCNc1nc(N)c([N+](=O)[O-])c(N2CCCCCC2)n1 5163639 OGDBDHGTXAAHJU-UHFFFAOYSA-N 324.385 1.796 5 40 DDBB Cc1cc(NC(=O)CN2C(=O)CCC2=O)c([N+](=O)[O-])cc1C 5871185 KIEOZFFMLUERGG-UHFFFAOYSA-N 305.290 1.299 5 40 DDBB COC[C@@H](C)NC(=O)CN1CCCc2c1cccc2[N+](=O)[O-] 94005742 SLCUWRBYBPNXQO-LLVKDONJSA-N 307.350 1.499 5 40 DDBB COc1ccc(CSCc2nc(N)nc(N)n2)cc1[N+](=O)[O-] 89466078 ONWZTKLNSNUBRI-UHFFFAOYSA-N 322.350 1.386 5 40 DDBB CC(C)(C)OC(=O)[C@@H](C(=O)O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1 71603348 FYKKSMQJFKRFLB-VXGBXAGGSA-N 324.333 1.507 5 40 DDBB CCOC(=O)C1=NN(c2cc([N+](=O)[O-])ccc2C)[C@H](C(=O)O)C1 71979305 OEUOJSVTZBBBPN-LBPRGKRZSA-N 321.289 1.486 5 40 DDBB COc1ccc(C2=CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 53772714 GFSKTBRKEWFLHZ-CABCVRRESA-N 302.330 1.976 5 40 DDBB CCn1c(=O)[nH]c(=O)c2c(-c3cccc([N+](=O)[O-])c3)ccnc21 10157257 PFYUIVAJDWEZKG-UHFFFAOYSA-N 312.285 1.680 5 40 DDBB O=C([C@H]1CCCN1c1ncccc1[N+](=O)[O-])N1CCSCC1 72281916 VVJCUUBXJGFRKU-GFCCVEGCSA-N 322.390 1.534 5 40 DDBB O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccco1 25166987 JCADJGDPQQIZIW-UHFFFAOYSA-N 318.289 1.626 5 40 DDBB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 225603515 JMXOQCQHCGXZBB-NOOOWODRSA-N 304.258 1.188 5 40 DDBB CCc1[nH]nc(NC(=O)c2c([N+](=O)[O-])c(C)nn2CC)c1C 195562172 NKEJGSLWWJWVJI-UHFFFAOYSA-N 306.326 1.966 5 40 DDBB Cc1cc(S(=O)(=O)N[C@@H](CN)CC(C)C)ccc1[N+](=O)[O-] 96483360 AVUMKJNKELKDQV-LLVKDONJSA-N 315.395 1.555 5 40 DDBB Cc1cc(NC(=O)CNC[C@@H]2CCCO2)c([N+](=O)[O-])cc1C 6607647 JHHDVVIISOFDPE-LBPRGKRZSA-N 307.350 1.919 5 40 DDBB CN1C(=O)[C@@H]([C@@H]2OC(=O)c3ccccc32)S/C1=C\[N+](=O)[O-] 1399919 CUHQSXKQBFQMNR-GOLMWGNGSA-N 306.299 1.548 5 40 DDBB CC(C)NC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl 6085103 RUKPBSTUDFWWRR-UHFFFAOYSA-N 315.713 1.861 5 40 DDBB N[C@@H]1N=C(O)C2(COC(c3ccc([N+](=O)[O-])cc3)OC2)S1 35183043 AUJMXGIWBKWPHU-CKBZRRDASA-N 311.319 1.325 5 40 DDBB CCC(N)(CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 225479392 SSXWVCZHMBVFQL-UHFFFAOYSA-N 315.395 1.699 5 40 DDBB O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCCO2)c1 44842991 JJDHKUIQQLSHJM-GFCCVEGCSA-N 300.336 1.193 5 40 DDBB COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1cccc(OC)c1 6259164 KMFSAWUKRNPMKG-NSHDSACASA-N 311.290 1.018 5 40 DDBB CCn1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 20602135 LYVOPAUUYWQLQW-UHFFFAOYSA-N 324.362 1.632 5 40 DDBB Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC(C)(C)NC(C)(C)C1 2780274 VGPGWPOBDOOVAH-UHFFFAOYSA-N 309.370 1.367 5 40 DDBB O=C(NCCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])o1 24380562 STFPJIRABLXRAS-UHFFFAOYSA-N 304.258 1.889 5 40 DDBB Cc1cc(NC(=O)Cn2ccnn2)c2cc([N+](=O)[O-])ccc2n1 97142412 MFEOVNBYHACTHQ-UHFFFAOYSA-N 312.289 1.682 5 40 DDBB Cc1cc([N+](=O)[O-])cnc1NCCc1nnc2n1CCCC2 96011420 QHTKRMLCTQONHW-UHFFFAOYSA-N 302.338 1.881 5 40 DDBB Cc1ccc(NC(=O)CSc2nccc(=O)[nH]2)c([N+](=O)[O-])c1 9443217 PCXSLLIVWMBDIL-UHFFFAOYSA-N 320.330 1.717 5 40 DDBB COc1cc(CCNC(=O)NC(C)C)c([N+](=O)[O-])cc1OC 32862557 LWECZRRVQILIPB-UHFFFAOYSA-N 311.338 1.862 5 40 DDBB COc1ccc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(OC)c1 30843429 KHEPPHVVSRQYAA-XQRVVYSFSA-N 319.273 1.159 5 40 DDBB O=c1/c(=C/c2ccc([N+](=O)[O-])o2)sc2nc3ccccc3n12 111131 KVEQRHSXUQHEEK-XFFZJAGNSA-N 313.294 1.958 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])c1)NCCSc1ccccc1 12535535 VKZAFQWBIFFVIH-UHFFFAOYSA-N 306.347 1.700 5 40 DDBB COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cnn(C)c1 24475834 DWTIGVJKYOVTNX-UHFFFAOYSA-N 304.306 1.609 5 40 DDBB O=[N+]([O-])c1cccnc1Nc1cnn(CCN2CCOCC2)c1 69533288 LHZSQSZILORPID-UHFFFAOYSA-N 318.337 1.262 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc2ncccc12 31672442 FKDBPCKBJCSDBZ-UHFFFAOYSA-N 324.296 1.943 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(C)=O)CC1 48311975 LTCOOAABCAPPDH-UHFFFAOYSA-N 322.321 1.299 5 40 DDBB Cn1nnc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 14258556 AQUGCLRTNCHQQT-UHFFFAOYSA-N 314.261 1.631 5 40 DDBB CC(C)OCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 25603108 JQLMQIWRWTXGIH-HNNXBMFYSA-N 321.333 1.787 5 40 DDBB COc1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])ccc1N1CCCC1=O 58424349 LCWDAVJEVJXZMP-PWSUYJOCSA-N 319.317 1.426 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C)C2)n1 4306020 JITIQZLHWUPYKJ-UWVGGRQHSA-N 324.385 1.508 5 40 DDBB Nc1nc(NCCO)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] 4306351 QSQAUEGZPOLTGV-UHFFFAOYSA-N 308.273 1.254 5 40 DDBB O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC1CCC(O)CC1 69045129 KPLOCBSABPYDIN-UHFFFAOYSA-N 323.349 1.576 5 40 DDBB CCCCCNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N 8203719 VUNCOGZPKUGHHG-UHFFFAOYSA-N 309.322 1.640 5 40 DDBB O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 55452785 CBCWMCXOKZMPJX-KGLIPLIRSA-N 322.336 1.655 5 40 DDBB CC(=O)Nc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)cc1 419179 XJHLAJQWLGEHPF-UHFFFAOYSA-N 303.278 1.388 5 40 DDBB CCN(Cc1nonc1C)C(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 2785930 DYYCTPBCJUYUBL-SECBINFHSA-N 308.298 1.092 5 40 DDBB CCOCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 42136484 VKYSMVXXGWNCSV-AWEZNQCLSA-N 307.306 1.398 5 40 DDBB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 12402547 FRGLHYCBNUERGJ-BHTHQVBYSA-N 314.297 1.818 5 40 DDBB O=C(CSc1nc(=O)cc[nH]1)Nc1ccc([N+](=O)[O-])cc1O 106381804 GWXWUEHSMOCYPK-UHFFFAOYSA-N 322.302 1.115 5 40 DDBB Cc1cc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])n(Cc2ccccc2)n1 44471091 FPYPCVXRXJFOAM-STQMWFEESA-N 300.318 1.844 5 40 DDBB COc1cc(NC(=O)COC(=O)C2CC2)c(C)cc1[N+](=O)[O-] 5117756 BVRWIPCLHNRZPL-UHFFFAOYSA-N 308.290 1.804 5 40 DDBB CCN1c2ccc([N+](=O)[O-])cc2CC(C(=O)O)(C(=O)O)[C@H]1C 5269869 ORHJVZANKSCEIV-MRVPVSSYSA-N 308.290 1.521 5 40 DDBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC(=O)NC1 72062970 BJGDYHAWSOUAPP-ZJUUUORDSA-N 323.374 1.470 5 40 DDBB CC(=O)NCCNc1c(Br)cncc1[N+](=O)[O-] 95980543 LKZHZTKHRSJEGB-UHFFFAOYSA-N 303.116 1.300 5 40 DDBB Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(CC2CCCC2)C1 96487659 SGIIFMBLUPCHEN-LBPRGKRZSA-N 321.381 1.323 5 40 DDBB O=c1[nH]c2c(c(O)c1[N+](=O)[O-])CN(Cc1ccccc1)CC2 95097363 TXTGTOFVEWJBDY-UHFFFAOYSA-N 301.302 1.547 5 40 DDBB Cc1ccc(NC(=O)c2c(C(=O)O)cnn2C)cc1[N+](=O)[O-] 20614741 ZZRYXMXTOBCBSN-UHFFFAOYSA-N 304.262 1.587 5 40 DDBB O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCCC1 8756158 DPHYSROXSOJDMW-UHFFFAOYSA-N 301.306 1.802 5 40 DDBB C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1cc([N+](=O)[O-])cn1 47002500 WVDFOBSNLXXELG-WCQYABFASA-N 310.354 1.503 5 40 DDBB COc1cc([C@H]2CC(=O)Nc3ncnn32)c([N+](=O)[O-])cc1OC 6169935 VKCIXRLVFXGHMA-MRVPVSSYSA-N 319.277 1.135 5 40 DDBB C[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 101136482 WGQIDENZQJCDIA-OHTBPHCPSA-N 300.270 1.428 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@@H]([C@@H]2CCOC2)N2CCCC2)nc1 48301254 NIVMVRMPASJWCZ-OCCSQVGLSA-N 306.366 1.903 5 40 DDBB CNS(=O)(=O)c1cc(Nc2ncccc2[N+](=O)[O-])ccc1C 7187729 VZEJGOZIYJSBIP-UHFFFAOYSA-N 322.346 1.950 5 40 DDBB CCOc1ccc(Nc2nc3nnnn3c(C)c2[N+](=O)[O-])cc1 32099723 RZEWYJSGPPOEGJ-UHFFFAOYSA-N 315.293 1.878 5 40 DDBB CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCS(=O)(=O)C1 195572794 IUAYADCWYWPFSO-JTQLQIEISA-N 318.782 1.867 5 40 DDBB Nc1nc(N2CCOC[C@H]2c2ccccc2)ncc1[N+](=O)[O-] 96453877 CZQIPJIALILUBI-LBPRGKRZSA-N 301.306 1.545 5 40 DDBB Cc1cc(=O)n(C[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] 123379188 GKDXQTXPEZJIJN-AWEZNQCLSA-N 318.329 1.643 5 40 DDBB CCN(Cc1nonc1C)C(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 2785931 DYYCTPBCJUYUBL-VIFPVBQESA-N 308.298 1.092 5 40 DDBB COC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 1332910 BMHBVJSDFMUTOJ-UHFFFAOYSA-N 308.319 1.655 5 40 DDBB C[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 100174590 WGQIDENZQJCDIA-YFCNSXCBSA-N 300.270 1.428 5 40 DDBB Cc1cc(N[C@@H]2CCCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] 58370204 KEPJPAUUHYLSNQ-GFCCVEGCSA-N 313.379 1.739 5 40 DDBB O=C(c1ccoc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 72288658 CCUFSCUEDOLZSQ-LLVKDONJSA-N 302.290 1.909 5 40 DDBB O=C(CCn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccc(F)cc1 89690392 NRAZYSUVRZQINO-UHFFFAOYSA-N 319.292 1.602 5 40 DDBB CCc1c(C)[nH][n+]2cnn(Cc3ccccc3[N+](=O)[O-])c2c1=O 408722417 UAIAMFILIBSJBV-UHFFFAOYSA-O 314.325 1.137 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)NC2C[C@@H]3CC[C@H](C2)N3)cc1 40740939 NKTWHAPHEMRABP-ZACCUICWSA-N 311.363 1.156 5 40 DDBB COC(=O)[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)CN1 19735867 WTQAJTXGFCGIAG-WPRPVWTQSA-N 300.698 1.531 5 40 DDBB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc1[N+](=O)[O-] 19989205 IHBFUADXWUOHQX-LLVKDONJSA-N 316.335 1.291 5 40 DDBB CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 40525428 MBYCQZYAVZAOMS-SNVBAGLBSA-N 308.338 1.939 5 40 DDBB COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)[N@@+](C)([O-])CC[C@]314 247915557 BDLSDHWCOJPHIE-KFUGMXNISA-N 315.369 1.514 5 40 DDBB in-man COC(=O)c1cc([N+](=O)[O-])c(N2CCN(C)CC2)c([N+](=O)[O-])c1 5850870 FVLNCUMDPLIWKJ-UHFFFAOYSA-N 324.293 1.041 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccco1 10327970 VHSOSURPZZCDPP-UHFFFAOYSA-N 303.274 1.751 5 40 DDBB COC(=O)c1cccc([N+](=O)[O-])c1CN1CCC[C@@H](C(N)=O)C1 52518723 BERHYLKIUWZPFC-SNVBAGLBSA-N 321.333 1.079 5 40 DDBB O=c1ccc([N+](=O)[O-])cn1Cc1noc(-c2ccc(F)cc2)n1 12985478 FUYZUNFQBOOPKL-UHFFFAOYSA-N 316.248 1.994 5 40 DDBB COc1ccc([C@@H]2SCCN2S(C)(=O)=O)cc1[N+](=O)[O-] 5023959 ZIIMBCURSPYCJO-NSHDSACASA-N 318.376 1.610 5 40 DDBB C[C@H](NC[C@@](C)(O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 95968510 IBHQSIZREZGRMY-XJKSGUPXSA-N 323.393 1.329 5 40 DDBB CN(CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2n1C 89749690 CCAUZGSJGWFUHE-UHFFFAOYSA-N 314.349 1.810 5 40 DDBB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c([N+](=O)[O-])c2)C1 45952975 LKOMBFXKXJKDCN-SECBINFHSA-N 308.290 1.519 5 40 DDBB O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)c1ccccc1 95404076 IKIHOJFLAVWOME-HNNXBMFYSA-N 300.314 1.987 5 40 DDBB CCn1ncc([N+](=O)[O-])c1C(=O)N(C)Cc1c(C)nn(C)c1C 2777978 JMVHNXWQZIXACN-UHFFFAOYSA-N 320.353 1.434 5 40 DDBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100179175 RCIPQFMRNBPBRC-UKJIMTQDSA-N 316.269 1.046 5 40 DDBB COc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 47521281 KJKYPDYLPDTRRM-UHFFFAOYSA-N 309.303 1.799 5 40 DDBB C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 14220837 JMIKSBBXZQEPBL-CABZTGNLSA-N 300.336 1.441 5 40 DDBB CO[C@H]1CCCC[C@@H]1OC(=O)CCn1cc([N+](=O)[O-])nc1C 84271904 SQAIXOLLVUGVMV-RYUDHWBXSA-N 311.338 1.991 5 40 DDBB Cc1cc(S(=O)(=O)NC[C@@H]2CCCO2)cc([N+](=O)[O-])c1C 7616250 DWNQWGVOBJGTLX-NSHDSACASA-N 314.363 1.669 5 40 DDBB O=[N+]([O-])c1ccc(N2CCN(CN3CCOC3=S)CC2)cc1 12645510 BCTAWGXMFWSVKA-UHFFFAOYSA-N 322.390 1.291 5 40 DDBB O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(CN2CCCC2)CC1 84613339 NNRJXBBXQUEIAX-UHFFFAOYSA-N 321.381 1.126 5 40 DDBB Cn1cc(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2=O)cn1 98018840 DLGXJVVXFQDCLL-UHFFFAOYSA-N 321.362 1.239 5 40 DDBB Cc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)c(N(C)C)c1 84928111 IGJHBMASWXLPKC-UHFFFAOYSA-N 302.338 1.954 5 40 DDBB O=C(Cn1nc2ccccn2c1=O)Nc1ccccc1[N+](=O)[O-] 193072239 GLISXNWFYJKUJK-UHFFFAOYSA-N 313.273 1.043 5 40 DDBB O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@](O)(C(F)(F)F)C1 78026244 VLDNILWXDQRKOK-LBPRGKRZSA-N 318.251 1.663 5 40 DDBB CC1CCN([C@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)CC1 4653670 FSGVAJOJCPNDMV-AWEZNQCLSA-N 317.345 1.959 5 40 DDBB COc1ccc2c(c1)C[C@@H](NCCn1cc([N+](=O)[O-])cn1)CC2 90539353 ZDHKIUOUUMWEBM-AWEZNQCLSA-N 316.361 1.947 5 40 DDBB COCCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O 409148318 YJQQKNBHOCWQAI-JXMROGBWSA-N 324.314 1.983 5 40 DDBB CCOC(=O)c1cn(CC)c2cc(N)c([N+](=O)[O-])cc2c1=O 72433958 LNDCIRNEOHKCSW-UHFFFAOYSA-N 305.290 1.689 5 40 DDBB CN1CCN(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 42543756 USSNHBHEUIGJEG-UHFFFAOYSA-N 320.393 1.351 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100184745 DUMHJZLKIUUULP-ZDEQEGDKSA-N 300.270 1.346 5 40 DDBB CN(Cc1ccc(C(N)=O)cc1)C(=O)c1cccc([N+](=O)[O-])c1 13013223 ZGCDPNYLPVWPIG-UHFFFAOYSA-N 313.313 1.966 5 40 DDBB NC(=O)C1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 6923063 HSSXILKHEQVLEP-UHFFFAOYSA-N 300.318 1.845 5 40 DDBB CC(=O)c1cc(NCC(=O)NCC(F)(F)F)ccc1[N+](=O)[O-] 225818587 UGOCSFSPBSZECP-UHFFFAOYSA-N 319.239 1.888 5 40 DDBB CC(=O)N1N=C(N(C(C)=O)c2ccc([N+](=O)[O-])cc2)CC1=O 16139027 POGQQSFZKWPBCV-UHFFFAOYSA-N 304.262 1.040 5 40 DDBB C[C@@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 169616396 FRGLHYCBNUERGJ-VZAMPYOESA-N 314.297 1.818 5 40 DDBB O=[N+]([O-])c1cccnc1NC[C@H]([C@H]1CCOC1)N1CCOCC1 25067434 OAXSLFXQPPWCGU-GXTWGEPZSA-N 322.365 1.139 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@H](C)C2)n1 5156787 DLDXRJVETJAQAE-VIFPVBQESA-N 310.358 1.262 5 40 DDBB O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NC1=NCCS1 65711961 CRMJSJIGJXGIME-UHFFFAOYSA-N 304.331 1.769 5 40 DDBB C[C@H]1CN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 26781535 SUTKLJLHGLPXCR-SCRDCRAPSA-N 310.350 1.444 5 40 DDBB O=C1NC(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)N1 5426655 LWBADJJISIISPF-CLTKARDFSA-N 312.079 1.538 5 40 DDBB O=c1[nH]cnc2nc(SCc3ccccc3[N+](=O)[O-])[nH]c12 8627622 HQUHDIFSNQTVTO-UHFFFAOYSA-N 303.303 1.847 5 40 DDBB O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(CC3)c3ccccc32)c1 72667299 UXBFFWHBOIYIHS-ZDUSSCGKSA-N 314.345 1.704 5 40 DDBB C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 57720200 GOGYCYZMAWPRFE-LLVKDONJSA-N 307.350 1.573 5 40 DDBB C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 14220966 GYBUPFVMQKOAME-KOLCDFICSA-N 300.336 1.441 5 40 DDBB COCCNC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3504924 XXXFEZZSWRQYFY-UHFFFAOYSA-N 316.697 1.168 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1-n1ccc2c(cnc3ncnn32)c1=O 19960573 ZUFOEKBDZWTGSJ-UHFFFAOYSA-N 322.284 1.645 5 40 DDBB O=C(OCCn1cnc([N+](=O)[O-])n1)c1cccc2cc[nH]c12 79014829 HWGMSCXTMQRGNB-UHFFFAOYSA-N 301.262 1.525 5 40 DDBB C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1C[C@@H](C)O[C@H](C)C1 47638453 KLRMITJZOLXIFO-HBNTYKKESA-N 311.338 1.415 5 40 DDBB CCN1CCC[C@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 69413794 APGICYBANSHEPF-NSHDSACASA-N 317.349 1.685 5 40 DDBB Nc1ccnc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 95993380 WHLUWCHBUAJCIW-UHFFFAOYSA-N 321.724 1.479 5 40 DDBB O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)NC[C@H]1CCCO1 89807676 SAZQTQNTCDQESU-OAHLLOKOSA-N 319.361 1.248 5 40 DDBB Cc1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cc([N+](=O)[O-])c1 194009346 STZIZBXWEOBCBC-CHWSQXEVSA-N 321.377 1.430 5 40 DDBB COc1ccc(Cc2noc([C@H]3C[C@@H]3[N+](=O)[O-])n2)cc1OC 96405295 ZTOPKNJUUAMGFO-UWVGGRQHSA-N 305.290 1.810 5 40 DDBB O=C1NC(=S)N/C1=C\c1coc2ccc([N+](=O)[O-])cc2c1=O 101192930 LFBYYJKCQCBWRD-OQFOIZHKSA-N 317.282 1.046 5 40 DDBB CN1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 379454 NVRLKSUEECFISB-UHFFFAOYSA-N 312.757 1.434 5 40 DDBB CC[C@H](C)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 4563936 DQECTPNDJKLPOV-VIFPVBQESA-N 304.306 1.219 5 40 DDBB C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 69061931 JMNBRPFGUIUVEQ-RISCZKNCSA-N 323.349 1.840 5 40 DDBB CCOC(=O)c1nnsc1NC(=O)c1ccc([N+](=O)[O-])cc1 4476224 PMBZNCLCTIOYDB-UHFFFAOYSA-N 322.302 1.875 5 40 DDBB NC(=O)[C@H](CNc1ccc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 69738704 NIHHYTSSMPSLBZ-NSHDSACASA-N 318.308 1.885 5 40 DDBB CC(=O)N[C@@H](C(=O)N(C)Cc1cccc([N+](=O)[O-])c1)C(C)C 24947472 GNQXSADBHWOFLC-CQSZACIVSA-N 307.350 1.714 5 40 DDBB Cn1cc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cn1 88794835 UENMVGMNUIWWKG-UHFFFAOYSA-N 322.346 1.075 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1C(=O)CCC1=O 72283369 YZDDWFDIAWYTDK-UHFFFAOYSA-N 320.305 1.174 5 40 DDBB COc1cc([C@H]2N[C@@H](C(=O)O)CS2)cc([N+](=O)[O-])c1O 70079 HWYBYFLJBWEJRU-LDWIPMOCSA-N 300.292 1.097 5 40 DDBB C[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)N1CCOCC1 33081288 CBWGLRNXYAGECH-GFUIURDCSA-N 319.361 1.445 5 40 DDBB CCN1CCC[C@H](NP2(=O)OCC(C)([N+](=O)[O-])CO2)C1 1702935 CSVZWLZAFRSSBT-UHVLBDPFSA-N 307.287 1.251 5 40 DDBB CCn1ncc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(N)=O 2796364 MZZIIFPXLPWVHW-UHFFFAOYSA-N 303.278 1.162 5 40 DDBB Cc1cc(NC(=O)NCCCn2ccnn2)ccc1[N+](=O)[O-] 97163032 ITOOVYBBHAWFGI-UHFFFAOYSA-N 304.310 1.707 5 40 DDBB O=C(C1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCOCC1 23640649 UESYIVFERYOYAA-UHFFFAOYSA-N 320.349 1.065 5 40 DDBB COCCOC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 58245945 DWANRTXNIUQDPD-UHFFFAOYSA-N 305.290 1.799 5 40 DDBB O=C(OCc1ccccn1)c1cc([N+](=O)[O-])ccc1NCCO 36725300 MYIJTTJRLGICAO-UHFFFAOYSA-N 317.301 1.751 5 40 DDBB NC(=O)c1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])nc1 65477199 WOWJDBLHHGYIAU-UHFFFAOYSA-N 300.274 1.019 5 40 DDBB O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cc([N+](=O)[O-])ccc1F 408658732 KGFQYWYIUXRREI-ABBXOWKQSA-N 320.276 1.870 5 40 DDBB COC(=O)/C=C/c1ccc(-n2cnc([N+](=O)[O-])n2)c([N+](=O)[O-])c1 72310935 MUEDKCFUNDYJNR-HWKANZROSA-N 319.233 1.270 5 40 DDBB COC(=O)C1=C(NC(=O)c2cccc([N+](=O)[O-])c2)CCS1 4072225 ORIACRULQQPHGO-UHFFFAOYSA-N 308.315 1.846 5 40 DDBB O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)ccc1F 52003516 OSDRNIQXFWHVJH-JQWIXIFHSA-N 318.326 1.316 5 40 DDBB Nc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] 47923743 FWVLHTSTQJHCTN-OCCSQVGLSA-N 305.334 1.961 5 40 DDBB CC(=O)Nc1nnc(CCCn2c([N+](=O)[O-])cnc2C)s1 10336195 AXCOVQBIEIQUGI-UHFFFAOYSA-N 310.339 1.542 5 40 DDBB Cc1nn(C)c(N2CCN(Cc3ccco3)CC2)c1[N+](=O)[O-] 47331081 LZACESXNAZWUJC-UHFFFAOYSA-N 305.338 1.552 5 40 DDBB CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 103153368 FIXTUAOSRKQJMZ-UHFFFAOYSA-N 309.141 1.656 5 40 DDBB COc1cc(C(=O)NCCCN(C)C)c([N+](=O)[O-])cc1OC 2253163 JMPLNUGVZZSJKU-UHFFFAOYSA-N 311.338 1.294 5 40 DDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)OC[C@@H]1C 46033685 DCRYJYNARQRYIX-QWRGUYRKSA-N 314.363 1.701 5 40 DDBB CN1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 65605952 LWILYMJNXDBVQH-UHFFFAOYSA-N 319.770 1.184 5 40 DDBB CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 97097832 DNNGPTGDVPUIIW-RISCZKNCSA-N 319.361 1.857 5 40 DDBB CCS(=O)(=O)c1ccc(N2CCN[C@@H](C)C2)c([N+](=O)[O-])c1 15443737 DXHMBVIBWPKMRR-JTQLQIEISA-N 313.379 1.187 5 40 DDBB COc1ccc(C(=O)OCC(=O)N2CCCCC2)cc1[N+](=O)[O-] 3238481 ZYINGGGJAYNCGZ-UHFFFAOYSA-N 322.317 1.773 5 40 DDBB Cc1ccc(NC(=O)C(=O)NCc2ccncc2)c([N+](=O)[O-])c1 10327489 HXMMMWLQYUWCNG-UHFFFAOYSA-N 314.301 1.553 5 40 DDBB COC(=O)[C@H]1CCCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 12768297 MUHAOMAJEREGOC-LLVKDONJSA-N 322.317 1.771 5 40 DDBB O=[N+]([O-])c1ccc2nc(N[C@H]3CCS(=O)(=O)C3)sc2c1 66451152 HZDBKCDRSPHESA-ZETCQYMHSA-N 313.360 1.804 5 40 DDBB CN(CC(F)F)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 97081294 IZRCESPYCZKNQM-NSHDSACASA-N 313.260 1.811 5 40 DDBB C[S@](=O)CCNc1ncc(Br)cc1[N+](=O)[O-] 95416537 DHHGXFWMEPMMQN-MRXNPFEDSA-N 308.157 1.543 5 40 DDBB O=[N+]([O-])c1cnn(CCSc2nc(-c3cccnc3)n[nH]2)c1 74783331 LQYNWIZWNKDOTA-UHFFFAOYSA-N 317.334 1.764 5 40 DDBB CCOC(=O)c1cc(C(=O)N2CCO[C@H](C)C2)cc([N+](=O)[O-])c1 8851934 MCJZLDHBXHHZPT-SNVBAGLBSA-N 322.317 1.632 5 40 DDBB O=[N+]([O-])c1c(NCCc2nncn2C2CC2)nc2sccn12 72293782 DUPGGYPIOPOSSA-UHFFFAOYSA-N 319.350 1.885 5 40 DDBB CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C)n[nH]1 96446833 GULYHWPNIWHGGS-LBPRGKRZSA-N 303.322 1.831 5 40 DDBB Cc1ccnc(N2CCC(n3c(C)nnc3N)CC2)c1[N+](=O)[O-] 585141628 DPFVJHLRNPMGJZ-UHFFFAOYSA-N 317.353 1.622 5 40 DDBB O=[N+]([O-])c1cnc(N2CCC[C@@H]2CO)c(Br)c1 75094271 BKQKEWBNQUDJAP-SSDOTTSWSA-N 302.128 1.713 5 40 DDBB C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C(=O)O)O1 95991967 LJXOKNBGSIVUCQ-GHHAPQSHSA-N 320.301 1.309 5 40 DDBB Cc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1[N+](=O)[O-] 5646513 QLRCWWULWSUSPW-UHFFFAOYSA-N 324.362 1.468 5 40 DDBB O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 100176060 WDHWVBYYVWBZGG-BJDJZHNGSA-N 320.688 1.691 5 40 DDBB O=C(Oc1cccc(-n2cnnn2)c1)c1cccc([N+](=O)[O-])c1 251107 VKHALTQJTPAKPR-UHFFFAOYSA-N 311.257 1.790 5 40 DDBB CN(Cc1cccs1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 7981936 AGHXAMONJNDKIP-UHFFFAOYSA-N 307.331 1.477 5 40 DDBB CCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 350075444 KFTZXHNFHGMOHS-CQSZACIVSA-N 312.391 1.994 5 40 DDBB COCCN(Cc1ccccn1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] 69845179 QAZNPZDNSHSJHS-UHFFFAOYSA-N 319.321 1.310 5 40 DDBB NC(=O)c1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 12599347 ACRLDXXAOOPALL-UHFFFAOYSA-N 315.285 1.711 5 40 DDBB CCCCN(C)S(=O)(=O)NCc1ccccc1[N+](=O)[O-] 49239707 FACIDQJLWDONOD-UHFFFAOYSA-N 301.368 1.661 5 40 DDBB CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)O[C@H](C)C2)n1 4306247 XGVDUGULJHGURI-NXEZZACHSA-N 324.385 1.427 5 40 DDBB C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)O1 5638073 VKZDKKDSFCEERV-UWVGGRQHSA-N 314.363 1.612 5 40 DDBB Cc1c(CC(=O)N2[C@@H](C)CN(C)C[C@H]2C)cccc1[N+](=O)[O-] 155176116 NNIXREODFAJZMK-TXEJJXNPSA-N 305.378 1.997 5 40 DDBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 4950331 CENOPJKNNWPORV-VIFPVBQESA-N 320.754 1.706 5 40 DDBB O=[N+]([O-])c1ccc([C@@H]2NS(=O)(=O)N=C3CCCCCN32)cc1 2642038 HFAFFKANHPJHCW-CYBMUJFWSA-N 324.362 1.716 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc([N+](=O)[O-])cc1 1797808 SUOFRVXYTWIPIL-UHFFFAOYSA-N 320.261 1.865 5 40 DDBB COC(=O)[C@H](C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 12856413 ACQYYRCCBQUDRD-ZETCQYMHSA-N 311.246 1.084 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1C(=O)O 27529729 YFDJEILXTCHWQA-UHFFFAOYSA-N 319.273 1.655 5 40 DDBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@](C)(C(=O)O)C1 71979527 DQPMQWVAIMDGQO-CQSZACIVSA-N 321.289 1.567 5 40 DDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCOCC1(C)C 40556370 VIKCVJNFIZQODU-UHFFFAOYSA-N 314.363 1.703 5 40 DDBB COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](C)(C)C2 265549 FESJTOGKKMDYHG-YEWWUXTCSA-N 302.394 1.995 5 40 DDBB biogenic CCOC(=O)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 48310053 HWWIPPHFUFVNBE-SECBINFHSA-N 316.335 1.133 5 40 DDBB CCCCn1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 18201402 GELRQTXXSGIEGJ-UHFFFAOYSA-N 320.309 1.642 5 40 DDBB CC(C)CCNc1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1 5164578 KJJRIOJLYWJDNV-UHFFFAOYSA-N 310.358 1.262 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc([N+](=O)[O-])c1 4457437 SVPDMJYBLINQEZ-UHFFFAOYSA-N 303.234 1.741 5 40 DDBB CC(C)(C)OC(=O)[C@H](C(=O)O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1 71603346 FYKKSMQJFKRFLB-NEPJUHHUSA-N 324.333 1.507 5 40 DDBB C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 70173609 ULXDDFPSOYJUID-WDEREUQCSA-N 313.379 1.343 5 40 DDBB Nc1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 6971671 CDFUEYWLYGZUAV-UHFFFAOYSA-N 315.285 1.973 5 40 DDBB C[C@@H]1CCCN([C@@]2(O)C(=O)N(C)c3ccc([N+](=O)[O-])cc32)C1 15016992 QCRYIEAIXFKWNH-BMIGLBTASA-N 305.334 1.448 5 40 DDBB COc1cc(CN2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC(F)F 69873954 UTWJHLLXTGODPX-VIFPVBQESA-N 318.276 1.771 5 40 DDBB CC(C)NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 409055595 ZRKVOJMYUBZWDS-UHFFFAOYSA-N 319.361 1.972 5 40 DDBB CS(=O)(=O)C(Cl)(Cl)C(=O)c1ccc([N+](=O)[O-])cc1 96518105 GZRAKXPEGIRLCQ-UHFFFAOYSA-N 312.130 1.954 5 40 DDBB CC[N+](C)(CC)C[C@@H](O)COC[C@H]1COc2ccccc2O1 5447151 SZEZZCJEWYJFKE-CABCVRRESA-N 310.414 1.690 5 40 DDBB Cc1c(NC(=O)CN2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-] 3433673 RURRHWMAWPABGJ-UHFFFAOYSA-N 320.349 1.039 5 40 DDBB Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 6082829 AATDLGAVUDXKNT-ZDUSSCGKSA-N 312.347 1.210 5 40 DDBB CN(C)C(=O)[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 8703851 HLEJPVVNYYNCAR-LBPRGKRZSA-N 306.322 1.679 5 40 DDBB CC(C)(C)[C@@H](CO)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] 97237215 SWUTVCWZQJLNFE-SECBINFHSA-N 306.322 1.422 5 40 DDBB CC(=O)c1ccc(NC[C@@](C)(O)c2cnn(C)c2)c([N+](=O)[O-])c1 72294830 VXLYDRLGBYFYAL-OAHLLOKOSA-N 318.333 1.851 5 40 DDBB CN(C)CCNC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] 67192386 OGLZKWNJGIVSNW-UHFFFAOYSA-N 301.730 1.305 5 40 DDBB C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CN 70177400 BFYINUYYZXGTKR-GXFFZTMASA-N 313.379 1.343 5 40 DDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(Cn2ccnn2)CC1 89781034 SOHGROVTOWUPEI-UHFFFAOYSA-N 315.333 1.739 5 40 DDBB C[C@@H]1CCCN(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)C1 5722050 BDZUOUBAFKZMKB-SNVBAGLBSA-N 300.336 1.950 5 40 DDBB COC(=O)C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC1 4653653 QMHCVEVRRBKFQI-CYBMUJFWSA-N 321.333 1.561 5 40 DDBB CN1CCN(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 4746338 GHTAQAKQABMGFL-UHFFFAOYSA-N 318.421 1.807 5 40 DDBB CCc1c(C)nn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O 18191524 DNRYFSCEQKNPHL-UHFFFAOYSA-N 311.319 1.605 5 40 DDBB COCCN1CC[C@H](NC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 89365324 PECXWRJBLLSZGI-LBPRGKRZSA-N 322.365 1.461 5 40 DDBB Nc1nc(N2CC[C@H](OCc3ccccn3)C2)ncc1[N+](=O)[O-] 89883769 SPJWOLOAKLRYBV-NSHDSACASA-N 316.321 1.158 5 40 DDBB COC(=O)c1cc(OC(=O)c2ccccc2[N+](=O)[O-])nn1C 408563709 WTHUPTWCYQGNPP-UHFFFAOYSA-N 305.246 1.334 5 40 DDBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1ccccc1=O 32824828 ORSNEGYPYPWRNU-UHFFFAOYSA-N 301.302 1.415 5 40 DDBB CCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nncn1N 70462428 FGDTXCBGRILFID-UHFFFAOYSA-N 323.334 1.618 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(C)n1N 70462409 MTRIVGAPALSLAZ-UHFFFAOYSA-N 309.307 1.146 5 40 DDBB CCOC(=O)N[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 48333750 AFRICNPCGFDLKI-LBPRGKRZSA-N 321.333 1.946 5 40 DDBB O=[N+]([O-])c1cc(CSc2nnc(Cn3cncn3)o2)cs1 96455683 RAQIBPPRMPLXIU-UHFFFAOYSA-N 324.347 1.971 5 40 DDBB COCCN1C[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 24484989 NVBWBDMGSXUCFL-NSHDSACASA-N 321.333 1.337 5 40 DDBB Cc1nnc(NC(=O)[C@H](C)Cn2nc([N+](=O)[O-])cc2C)s1 2788176 ZXBHIQSURHXXDH-ZCFIWIBFSA-N 310.339 1.534 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]2CCCC[C@H]21 7020426 NCIBQSZCPOFXLS-GXTWGEPZSA-N 319.361 1.938 5 40 DDBB Cc1n[nH]c(C)c1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 95452969 FFRODMJSUPHJJE-UHFFFAOYSA-N 324.362 1.919 5 40 DDBB CCOC(=O)[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1Cl 95941788 LDEKAYOSUOTBFE-GFCCVEGCSA-N 302.714 1.974 5 40 DDBB Cc1[nH]nc(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)c1[N+](=O)[O-] 80777579 BGFWETKMDUJCHK-MRVPVSSYSA-N 322.296 1.963 5 40 DDBB O=C(NCCCN1CCOCC1)Nc1cccc([N+](=O)[O-])c1 24366953 MHBCXJIOINDSIF-UHFFFAOYSA-N 308.338 1.439 5 40 DDBB CCCn1nc(C(=O)OCc2ccccc2[N+](=O)[O-])ccc1=O 21867623 IEOFDADQLHZVJM-UHFFFAOYSA-N 317.301 1.919 5 40 DDBB O=C(NCCc1cc(F)cc2c1OCOC2)[C@@H]1C[C@@H]1[N+](=O)[O-] 52901892 NURKREYWLBYVGS-NEPJUHHUSA-N 310.281 1.016 5 40 DDBB C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@H]2CC[C@H]1C2 104615417 ZONYYYGPRLBDKH-UHXUPSOCSA-N 319.361 1.697 5 40 DDBB CCOC(=O)c1cnc(Sc2ncccc2[N+](=O)[O-])nc1N 1571857 XLYMFRHIKHWSRY-UHFFFAOYSA-N 321.318 1.690 5 40 DDBB CCC(CC)NS(=O)(=O)CCn1nc(C)c([N+](=O)[O-])c1C 12691014 ZDMGOTYQNOSHIH-UHFFFAOYSA-N 318.399 1.516 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])cn1)NCCOc1cccc(F)c1 27720065 MPFYDPWLZOHNNQ-UHFFFAOYSA-N 308.269 1.126 5 40 DDBB Nc1ncnc(Oc2ccc3sc(=O)oc3c2)c1[N+](=O)[O-] 3912719 DWBAEPDSOHRNKS-UHFFFAOYSA-N 306.259 1.927 5 40 DDBB Cc1cccc(C(=O)NC[C@H](C)N2CCOC[C@@H]2C)c1[N+](=O)[O-] 69897014 LRUFIUVFTWMKNN-STQMWFEESA-N 321.377 1.742 5 40 DDBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)n[nH]c1=S 85400153 PZBMZVPPFOVYDT-UHFFFAOYSA-N 307.335 1.799 5 40 DDBB Cn1cc(S(=O)(=O)Nc2n[nH]c3ccccc23)c([N+](=O)[O-])n1 89749828 RRPOJPHQAKXIJL-UHFFFAOYSA-N 322.306 1.005 5 40 DDBB CN(c1cnn(C)c1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 97235889 MMKIWPXPUZKICA-UHFFFAOYSA-N 324.362 1.337 5 40 DDBB COc1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 15174409 KMQRPAYPNMSTAX-UHFFFAOYSA-N 323.330 1.994 5 40 DDBB O=[N+]([O-])c1cc2c(cc1CNCCCN1CCOCC1)OCO2 20029409 KTVDEELTFVQLKA-UHFFFAOYSA-N 323.349 1.135 5 40 DDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C2CC2)CC1 25348316 NDXKKATUHGSSCA-UHFFFAOYSA-N 317.345 1.218 5 40 DDBB O=C(NCc1ccccn1)c1cc2c(cc1[N+](=O)[O-])OCCO2 17167818 QNCJAMNOXRDLJJ-UHFFFAOYSA-N 315.285 1.691 5 40 DDBB O=C(O)c1nn(-c2ccc(Br)cc2)nc1[N+](=O)[O-] 89263448 GITZKGWRPPACMI-UHFFFAOYSA-N 313.067 1.636 5 40 DDBB NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 79015765 YBUYBZBLTOFTIJ-STQMWFEESA-N 305.334 1.298 5 40 DDBB O=C(C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccncc1 6513507 YLAAGNVVOHQUNG-OAHLLOKOSA-N 313.269 1.403 5 40 DDBB O=C1N[C@]2(CCSC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 29737883 GRQKUVDWWFVVBN-ZDUSSCGKSA-N 307.331 1.522 5 40 DDBB NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F 69871696 NPMIZZQBBUCVCT-VIFPVBQESA-N 309.297 1.604 5 40 DDBB CC[C@@H](C)n1c(=N)c(C(N)=O)cc2c(=O)n3ccccc3nc21 100088323 JISDJLHYCYNWLK-SECBINFHSA-N 311.345 1.199 5 40 DDBB C[S@@](=O)c1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1 95409064 NPBDANAIJYXLKO-NRFANRHFSA-N 307.335 1.317 5 40 DDBB Cc1ccc(NC(=O)N(C)CC(C)(CO)CO)cc1[N+](=O)[O-] 89652158 BEBZYIKYTKATTL-UHFFFAOYSA-N 311.338 1.358 5 40 DDBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@](C)(C(=O)O)C1 71979621 RVOHUBGQGUALGH-CQSZACIVSA-N 321.289 1.567 5 40 DDBB COc1cc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(OC)c1 30840460 BUHZKFPYEQGOQS-ARJAWSKDSA-N 319.273 1.159 5 40 DDBB COC(=O)c1cnc(NC[C@H]2CC(=O)N[C@@H](C)C2)c([N+](=O)[O-])c1 585140999 NJTVBWSKQFGEHB-DTWKUNHWSA-N 322.321 1.103 5 40 DDBB O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@@H]1[N+](=O)[O-] 32932563 JKYMKFYKYKLAGY-UWVGGRQHSA-N 304.224 1.867 5 40 DDBB O=C(NC1CC1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 56004568 OMUNBBAEGABRBK-UHFFFAOYSA-N 317.345 1.726 5 40 DDBB Cc1nn(Cc2nc3ccccc3c(=O)n2C)c(C)c1[N+](=O)[O-] 28070133 QDYLFCSDSXOPMY-UHFFFAOYSA-N 313.317 1.703 5 40 DDBB O=C(NCC(F)(F)F)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 96005546 VGKPACGYDVXFCC-JTQLQIEISA-N 317.223 1.766 5 40 DDBB Cn1cnc([N+](=O)[O-])c1Sc1nc(-c2ccccn2)n[nH]1 71910169 QSZJHGXQNYATNQ-UHFFFAOYSA-N 303.307 1.660 5 40 DDBB Nc1nonc1-c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1 969433 AYQGOGORYWWAJQ-UHFFFAOYSA-N 308.641 1.930 5 40 DDBB CCn1c(=N)c(C(=O)OC)cc2c(=O)n3cc(C)ccc3nc21 100627700 MWTZJEQXWZFMPG-UHFFFAOYSA-N 312.329 1.244 5 40 DDBB O=[N+]([O-])c1cn(Cn2cc([N+](=O)[O-])nc2Cl)c(Cl)n1 8306605 KXWLAGLJIKHGOA-UHFFFAOYSA-N 307.053 1.709 5 40 DDBB Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] 22913923 FPUFZGQWMLTDMI-UHFFFAOYSA-N 320.393 1.271 5 40 DDBB O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 44467880 KQRFWZPZEDRKNB-SMDDNHRTSA-N 314.345 1.934 5 40 DDBB CN(C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 97134889 MAOSAHTZYIAUPW-UHFFFAOYSA-N 323.396 1.833 5 40 DDBB O=[N+]([O-])c1ccn(CCN2CCC[C@H]2[C@H](O)C(F)(F)F)n1 97212793 OGVCAEKPJCWQJN-WPRPVWTQSA-N 308.260 1.179 5 40 DDBB O=C(N1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 14333404 JAPCBTBEHZVJSD-UHFFFAOYSA-N 319.365 1.718 5 40 DDBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@](C)(C(=O)O)C1 71979528 DQPMQWVAIMDGQO-AWEZNQCLSA-N 321.289 1.567 5 40 DDBB NS(=O)(=O)c1cccc(N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1[N+](=O)[O-] 252585418 IKXVMQZCSAEJBO-KSPCNFCGSA-N 323.374 1.699 5 40 DDBB Nc1nc(-c2cccnc2)nn1C(=O)c1cccc([N+](=O)[O-])c1 6760303 DQZVZHJKNWSKMT-UHFFFAOYSA-N 310.273 1.519 5 40 DDBB CCc1nc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1 72665057 GQYXMHPDDVGRER-SNVBAGLBSA-N 318.337 1.622 5 40 DDBB CCCN(CC)CCNC(=O)N(C)c1ccncc1[N+](=O)[O-] 89958861 JUWGYTOQQKUDJC-UHFFFAOYSA-N 309.370 1.868 5 40 DDBB CCCCC[N+](C)(C)CCOC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 104184184 JJACJBAQGASNLP-RBZJEDDUSA-N 324.441 1.994 5 40 DDBB CCOCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C 27939087 JUAPMLKYSSVIHG-UHFFFAOYSA-N 302.352 1.608 5 40 DDBB CCN1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 69419046 SGPNGECWXQKUDI-JTQLQIEISA-N 310.329 1.530 5 40 DDBB CNS(=O)(=O)C[C@H]1CCCN1c1ccc(C)cc1[N+](=O)[O-] 89626361 ZVFCUISOHCSTQR-LLVKDONJSA-N 313.379 1.421 5 40 DDBB O=[N+]([O-])c1cccc(-c2nnn(Cc3nc(C4CC4)n[nH]3)n2)c1 97033867 VOVWMSCSQNXHAM-UHFFFAOYSA-N 312.293 1.292 5 40 DDBB CCN1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)N=C1S 16681429 SWSORQAIBZZMHC-YWEYNIOJSA-N 323.330 1.798 5 40 DDBB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 6509168 LHEABWBRIFOZMO-CPCISQLKSA-N 312.301 1.755 5 40 DDBB O=C1O[C@H](C[N+](=O)[O-])C(Br)=C1Oc1ccccc1 100049897 PUHWWEDNPGAPRR-MRVPVSSYSA-N 314.091 1.874 5 40 DDBB O=C1[C@H]2[C@@H](C(=O)[C@]3(c4ccc([N+](=O)[O-])cc4)O[C@@H]13)[C@H]1C=C[C@H]2C1 101277541 NYGHMTVUQBCABQ-XXUJHLOASA-N 311.293 1.779 5 40 DDBB CCCC[N+](C)(C)CCCOC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 104090160 BOWFDXSUABGSFT-QMHWVQJVSA-N 324.441 1.994 5 40 DDBB COC(=O)c1ccc(OCC(=O)N2CCCC2)c([N+](=O)[O-])c1 7128023 GFZHJWXPKOBOLN-UHFFFAOYSA-N 308.290 1.383 5 40 DDBB COC(=O)[C@@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2C)C1 45958635 IBXIPLBXLGEMBD-LLVKDONJSA-N 321.333 1.337 5 40 DDBB C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 20606237 UYOHAZXKVJSVJY-IJLUTSLNSA-N 308.334 1.998 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])c(NCc2ccco2)c([N+](=O)[O-])c1 26508933 VFBNUYYDUQCFAM-UHFFFAOYSA-N 306.234 1.807 5 40 DDBB COCCn1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1=O 46200256 XJHCDMMCQWSQFI-UHFFFAOYSA-N 317.301 1.655 5 40 DDBB CN(C[C@H]1COc2ccccc2O1)c1c([N+](=O)[O-])ncn1C 7124334 GNILTHJIDSNLSX-JTQLQIEISA-N 304.306 1.605 5 40 DDBB COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NCCO)n2)cc1 9357325 MIQPRJLDVRECPY-UHFFFAOYSA-N 320.309 1.123 5 40 DDBB CCc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 5471489 DDHULHCVMVCEPQ-UHFFFAOYSA-N 300.336 1.178 5 40 DDBB O=C(c1[nH]nc([N+](=O)[O-])c1Br)N1CCCCC1 113836 VGQARVGJTDSBJK-UHFFFAOYSA-N 303.116 1.707 5 40 DDBB COc1cc(C(=O)N2CCSCC2)c([N+](=O)[O-])cc1OC 53802496 CVVOFZJDSOKSBH-UHFFFAOYSA-N 312.347 1.801 5 40 DDBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCc1cccs1 3287954 JSDRBOYCZIKOEH-UHFFFAOYSA-N 310.287 1.723 5 40 DDBB O=c1[nH]c(/C=C/c2ccc3c(c2)OCCO3)nc(O)c1[N+](=O)[O-] 9130435 OJNNLVICOSBADQ-DUXPYHPUSA-N 317.257 1.325 5 40 DDBB O=[N+]([O-])c1ncn(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)n1 95438925 UWMPBTHIBBGFQB-TZMCWYRMSA-N 318.333 1.641 5 40 DDBB CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1c([N+](=O)[O-])cnn1C 92769840 KORSNSKHDNNRBF-WQAKAFBOSA-N 324.381 1.898 5 40 DDBB CS(=O)(=O)C(Cl)(Cl)[C@H](O)c1cccc([N+](=O)[O-])c1 96519622 VURWUQARYSZEJN-MRVPVSSYSA-N 314.146 1.804 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@@H](O)COc2ccc(F)cc2)nc1 57149193 MDTWFYKXMWRTBM-GFCCVEGCSA-N 307.281 1.981 5 40 DDBB O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1[N+](=O)[O-] 6813678 IWQDZSJMDUHUHM-UHFFFAOYSA-N 306.303 1.409 5 40 DDBB O=C(c1nc2cc([N+](=O)[O-])ccc2nc1O)[C@H](O)c1ccco1 104305619 YQKBUOFQUIDPIY-GFCCVEGCSA-N 315.241 1.753 5 40 DDBB N[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 97019580 HHPHUQFPWWQDIN-ZDUSSCGKSA-N 321.380 1.714 5 40 DDBB Cc1nc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n[nH]1 95460566 MGGBNZLYSSFCPG-UHFFFAOYSA-N 302.338 1.344 5 40 DDBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 169682571 BVLNLBMVGURYKE-LPWJVIDDSA-N 300.270 1.346 5 40 DDBB C[S@](=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 76023441 LAQSQCKYFBBOQF-OAQYLSRUSA-N 315.370 1.234 5 40 DDBB COc1ccc(-c2nc(Cn3cnc([N+](=O)[O-])c3)no2)cc1 26124739 INUOJOPSRSXQGT-UHFFFAOYSA-N 301.262 1.898 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C)n1N 28786320 RAHAQTZOXNWAFF-UHFFFAOYSA-N 322.350 1.248 5 40 DDBB C[N+](C)(C)CCCNC(=O)C[C@H]1Sc2ccccc2NC1=O 4419260 RVXJRZQVSZOSPR-CQSZACIVSA-O 322.454 1.702 5 40 DDBB O=[N+]([O-])c1cc(Cl)cnc1NCCN1CCCOCC1 188489767 LOCJKHMCIUTMMA-UHFFFAOYSA-N 300.746 1.777 5 40 DDBB CC(C)(NC(=O)CN1CCCCC1=O)c1ccc([N+](=O)[O-])cc1 96456510 HBNMIYKTVNCAIT-UHFFFAOYSA-N 319.361 1.959 5 40 DDBB COC(=O)c1cnc(NCC(C)(C)n2cccn2)c([N+](=O)[O-])c1 585141318 TWFQMFGVMQDEQY-UHFFFAOYSA-N 319.321 1.820 5 40 DDBB C[N@+]12CCCC[C@H]1[C@H](COCC(=O)N1CCOCC1)CCC2 585162686 BWUWEVLAZIDXFV-TXPKVOOTSA-N 311.446 1.271 5 40 DDBB O=[N+]([O-])c1c(N2CCCC3(C2)OCCO3)nc2sccn12 84618410 DIDGWQXUPSXXJG-UHFFFAOYSA-N 310.335 1.647 5 40 DDBB CNC[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 40597138 ZXFWAUNQJKRUCQ-LLVKDONJSA-N 313.379 1.215 5 40 DDBB Cc1ccc(OCc2nc(N)nc(N(C)C)n2)c([N+](=O)[O-])c1 25042624 KADZBCDKUOMDII-UHFFFAOYSA-N 304.310 1.315 5 40 DDBB O=[N+]([O-])c1cccnc1N[C@@H]1CCCN(c2ncccn2)C1 44976642 VDRDEPKAZYRRCQ-LLVKDONJSA-N 300.322 1.861 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 58442130 BZFMCOSVGRRKKU-NEPJUHHUSA-N 322.321 1.778 5 40 DDBB Nc1nc(NCCO)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 5068315 URIJZJJYPYBFEI-UHFFFAOYSA-N 324.728 1.768 5 40 DDBB C[C@@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)C1 5162748 LPIUCUDAPNXWOH-SNVBAGLBSA-N 322.369 1.040 5 40 DDBB O=C1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CN1 72230538 BKUTUVTVFKOROS-SSDOTTSWSA-N 312.713 1.648 5 40 DDBB Cc1nnc2ccc(N3CCc4ccc([N+](=O)[O-])cc4C3)nn12 84297128 SBKGTKKEJPMNKQ-UHFFFAOYSA-N 310.317 1.904 5 40 DDBB NC[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 97229425 PWRXCQIDMVLOHI-VIFPVBQESA-N 319.770 1.264 5 40 DDBB COc1cc(OC)c([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1OC 128876 XXXOQNAXNXKJPB-XPTSAGLGSA-N 310.306 1.309 5 40 DDBB CCC1=C(C(=O)OC)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 7554031 QQXRZOCDKZFFLU-GFCCVEGCSA-N 321.358 1.951 5 40 DDBB Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](N2CCNC2=O)C1 71907724 AIWQYXFYWWYSJH-NSHDSACASA-N 305.338 1.292 5 40 DDBB CCN(CC)C(=O)CN(C)c1nc2sccn2c1[N+](=O)[O-] 8337998 ZNPSXFCQFNPVKO-UHFFFAOYSA-N 311.367 1.609 5 40 DDBB Cc1ccc(NC(=O)CCNc2c([N+](=O)[O-])c(C)nn2C)nc1 72280822 BPPQZSYSWQKDDA-UHFFFAOYSA-N 318.337 1.781 5 40 DDBB CN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2Oc2ccccc2)C1 19831204 BEASEFJNKGANKI-CABCVRRESA-N 319.317 1.720 5 40 DDBB O=[N+]([O-])c1cccc(-c2ncn(Cc3nnnn3C3CC3)n2)c1 96480749 XSSWMXZBWLXQDF-UHFFFAOYSA-N 312.293 1.223 5 40 DDBB C[C@@H]([C@H](O)c1cc(=O)c(OCc2ccccc2)co1)[N+](=O)[O-] 480938 ZBINPMGAVPHASE-BONVTDFDSA-N 305.286 1.917 5 40 DDBB O=C1OCc2ccc(I)c([N+](=O)[O-])c21 4294166 IGAHVFGBPBXRRS-UHFFFAOYSA-N 305.027 1.870 5 40 DDBB C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC12CCC2 95458116 PUIZHZIAHSJITJ-JTQLQIEISA-N 305.334 1.935 5 40 DDBB O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F 4115546 WIHZWTRUHHFGKQ-UHFFFAOYSA-N 303.240 1.806 5 40 DDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 46033686 DCRYJYNARQRYIX-WDEREUQCSA-N 314.363 1.701 5 40 DDBB CN1C(=O)[C@@H]([C@H]2OC(=O)c3ccccc32)S/C1=C\[N+](=O)[O-] 5208578 CUHQSXKQBFQMNR-JDEZKBKISA-N 306.299 1.548 5 40 DDBB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1 408730235 GEIIXGCHCVMOAA-LLVKDONJSA-N 309.278 1.721 5 40 DDBB COc1cccc2c1OC[C@H](Nc1c([N+](=O)[O-])ncn1C)C2 69558168 QLBWELXNKXCHGM-SNVBAGLBSA-N 304.306 1.753 5 40 DDBB Cc1cnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)c([N+](=O)[O-])c1 89580194 LCSSGYUDCYEISF-OAHLLOKOSA-N 317.349 1.784 5 40 DDBB O=C(O)CN1C(=O)S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O 409140979 GDWKYRASEWYXLO-RUDMXATFSA-N 324.270 1.421 5 40 DDBB Cc1nn(C)c(C(=O)N[C@H](C)CNc2ccccc2)c1[N+](=O)[O-] 96495426 XMFKPHRODIDDMA-SNVBAGLBSA-N 317.349 1.867 5 40 DDBB CCc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N 20842794 VKQOHIXYLDHJGP-UHFFFAOYSA-N 322.350 1.193 5 40 DDBB O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCN(CCO)CC1 19293084 PDSYPHRKXKDOAH-UHFFFAOYSA-N 320.393 1.309 5 40 DDBB CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 4187733 KIMRJOQILWPYPZ-UHFFFAOYSA-N 322.321 1.808 5 40 DDBB Nc1nc(N2CCCC2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] 5099649 MWZVOPRBIUGWRQ-VIFPVBQESA-N 308.342 1.158 5 40 DDBB COc1cc([N+](=O)[O-])ccc1OCC(=O)NC[C@H]1CCCO1 69389008 AGAHSIYERWUIHL-LLVKDONJSA-N 310.306 1.277 5 40 DDBB CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 32921863 JVHUYAFISWIQDA-NSHDSACASA-N 323.349 1.494 5 40 DDBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1CCNC1=O 24862659 XEIRGNQSEKYQSN-JTQLQIEISA-N 306.322 1.139 5 40 DDBB Cn1cnc([N+](=O)[O-])c1Sc1nnc(C(F)(F)F)n1C 13220268 QEOAMWHUDZKENG-UHFFFAOYSA-N 308.245 1.627 5 40 DDBB O=[N+]([O-])c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 4684933 PMFOFPSTSTXUIC-UHFFFAOYSA-N 310.701 1.581 5 40 DDBB COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@H](C2)[N+](C)(C)CC[C@]341 6624427 MLIBORQWQWVNCO-KQQQJOJRSA-N 314.405 1.646 5 40 DDBB CC(=O)c1ccc(NC[C@@H](C)N2CCOCC2)c([N+](=O)[O-])c1 25567741 OHQIFEYZAAHZTL-LLVKDONJSA-N 307.350 1.930 5 40 DDBB CS(=O)(=O)N1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 58440338 LBUYPYHEUALUGB-JTQLQIEISA-N 317.342 1.570 5 40 DDBB CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1C(=O)O 15443689 CRSNXNMNACHFNO-SNVBAGLBSA-N 314.319 1.052 5 40 DDBB NC(=O)NC[C@H]1CCCCN1c1ncc(Cl)cc1[N+](=O)[O-] 90138563 JQKSIBKZFHJFLF-SECBINFHSA-N 313.745 1.670 5 40 DDBB COc1ccc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc1 8830329 LRLBEYQRFVERTQ-UHFFFAOYSA-N 304.258 1.819 5 40 DDBB CC(C)CNC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 2640480 OWFKNTVEXBLLTQ-UHFFFAOYSA-N 304.306 1.077 5 40 DDBB O=C(NCc1nccn1C(F)F)Nc1ccncc1[N+](=O)[O-] 97080940 CGQQJCMOZGNYCP-UHFFFAOYSA-N 312.236 1.903 5 40 DDBB O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ncccn3)C2)nc1 44976672 WFMOBBWRIXNBIR-NSHDSACASA-N 300.322 1.861 5 40 DDBB Cc1c(NC(=O)C(=O)N2CCCSCC2)cccc1[N+](=O)[O-] 95365139 UFVFZGPMGPEGBY-UHFFFAOYSA-N 323.374 1.807 5 40 DDBB C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 63193854 XMLLJYVDYSZIRC-GXFFZTMASA-N 313.379 1.485 5 40 DDBB CN1CCN(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 4746336 DRGPAAYACRLSIE-UHFFFAOYSA-N 318.421 1.807 5 40 DDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[C@@H]1CCCO1 24432923 SFDNKTIREHDYIY-JTQLQIEISA-N 300.336 1.442 5 40 DDBB O=c1[nH]c(/C=C/c2cc(Cl)ccc2O)c([N+](=O)[O-])c(=O)[nH]1 5670586 UPJPSXQYNXCKSQ-HNQUOIGGSA-N 309.665 1.501 5 40 DDBB O=C(CN1CCc2ccc([N+](=O)[O-])cc21)NCc1ccccn1 97111443 AJYVMRASYXRZFZ-UHFFFAOYSA-N 312.329 1.669 5 40 DDBB Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCc2ccccc21 67825032 OOPCQRLQUGUJTC-CYBMUJFWSA-N 300.318 1.903 5 40 DDBB COc1ccc2oc3cc(OCC(N)=O)cc(O)c3c(=O)c2c1 8765179 IGMOUSBPIGKCEU-UHFFFAOYSA-N 315.281 1.525 5 40 DDBB biogenic COCC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 24936502 MVSGZRKCJUTAFH-UHFFFAOYSA-N 313.741 1.543 5 40 DDBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)N1CCCC1 12513013 GOOAJANBLLEIFA-SECBINFHSA-N 307.306 1.345 5 40 DDBB C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 69061937 JMNBRPFGUIUVEQ-SMDDNHRTSA-N 323.349 1.840 5 40 DDBB CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccc[nH]1 195576816 GHNQXKCFSLECHG-UHFFFAOYSA-N 309.347 1.981 5 40 DDBB Cc1cc([N+](=O)[O-])nn1CC(=O)NCCO[C@H]1CCCC[C@H]1C 193874158 AOTNOHSMWCQSFE-YPMHNXCESA-N 324.381 1.811 5 40 DDBB O=[N+]([O-])c1cccc(F)c1CN1CCN(C[C@@H]2CCOC2)CC1 96455415 IXGSBIPDALYOLX-ZDUSSCGKSA-N 323.368 1.888 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 4349981 DWBRKRTWHDOAPE-DVZHBHJUSA-N 314.297 1.736 5 40 DDBB O=C(c1ccncc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 72288669 JUTIFKXLAKQSKM-LBPRGKRZSA-N 313.317 1.711 5 40 DDBB CN(C)c1ncc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1C 89741142 GLEXWTKEEXBWRE-UHFFFAOYSA-N 318.337 1.716 5 40 DDBB CC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1 47249825 MCRXUZBZRJSKCR-NEPJUHHUSA-N 305.334 1.819 5 40 DDBB CCN(CC)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2002484 VTTXTQSIUJCMHK-UHFFFAOYSA-N 310.310 1.575 5 40 DDBB COc1cc(/C=C2/SC(=N)NC2=O)c([N+](=O)[O-])cc1OC 4832624 OTYUDLYWAFNRJR-ONNFQVAWSA-N 309.303 1.751 5 40 DDBB CCN(Cc1cccc(C)c1)C(=O)Cn1cnc([N+](=O)[O-])n1 53836533 AGLVJDXVFIXANM-UHFFFAOYSA-N 303.322 1.543 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCc2ncnn2C1 97002475 NPMPSKACQYDNLZ-SNVBAGLBSA-N 316.321 1.631 5 40 DDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@H]1Cn1cnc2ccccc21 89878667 BMYRNXSILSAQLG-JMSVASOKSA-N 314.345 1.693 5 40 DDBB CCCc1[nH]nc(C(=O)N[C@@H](C)c2nc(C)no2)c1[N+](=O)[O-] 78775167 RUWIVWYHZDDUTL-LURJTMIESA-N 308.298 1.453 5 40 DDBB CCS(=O)(=O)NCCNc1ccc([N+](=O)[O-])c2cnccc12 72230306 XCIJNSLMTZYBCN-UHFFFAOYSA-N 324.362 1.494 5 40 DDBB CCC12CN3CC(C)(CN(C1)C3c1ccc([N+](=O)[O-])o1)C2=O 19324934 IXLSKYLNPLULOT-UHFFFAOYSA-N 305.334 1.803 5 40 DDBB NC(=O)[C@H]1CCCN1C1CCN(c2ccccc2[N+](=O)[O-])CC1 89814094 VUHISCQIEDUPDC-OAHLLOKOSA-N 318.377 1.513 5 40 DDBB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccccc1[N+](=O)[O-] 3320620 QUPCIYVXVYXLBE-UHFFFAOYSA-N 311.253 1.731 5 40 DDBB CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 40489182 HKPKWBBNYQKTDY-QMMMGPOBSA-N 318.376 1.306 5 40 DDBB Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2cccnc2)n1C 1622269 RNYWSASYWOAECU-UHFFFAOYSA-N 317.334 1.670 5 40 DDBB in-vitro Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)n2ncnc2n1 25571140 YLWYJHQRTZXGQR-UHFFFAOYSA-N 313.321 1.865 5 40 DDBB O=C(O)CCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4159775 QWFGODBVEMONPJ-UHFFFAOYSA-N 316.335 1.518 5 40 DDBB Cc1nc2n(n1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 9356636 XJPWFDMXVSPXNI-SNVBAGLBSA-N 316.277 1.017 5 40 DDBB Nc1nc(Nc2ccc3c(c2)OCCCO3)ncc1[N+](=O)[O-] 84490002 YEIZRZPULXTASY-UHFFFAOYSA-N 303.278 1.872 5 40 DDBB Cc1ccnc(NC[C@H](CO)Cc2cnn(C)c2)c1[N+](=O)[O-] 585142411 WQMLGDDGVJTJPO-GFCCVEGCSA-N 305.338 1.295 5 40 DDBB O=[N+]([O-])c1cn(CC(F)F)nc1I 675031840 PQVJFOVZARUPAG-UHFFFAOYSA-N 303.006 1.661 5 40 DDBB Cc1nn(C)c(N2CCC[C@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] 97086185 LXFWSKIXNCUSDV-NSHDSACASA-N 310.354 1.616 5 40 DDBB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 18323718 YALSXDFXEYVAAF-RNJOBUHISA-N 316.269 1.046 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2O)cc1 6472564 NAKGLFQELTWAJZ-NWDGAFQWSA-N 300.336 1.177 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCn1ccnc1 14398993 SWDFGSYXQUMEAA-UHFFFAOYSA-N 324.362 1.468 5 40 DDBB C[N+]1([C@@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)CCCCC1 6565141 KNYSSDLUZNPUIE-HUUCEWRRSA-N 301.476 1.268 5 40 DDBB O=C(COC(=O)c1cccnc1)Nc1ccc([N+](=O)[O-])cc1 8288712 KKYUJWMQMMPPKT-UHFFFAOYSA-N 301.258 1.785 5 40 DDBB C[C@@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 106580236 RQXSOMDWCYLZAJ-VOAKCMCISA-N 319.361 1.697 5 40 DDBB C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 25412499 GVWZNCWIMJCHSF-VXGBXAGGSA-N 319.361 1.593 5 40 DDBB CC(C)(C)NS(=O)(=O)c1ccc(N2CCC2)c([N+](=O)[O-])c1 12516829 BXYODSGQXMLGBV-UHFFFAOYSA-N 313.379 1.882 5 40 DDBB CN1C(=O)[C@H]([C@H]2OC(=O)c3ccccc32)S/C1=C\[N+](=O)[O-] 5208581 CUHQSXKQBFQMNR-PNEDHVDMSA-N 306.299 1.548 5 40 DDBB Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21 14099100 XXCVGLINEWWKKL-UHFFFAOYSA-N 322.346 1.686 5 40 DDBB Cc1cc(S(=O)(=O)N(C)Cc2nccn2C)ccc1[N+](=O)[O-] 71909099 VQNVPPUNODFSGE-UHFFFAOYSA-N 324.362 1.457 5 40 DDBB Cc1nc2ccccc2n1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 96435681 KVYOSPIDUMUDGQ-GFCCVEGCSA-N 301.306 1.511 5 40 DDBB Cn1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 42716998 KQGXGDMLLWXTMU-UHFFFAOYSA-N 308.725 1.954 5 40 DDBB NS(=O)(=O)c1cccc(NCc2cccs2)c1[N+](=O)[O-] 97234740 JBIJSRKZUYTYMG-UHFFFAOYSA-N 313.360 1.916 5 40 DDBB Cc1c(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] 48302164 DZEMNCUMECRVKG-SECBINFHSA-N 313.335 1.212 5 40 DDBB O=C(NCCc1nnc2ccccn12)c1ccc([N+](=O)[O-])cc1 11546127 QAYLTGZSRSFHQD-UHFFFAOYSA-N 311.301 1.610 5 40 DDBB Cc1ccc2nc(Cn3nc(C)c([N+](=O)[O-])c3C)cc(=O)n2c1 6112067 RGZFJEVWXJGARU-UHFFFAOYSA-N 313.317 1.773 5 40 DDBB COc1ccc(Nc2nc3nnnn3c(C)c2[N+](=O)[O-])cc1 4622591 ADEFXYQDXASAJX-UHFFFAOYSA-N 301.266 1.488 5 40 DDBB O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCS(=O)(=O)C1 67980087 IAUHKZFOAYMWLF-ZETCQYMHSA-N 302.283 1.107 5 40 DDBB COC(=O)c1cc(C(=O)NCc2c[nH]nc2C)cc([N+](=O)[O-])c1 68238918 SWFZGYCTBNIUBW-UHFFFAOYSA-N 318.289 1.343 5 40 DDBB O=C(NCCc1ccccc1[N+](=O)[O-])NC1(CO)CCCC1 89813896 VBRKPJCURHRDBN-UHFFFAOYSA-N 307.350 1.742 5 40 DDBB COc1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)F)n1N 216903506 XAHYRVNJBPNEAL-UHFFFAOYSA-N 317.277 1.998 5 40 DDBB CN(Cc1ncnn1C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 73391390 VSMJOWWKLDVCQO-UHFFFAOYSA-N 309.713 1.649 5 40 DDBB COC(=O)[C@@H]1C[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])CN1 42783158 BYXWKXRWPAVAIA-IUCAKERBSA-N 300.698 1.531 5 40 DDBB COc1c(I)cc(C(=O)O)cc1[N+](=O)[O-] 89065431 RDCHDNBEJITDRO-UHFFFAOYSA-N 323.042 1.906 5 40 DDBB C[C@](O)(CNc1ccc(F)cc1[N+](=O)[O-])CN1CCOCC1 96429652 RWWAOEKZTSOSLT-AWEZNQCLSA-N 313.329 1.229 5 40 DDBB O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 1442224 PRIVOAVAFMUNKE-WCQYABFASA-N 322.342 1.481 5 40 DDBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCCO1 27895782 VHLZRLCLRLKOJO-PRHODGIISA-N 309.278 1.800 5 40 DDBB Nc1nc(N2CCCCCC2)nc(N2CCOCC2)c1[N+](=O)[O-] 4306432 LUSXTZBVZVJLLC-UHFFFAOYSA-N 322.369 1.184 5 40 DDBB O=[N+]([O-])c1ccccc1CN(C1CC1)[C@@H]1CCS(=O)(=O)C1 71892934 LZWXUILKVIUREH-CYBMUJFWSA-N 310.375 1.746 5 40 DDBB COC(=O)[C@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(C)C 8770635 WBWXMZVBUTZUKE-GFCCVEGCSA-N 310.306 1.531 5 40 DDBB O=C1OCC[C@H]1N1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 89773160 DFIQQVBRNDJBBF-CQSZACIVSA-N 323.324 1.926 5 40 DDBB C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 69061924 JMNBRPFGUIUVEQ-FZMZJTMJSA-N 323.349 1.840 5 40 DDBB CC(=O)N[C@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1 211630308 IVMXTFCKYQZHKM-CYBMUJFWSA-N 308.338 1.167 5 40 DDBB Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)c([N+](=O)[O-])cc1C 408918168 HDKAAMKBKPFEQB-AAVRWANBSA-N 314.297 1.654 5 40 DDBB O=[N+]([O-])c1cccnc1Sc1nnnn1C1CCOCC1 69569315 XNEBNDORXLYHEP-UHFFFAOYSA-N 308.323 1.479 5 40 DDBB CN(C)C[C@@H](O)Cn1cc(Nc2ccc([N+](=O)[O-])cc2F)cn1 69774547 ANORGAVHGKDSIK-GFCCVEGCSA-N 323.328 1.597 5 40 DDBB Cc1nn(C)c(NCCc2nnc3n2CCCC3)c1[N+](=O)[O-] 97373102 UYRFZDQSEGPMNZ-UHFFFAOYSA-N 305.342 1.219 5 40 DDBB COc1cc(N2CCN(C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] 96453196 SIHGKGLCWBDIHS-CQSZACIVSA-N 321.377 1.904 5 40 DDBB COc1ccc([C@H]2NC(=O)N(C)C(C)=C2[N+](=O)[O-])cc1OC 363091 ZZYNSHJSTGBVPE-GFCCVEGCSA-N 307.306 1.908 5 40 DDBB C[C@](CCC(=O)O)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 6491034 JPCSDMAVHSDIKO-CYBMUJFWSA-N 310.262 1.033 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2C[C@@H]2[C@@H]1C(=O)O 100123945 NPNZWNCDQBAUAE-VFWDIBGWSA-N 306.274 1.291 5 40 DDBB COC(=O)C(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 45958519 XLDLOGTZEVFMDC-UHFFFAOYSA-N 316.335 1.133 5 40 DDBB Nc1nc(N2CCCCC2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] 5099534 IGSLXHZVPCVQOO-JTQLQIEISA-N 322.369 1.548 5 40 DDBB CCOc1ccc(NC(=O)CSc2ncn[nH]2)c([N+](=O)[O-])c1 8691211 XRSOJFIZMPDDOV-UHFFFAOYSA-N 323.334 1.842 5 40 DDBB Cc1c(O)ccc2c(Cn3cc([N+](=O)[O-])cn3)cc(=O)oc12 77932262 IAPCJXZERBDJGZ-UHFFFAOYSA-N 301.258 1.960 5 40 DDBB CC(C)(CNC(=O)Nc1ccccc1[N+](=O)[O-])N1CCOCC1 33040309 ZYWOUVZQEFBUCU-UHFFFAOYSA-N 322.365 1.827 5 40 DDBB CCOC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 12899146 YYGXVXRGSVEBTF-JTQLQIEISA-N 309.322 1.349 5 40 DDBB C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(=O)NC1CC1 12910832 JRZBORYZJDVUSI-MRVPVSSYSA-N 321.289 1.128 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CC(=O)OCc1ccccc1[N+](=O)[O-] 408609021 YCPSNWRTRNLUBO-UHFFFAOYSA-N 320.261 1.751 5 40 DDBB Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1[N+](=O)[O-] 222492252 MGXPBFSXDVZTQW-LOWDOPEQSA-N 318.285 1.496 5 40 DDBB O=[N+]([O-])c1ccc(Cc2nsc(N3CCNCC3)n2)cc1 216642414 GJNFOZGKVSIZKP-UHFFFAOYSA-N 305.363 1.447 5 40 DDBB Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1COc2ccccc2C1 191675637 TWSMEKMLFBJDNG-JTQLQIEISA-N 302.290 1.518 5 40 DDBB CCCNC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57891889 LOTZAJOPRLYHRO-ZDUSSCGKSA-N 320.393 1.632 5 40 DDBB CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 69369113 NLJJXMDOHJWZKK-ZDUSSCGKSA-N 305.334 1.644 5 40 DDBB O=[N+]([O-])c1cnn(-c2cc(-c3ccccc3)nc3ncnn23)c1 96447879 LZHLDGUZOFXEPO-UHFFFAOYSA-N 307.273 1.885 5 40 DDBB C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)n1cc([N+](=O)[O-])cn1 2732803 SWHQDANMWBNOAV-QMMMGPOBSA-N 304.262 1.689 5 40 DDBB CS[C@H]1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 72287124 WELWGCSZYHMEDD-PWSUYJOCSA-N 312.395 1.972 5 40 DDBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 46169971 QGHBHBJAMXSCLK-PWSUYJOCSA-N 305.334 1.593 5 40 DDBB C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2 66966718 DYADDGNRIZUGMD-SNVBAGLBSA-N 315.333 1.552 5 40 DDBB COC[C@@H](O)CN(C)c1cc(C)nc2c([N+](=O)[O-])cccc12 95988667 FHVBVYOOVWSZPT-NSHDSACASA-N 305.334 1.895 5 40 DDBB O=C(NCc1nnc2n1CCCC2)Nc1ccc([N+](=O)[O-])cc1 40554058 YEUVPKQBQFJQDB-UHFFFAOYSA-N 316.321 1.844 5 40 DDBB O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(c2ccccc2Cl)CC1 47271807 CTFQIHNNPMCQJZ-GWCFXTLKSA-N 309.753 1.654 5 40 DDBB Cc1csc(SC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 76082548 GETKHWCLJBJUMV-SECBINFHSA-N 300.365 1.709 5 40 DDBB CC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 65711501 ODJQOMKUKGKDKG-UHFFFAOYSA-N 302.290 1.941 5 40 DDBB O=C([C@@H]1CCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 9157390 IXEGXGFEJGITLJ-AWEZNQCLSA-N 305.334 1.422 5 40 DDBB Cc1cc(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)cc([N+](=O)[O-])c1 249117751 STZIZBXWEOBCBC-STQMWFEESA-N 321.377 1.430 5 40 DDBB COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 5510668 RYEKJAURVSKGDU-JTQLQIEISA-N 315.709 1.663 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1 6472563 NAKGLFQELTWAJZ-RYUDHWBXSA-N 300.336 1.177 5 40 DDBB COC(=O)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] 40714993 ROLDWZSOVBXGCX-UHFFFAOYSA-N 316.335 1.053 5 40 DDBB Cc1ccc(C(=O)C[C@H](C(=O)O)n2cnc([N+](=O)[O-])n2)cc1 818199 OEANJVRCXHQERV-SNVBAGLBSA-N 304.262 1.393 5 40 DDBB Nc1nc(NCc2ccco2)nc(N2CCOCC2)c1[N+](=O)[O-] 5216057 MHYDDNHOOFQPBF-UHFFFAOYSA-N 320.309 1.009 5 40 DDBB COC(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc([N+](=O)[O-])c1 27914434 VTKYCZHXWOLSGY-ZANVPECISA-N 322.317 1.679 5 40 DDBB CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 67171674 YBQSJQYCPBQWKP-ONGXEEELSA-N 311.725 1.693 5 40 DDBB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 70039585 SNAQHXUZKQFKST-VRKREXBASA-N 315.373 1.795 5 40 DDBB CC(C)N1C[C@H](C(=O)Nc2ccc(F)cc2[N+](=O)[O-])CC1=O 75128290 JCOSSAIXPCBKKE-SECBINFHSA-N 309.297 1.929 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(=O)N1CCCC1 40525438 ZPGSJMRVKMVYQB-UHFFFAOYSA-N 306.322 1.647 5 40 DDBB Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)Nc1ccc(C(=O)O)cc1 2730808 JGKWVYOQVXBESL-VIFPVBQESA-N 318.289 1.998 5 40 DDBB O=[N+]([O-])c1ccc(O[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 4545081 UIMXNDCYXXUKEJ-QMMMGPOBSA-N 302.264 1.069 5 40 DDBB CC(C)[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C(=O)O 33454515 CXCXPIMAEKWVQF-CYBMUJFWSA-N 310.306 1.589 5 40 DDBB Cc1[nH]nc(C(=O)NC[C@H](O)c2ccccc2Cl)c1[N+](=O)[O-] 77631864 LKXJLMGTQMBNQQ-JTQLQIEISA-N 324.724 1.743 5 40 DDBB O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@H]1CO 81487624 FKZLIKNROYHYKC-ZFWWWQNUSA-N 321.377 1.988 5 40 DDBB CN(Cc1ccccn1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] 40556349 QUURGCSJSFXSAD-UHFFFAOYSA-N 311.301 1.634 5 40 DDBB CCCCN(CC(N)=O)CC(=O)Nc1ccccc1[N+](=O)[O-] 32927234 PIACGOQYQTXXRG-UHFFFAOYSA-N 308.338 1.121 5 40 DDBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCc1cnn(C)c1 42729443 FWRSCXKMUIDPMJ-UHFFFAOYSA-N 317.349 1.367 5 40 DDBB CN1CCN(C(=O)[C@@H]2CCCN2c2ccccc2[N+](=O)[O-])CC1 71904124 VEPCVCNMNAPYAV-HNNXBMFYSA-N 318.377 1.338 5 40 DDBB Cc1ccc(NCCCNC(=O)c2cnn[nH]2)c([N+](=O)[O-])c1 72292410 RKWPVEUHFKKJIZ-UHFFFAOYSA-N 304.310 1.253 5 40 DDBB O=[N+]([O-])c1ncn(C[C@@H](O)COCc2ccccc2Cl)n1 95438932 XGNBVNYFDVZJMP-SNVBAGLBSA-N 312.713 1.417 5 40 DDBB COc1ccc(CN[C@@H]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] 97375114 UHESIUPEKFJDTD-NWDGAFQWSA-N 307.350 1.737 5 40 DDBB Cc1cnc(N2CCC[C@@H]2CN2CCOCC2)c([N+](=O)[O-])c1 160414714 ICHNPKUEKAXZQQ-CYBMUJFWSA-N 306.366 1.599 5 40 DDBB CCn1cc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cn1 2110706 HFNLLNRVLVCCJU-UHFFFAOYSA-N 319.277 1.649 5 40 DDBB CN(Cc1cccc(F)c1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 10452557 WFMRNXONIXRTGK-UHFFFAOYSA-N 319.292 1.554 5 40 DDBB Cc1nc(CCCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cs1 91580610 KKHIWRMNIDBLOA-UHFFFAOYSA-N 322.346 1.253 5 40 DDBB CC(=O)N1N=C(C(F)(F)F)C[C@@]1(O)c1cccc([N+](=O)[O-])c1 298757 QWGJWSFWLGGKIS-LLVKDONJSA-N 317.223 1.910 5 40 DDBB COc1ccc(C(=O)N[C@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] 58393287 DZMVGTGRLIJGLU-QWHCGFSZSA-N 319.361 1.960 5 40 DDBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1C 9010344 PTYHEBIKPCJWCL-WAYWQWQTSA-N 303.274 1.871 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](C)(O3)[C@@H]2C1=O 408726414 BKSLNMHPDQPLGV-NFFDBFGFSA-N 314.297 1.736 5 40 DDBB C[C@H]1CCCCN1c1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-] 26508752 FMWQXTZYHFEZCR-QMMMGPOBSA-N 308.294 1.981 5 40 DDBB O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 408659233 KGFQYWYIUXRREI-DVSPIQLMSA-N 320.276 1.870 5 40 DDBB COc1cccc(C(=O)N(C)CCn2cccn2)c1[N+](=O)[O-] 194338764 XXYPANNONQYQJZ-UHFFFAOYSA-N 304.306 1.572 5 40 DDBB C[C@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 169616395 FRGLHYCBNUERGJ-NOXHYTERSA-N 314.297 1.818 5 40 DDBB CC(=O)N[C@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 48274224 SAEUZKBTBNTWAW-ZDUSSCGKSA-N 317.349 1.503 5 40 DDBB CNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 45645477 UERUHGQNSLDEPL-UHFFFAOYSA-N 308.294 1.465 5 40 DDBB CCN1c2ccc([N+](=O)[O-])cc2CC(C(=O)O)(C(=O)O)[C@@H]1C 5269863 ORHJVZANKSCEIV-QMMMGPOBSA-N 308.290 1.521 5 40 DDBB O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 408728433 MGSUPBAXDDKNCB-KKOKHZNYSA-N 320.688 1.691 5 40 DDBB CCOC(=O)N1CCN(C(=N)Nc2ccc([N+](=O)[O-])cn2)CC1 225237534 RBVBKNGIVWRVDV-UHFFFAOYSA-N 322.325 1.111 5 40 DDBB NC(=O)C[C@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 87221759 XFTGNZWINOXPLJ-CYBMUJFWSA-N 319.361 1.784 5 40 DDBB O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCS(=O)(=O)C1 89780852 LBROUEFCLBYWIW-JTQLQIEISA-N 313.335 1.294 5 40 DDBB CN(Cc1ccnn1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2803976 CDDUBURWDSKXPN-UHFFFAOYSA-N 310.335 1.149 5 40 DDBB O=C(NC1CC=CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 97081402 VVDXMKLQHQRTLH-CQSZACIVSA-N 301.302 1.923 5 40 DDBB CC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccco1 26966939 PJOLEXZMXOPCSO-AWEZNQCLSA-N 303.274 1.945 5 40 DDBB COc1nc2cc3nc(OC)c(OC)nc3cc2nc1OC 3843487 WVYKZPMSTVOCFM-UHFFFAOYSA-N 302.290 1.607 5 40 DDBB biogenic CCN(CC)c1nn(-c2ccccc2[N+](=O)[O-])nc1C(=O)O 256048657 VEHCTONMAFYMRN-UHFFFAOYSA-N 305.294 1.720 5 40 DDBB COC(=O)c1cnc(NC[C@@H]2CC(=O)N[C@H](C)C2)c([N+](=O)[O-])c1 585140996 NJTVBWSKQFGEHB-BDAKNGLRSA-N 322.321 1.103 5 40 DDBB Nc1nc(S[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n[nH]1 67428350 ICOZECMZHBXLMC-VIFPVBQESA-N 320.334 1.193 5 40 DDBB NC(=O)[C@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 69897066 ZLXRQHQRQYOIPO-CYBMUJFWSA-N 320.349 1.263 5 40 DDBB C[C@@H](C[S@](C)=O)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F 95942197 SASGUGWJYKZRKB-HXNGOWOSSA-N 317.342 1.965 5 40 DDBB O=[N+]([O-])c1ccc(N2CCN(Cc3cncs3)CC2)nc1 96489667 FFQYQOLUZZSWTH-UHFFFAOYSA-N 305.363 1.769 5 40 DDBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCCC1 5392389 VQHVESJSAWNTQP-UHFFFAOYSA-N 305.334 1.667 5 40 DDBB Cc1cc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc(=O)[nH]1 8556385 GJEOBSVJNZCPHE-UHFFFAOYSA-N 320.330 1.717 5 40 DDBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NCC(F)(F)F 3329391 IZFNWPMWYQFGOQ-UHFFFAOYSA-N 306.196 1.430 5 40 DDBB Cc1c(C(=O)OCC(=O)NC(=O)NC(C)C)cccc1[N+](=O)[O-] 3311400 KCIRDFUZGRRAFH-UHFFFAOYSA-N 323.305 1.294 5 40 DDBB O=c1[nH]c2ccccc2c2nnc(Cc3ccccc3)c(=O)n12 12863392 QZMYJDTVTKWNOF-UHFFFAOYSA-N 304.309 1.522 5 40 DDBB CCOC(=O)c1ccc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 15443117 ADEPOMVYKKOHQI-UHFFFAOYSA-N 321.333 1.473 5 40 DDBB O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@](O)(C(F)(F)F)C1 71921215 RQPLMWOBCCYNQP-NSHDSACASA-N 322.214 1.873 5 40 DDBB CC(C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C 40536241 YZFFGHPFBZXNAH-CYBMUJFWSA-N 307.350 1.828 5 40 DDBB CN(c1ccccc1)c1nc(N)c([N+](=O)[O-])c(NCCO)n1 5183233 RIQCUORRZCTUGA-UHFFFAOYSA-N 304.310 1.139 5 40 DDBB COC(=O)[C@@H]1C[C@H](OC)CN1CCc1ccc([N+](=O)[O-])cc1 95959999 UBKOMJHZGMHGMB-KBPBESRZSA-N 308.334 1.400 5 40 DDBB Cc1cnc(N2CCO[C@](C)(c3cnn(C)c3)C2)c([N+](=O)[O-])c1 89580196 LCSSGYUDCYEISF-HNNXBMFYSA-N 317.349 1.784 5 40 DDBB COC(=O)c1sccc1NC(=O)Cn1cnc([N+](=O)[O-])c1 26124138 HAPTVYGTUYRCNR-UHFFFAOYSA-N 310.291 1.278 5 40 DDBB CC(C)CN1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 12780803 DTAPIMZDKHEYQP-HNNXBMFYSA-N 321.377 1.681 5 40 DDBB CCCc1[nH]nc(C(=O)NC[C@H](O)C2CCCCC2)c1[N+](=O)[O-] 71890759 GMHGXVCCONKWLM-LBPRGKRZSA-N 324.381 1.941 5 40 DDBB COc1cccc(-c2nnc(SCC(=O)O)n2C)c1[N+](=O)[O-] 228931011 RCCOMXUSGYVLNP-UHFFFAOYSA-N 324.318 1.576 5 40 DDBB COc1ccc(CCNC(=O)Cn2cc(C)c([N+](=O)[O-])n2)cc1 94993197 YAGMUDDWXHDKQP-UHFFFAOYSA-N 318.333 1.467 5 40 DDBB COCCNc1ccc(C(=O)O[C@@H](C)C(C)=O)cc1[N+](=O)[O-] 19422310 DSTKZYNUJPMCNO-JTQLQIEISA-N 310.306 1.787 5 40 DDBB COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)cc([N+](=O)[O-])c1O 70083 HWYBYFLJBWEJRU-LHLIQPBNSA-N 300.292 1.097 5 40 DDBB CCN1CCO[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 78966443 SCHKRKRYJPTSJJ-CQSZACIVSA-N 305.334 1.205 5 40 DDBB CCS(=O)(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 15443048 GFGALLGZYPTNFM-UHFFFAOYSA-N 300.336 1.225 5 40 DDBB COCCN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 69516640 MZBDBHOAMZISIO-LBPRGKRZSA-N 307.350 1.293 5 40 DDBB COc1cc(CN2CCC[C@H]([C@@H](C)N)C2)cc([N+](=O)[O-])c1O 97162651 QBSXFIDYHQASER-PWSUYJOCSA-N 309.366 1.868 5 40 DDBB C[C@H](CN(C)C(=O)c1c([N+](=O)[O-])cnn1C)c1nccs1 97108155 FZKVYNNDLMDWDA-MRVPVSSYSA-N 309.351 1.661 5 40 DDBB C[C@@H]1CCOCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] 95459984 NTIDIKQCZYYHPM-SNVBAGLBSA-N 304.306 1.218 5 40 DDBB COc1ccc(Nc2nc(N(C)C)nc(N)c2[N+](=O)[O-])cc1 5069589 NCJLRTFHOCMWIS-UHFFFAOYSA-N 304.310 1.785 5 40 DDBB CS(=O)(=O)c1ccc(N2CCC[C@@H]2C(=O)O)c([N+](=O)[O-])c1 15443693 CVQBYXIPWRZGJO-SNVBAGLBSA-N 314.319 1.052 5 40 DDBB CCOCCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 21713050 NMYVPQITLRIOHI-UHFFFAOYSA-N 317.319 1.192 5 40 DDBB COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](NC(C)=O)C1 89954666 CZQCVAASFNKQKP-CYBMUJFWSA-N 307.350 1.846 5 40 DDBB O=[N+]([O-])c1ccc(N2CCN(CCCn3ccnc3)CC2)nc1 96493100 AUIHMVGQHGFJFC-UHFFFAOYSA-N 316.365 1.399 5 40 DDBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(F)(F)F 8902438 OSDDPGBWKAIVBU-UHFFFAOYSA-N 319.239 1.932 5 40 DDBB Nc1c(C(=O)O)cc(I)cc1[N+](=O)[O-] 71255744 YQSZKBWEUQFLAM-UHFFFAOYSA-N 308.031 1.480 5 40 DDBB CCCNC(=O)[C@H](C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 18149382 QJGCZUQKDBPRIE-VIFPVBQESA-N 309.322 1.248 5 40 DDBB O=C(NCc1ccco1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10326834 BLNARSPDQHGJSL-UHFFFAOYSA-N 307.237 1.582 5 40 DDBB CCOC(=O)C[C@@H](C[N+](=O)[O-])[C@H](C)NC(=O)OC(C)(C)C 38538656 RBYSIEDDVZUONA-UWVGGRQHSA-N 304.343 1.746 5 40 DDBB CCOC(=O)C1CCN(c2ncnc(Cl)c2[N+](=O)[O-])CC1 40571233 MMBCFJRVLWLMEY-UHFFFAOYSA-N 314.729 1.818 5 40 DDBB O=C(NC1=NCCS1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12428572 SOBWJZDLDHUIIZ-UHFFFAOYSA-N 311.279 1.727 5 40 DDBB O=C(NCC(=O)N1CCCCC1)Nc1cccc([N+](=O)[O-])c1 46518626 WOZPOTLYEBLHHB-UHFFFAOYSA-N 306.322 1.729 5 40 DDBB CNC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C 1332925 IFAUYXYLODMYFQ-UHFFFAOYSA-N 307.335 1.228 5 40 DDBB COC(=O)c1cc(OC(=O)c2ccccc2[N+](=O)[O-])n(C)n1 6505089 YCGCTWIAFJJCPT-UHFFFAOYSA-N 305.246 1.334 5 40 DDBB CC(=O)Nc1ccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1 76556604 AARNRWUOZBHHJO-UHFFFAOYSA-N 317.305 1.847 5 40 DDBB C[C@@H]1[C@@H](OC[C@H](O)C[N+]2(C)CCOCC2)[C@H]2CC[C@H]1C2(C)C 245240433 RYESREMBPRLDBC-MZBWOGCUSA-N 312.474 1.911 5 40 DDBB NS(=O)(=O)c1cccc(NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1[N+](=O)[O-] 252585420 IKXVMQZCSAEJBO-OSTYVCCYSA-N 323.374 1.699 5 40 DDBB O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 96007000 VRRXWEMSXMTELI-CQSZACIVSA-N 311.297 1.740 5 40 DDBB CCN1CCN(c2c(OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 45886657 VIXGASRMBPKJQT-UHFFFAOYSA-N 310.310 1.654 5 40 DDBB C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(S(C)(=O)=O)CC1 24509227 GGVADTMNHRDZLJ-LLVKDONJSA-N 313.379 1.233 5 40 DDBB CCN1C[C@H](CN(C)C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])Oc2ccccc21 48364754 BBCCMERGBBIIHZ-SCRDCRAPSA-N 319.361 1.398 5 40 DDBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(C)c2)cc1OC 24585194 ZMMFYDPNGONMHH-UHFFFAOYSA-N 320.305 1.988 5 40 DDBB O=C(C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccncc1 5722443 YLAAGNVVOHQUNG-HNNXBMFYSA-N 313.269 1.403 5 40 DDBB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 84344444 RNNLBJLEAPROEX-XCRNYIDWSA-N 307.281 1.081 5 40 DDBB CC(C)(C)c1nnc2[nH]nc(-c3cccc([N+](=O)[O-])c3)n2c1=O 102476727 SONNSVTZQVNBLT-UHFFFAOYSA-N 314.305 1.685 5 40 DDBB O=[N+]([O-])c1cccnc1NCCNS(=O)(=O)c1ccccc1 12821493 GGOPSKDFNMFDDF-UHFFFAOYSA-N 322.346 1.380 5 40 DDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCOCC1CC1 8941576 IXXNBQSSXKEVRW-UHFFFAOYSA-N 314.363 1.690 5 40 DDBB CCC(N)(CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C 97229195 RLDLGTVNRXNHHY-UHFFFAOYSA-N 315.395 1.699 5 40 DDBB CCOC(=O)c1c[nH]c(C(N)=O)c1-c1ccc([N+](=O)[O-])cc1 11919381 XNZWLLZZNJYEEE-UHFFFAOYSA-N 303.274 1.866 5 40 DDBB Cc1ccc(OCCNCCN2CCOCC2)c([N+](=O)[O-])c1 8752992 KRFBTVDEAYRQAS-UHFFFAOYSA-N 309.366 1.204 5 40 DDBB Cn1cc([C@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 72304739 GBMMJTWVIAQMQC-GFCCVEGCSA-N 305.294 1.183 5 40 DDBB COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@H](C2)[N+](C)(C)CC[C@@]341 100571331 MLIBORQWQWVNCO-RLPAKPQBSA-N 314.405 1.646 5 40 DDBB COc1nc(OC)nc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 2117848 MWEXNRYJCOPUQO-UHFFFAOYSA-N 323.221 1.498 5 40 DDBB O=C(CCNc1nc2sccn2c1[N+](=O)[O-])N1CCCC1 36390309 XXVLBDWFQZVTFZ-UHFFFAOYSA-N 309.351 1.728 5 40 DDBB CCOC(=O)c1cnn(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 2617570 OALOHDPNQBFHDE-UHFFFAOYSA-N 318.289 1.757 5 40 DDBB O=[N+]([O-])c1ccccc1CN(C1CC1)[C@H]1CCS(=O)(=O)C1 71892935 LZWXUILKVIUREH-ZDUSSCGKSA-N 310.375 1.746 5 40 DDBB Cc1nc(NC(=O)c2ccc3c(c2)nnn3C)ccc1[N+](=O)[O-] 89536983 JRMFWOYBIBAXPI-UHFFFAOYSA-N 312.289 1.832 5 40 DDBB O=[N+]([O-])c1cccc([C@@H](O)Cn2nnc(-c3cccnc3)n2)c1 95432543 AMYLYMISIFIPAR-ZDUSSCGKSA-N 312.289 1.377 5 40 DDBB CCN(CCCNc1ccccc1[N+](=O)[O-])S(C)(=O)=O 38035978 MYZZORQHSSTUSM-UHFFFAOYSA-N 301.368 1.678 5 40 DDBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)N1CCO[C@@H](C)C1 31460763 XLTNFYWWDOBYEW-NSHDSACASA-N 308.334 1.838 5 40 DDBB NC(=O)c1ccc(CN(C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 44944622 RSBHRWKJOFLEJO-NSHDSACASA-N 319.361 1.695 5 40 DDBB O=C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 8780541 HRILCMHPRCILSM-UHFFFAOYSA-N 303.240 1.940 5 40 DDBB O=[N+]([O-])c1c(I)n[nH]c1C(F)(F)F 953126688 LDKXORSTKCGTQS-UHFFFAOYSA-N 306.969 1.941 5 40 DDBB CC[N+](C)(CC)C[C@H](O)COC[C@H]1COc2ccccc2O1 2692834 SZEZZCJEWYJFKE-GJZGRUSLSA-N 310.414 1.690 5 40 DDBB CONC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 69457032 HCPWFHAQDQMFNR-LBPRGKRZSA-N 307.306 1.185 5 40 DDBB COc1cc(NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1F 89420819 JZVJCGJVHJFEOP-UHFFFAOYSA-N 311.273 1.199 5 40 DDBB CC(C)OCCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 32804255 XUBYWOQVJGCGAG-UHFFFAOYSA-N 316.379 1.829 5 40 DDBB CC[C@@H](C)[C@@H](CO)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] 71920881 WKRQDHAEICEHBO-NXEZZACHSA-N 306.322 1.422 5 40 DDBB COc1nonc1OCCCNc1ccc([N+](=O)[O-])c(N)c1 5127858 MBONHDKJDFPTDC-UHFFFAOYSA-N 309.282 1.450 5 40 DDBB O=C(NCCn1cc([N+](=O)[O-])cn1)NC1Cc2ccccc2C1 97377425 KCOGMKSYANRISZ-UHFFFAOYSA-N 315.333 1.258 5 40 DDBB COCCNc1cc(NCCOC)c([N+](=O)[O-])cc1[N+](=O)[O-] 4409780 GGWYJHOQHGAZOU-UHFFFAOYSA-N 314.298 1.620 5 40 DDBB Cc1ccc(C)n1N(CC(=O)O)C(=O)c1ccc([N+](=O)[O-])cc1 34776648 VBCHBYZZSFTRQL-UHFFFAOYSA-N 317.301 1.876 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H]1C[C@@H]1C 6641737 JUXJDAGQBDFDSO-WPRPVWTQSA-N 308.290 1.741 5 40 DDBB O=[N+]([O-])c1ccc2nc(N3CCS(=O)(=O)CC3)ccc2c1 95409592 YRWXBAAYYWTLHO-UHFFFAOYSA-N 307.331 1.378 5 40 DDBB COCc1nc2n(n1)CCC[C@@H]2Nc1ncc(C)cc1[N+](=O)[O-] 95415161 YRYLBMBGASXWBQ-JTQLQIEISA-N 318.337 1.983 5 40 DDBB COc1ncccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 68187029 AJMFNXSZASMFAD-UHFFFAOYSA-N 317.301 1.807 5 40 DDBB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 5344337 JMXOQCQHCGXZBB-RHYQMDGZSA-N 304.258 1.188 5 40 DDBB O=C(Nc1ccc(-n2cncn2)nc1)c1ccc([N+](=O)[O-])cc1 24746183 CJGKGBCTTZZRFJ-UHFFFAOYSA-N 310.273 1.823 5 40 DDBB C[C@H]1CO[C@H](C)CN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 106116003 NKZAHOFJPWWWHT-NWDGAFQWSA-N 317.349 1.920 5 40 DDBB Cc1cnn(-c2nc(N3CCOCC3)nc(C)c2[N+](=O)[O-])c1 4853946 VHGLHKBRUFVAMC-UHFFFAOYSA-N 304.310 1.024 5 40 DDBB CC(=O)c1ccc(N2CCCN(CCO)CC2)c([N+](=O)[O-])c1 69565751 HRASNZIWZHRXCC-UHFFFAOYSA-N 307.350 1.302 5 40 DDBB Cc1[nH]nc(C(=O)NCc2nc3ccccc3n2C)c1[N+](=O)[O-] 69812892 VATDJOBQRMLRJL-UHFFFAOYSA-N 314.305 1.443 5 40 DDBB Cc1cnc(N2CCCN(CCN(C)C)CC2)c([N+](=O)[O-])c1 95403367 ITPVVKUWZYLGNA-UHFFFAOYSA-N 307.398 1.372 5 40 DDBB COCc1nn(Cc2nc3cc([N+](=O)[O-])ccc3o2)c(=O)o1 95448551 YODVKELMCUFNRJ-UHFFFAOYSA-N 306.234 1.080 5 40 DDBB O=C1c2ccccc2S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1 2627450 FEEPYZGZJFLONU-UHFFFAOYSA-N 318.310 1.940 5 40 DDBB CN(C)C(=O)CN1CCCN(c2ccccc2[N+](=O)[O-])CC1 80947295 MYKAOFNGUJYTKS-UHFFFAOYSA-N 306.366 1.195 5 40 DDBB Cc1ccnc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 95433686 SJNWYEPKCNVQCY-LLVKDONJSA-N 300.322 1.779 5 40 DDBB C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[S@](C)=O 97095540 PHANIIOSRNCOHY-ZDVLTJLQSA-N 304.755 1.745 5 40 DDBB CCN1CCN(c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)CC1 5518184 QKBASGJRCXVZMP-UHFFFAOYSA-N 316.361 1.589 5 40 DDBB COc1ccc(C(=O)N[C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] 47931505 FESKEMGXOZAFPA-SNVBAGLBSA-N 304.306 1.618 5 40 DDBB O=C1c2ccccc2S(=O)(=O)N1Cc1cccc([N+](=O)[O-])c1 22101473 TTWXFKVWCUSCNB-UHFFFAOYSA-N 318.310 1.940 5 40 DDBB CNS(=O)(=O)c1ccc(N2CCSCC2)c([N+](=O)[O-])c1 48562013 PEMFBWSDDIGXPH-UHFFFAOYSA-N 317.392 1.056 5 40 DDBB C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc12)N1CCOCC1 71913872 WPUWWWWFONZAFO-NSHDSACASA-N 317.349 1.671 5 40 DDBB CCOC(=O)CN1CCO[C@H](COc2cccc([N+](=O)[O-])c2)C1 217501518 WTEPUZXLELTKJT-AWEZNQCLSA-N 324.333 1.238 5 40 DDBB COc1cccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1O 4180423 WHTWQZXNVNSSCA-AATRIKPKSA-N 305.246 1.268 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CCCCCCC1 10452600 JXUIUZHYLMSOPX-UHFFFAOYSA-N 307.350 1.986 5 40 DDBB Cc1c(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cnn1C 2767965 LEWFJMXSOQMJGG-VMPITWQZSA-N 300.318 1.966 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 24432902 KNWOICBTUHIDNV-LLVKDONJSA-N 300.336 1.442 5 40 DDBB CCOC(=O)c1cnc(Sc2ccc([N+](=O)[O-])cn2)nc1N 2161373 VUTUSUIHBVUSNU-UHFFFAOYSA-N 321.318 1.690 5 40 DDBB COCCNc1ccc(C(=O)O[C@H](C)C(C)=O)cc1[N+](=O)[O-] 19422312 DSTKZYNUJPMCNO-SNVBAGLBSA-N 310.306 1.787 5 40 DDBB CC1=C(C(=O)N(C)C)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 5559265 REMRVFYQOGVWDF-LBPRGKRZSA-N 304.306 1.311 5 40 DDBB CC[C@](C)(NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(=O)O 95424540 BKQMCQVPTWYAEL-ZDUSSCGKSA-N 312.326 1.168 5 40 DDBB C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)Oc1ccccc1 70905364 OUEPGVMYQHECJS-LBPRGKRZSA-N 318.333 1.765 5 40 DDBB CS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1cccc([N+](=O)[O-])c1 96519623 VURWUQARYSZEJN-QMMMGPOBSA-N 314.146 1.804 5 40 DDBB CN(CC(F)F)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 96500063 YPVQIRFVEWVYMP-UHFFFAOYSA-N 308.306 1.664 5 40 DDBB CCCC[N+](C)(C)CCOC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 5352025 RWVYUOWFWURPRQ-KHMAMNHCSA-N 310.414 1.604 5 40 DDBB CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc[nH]c1=O 31387184 ALXHQVCRZFEHQE-UHFFFAOYSA-N 301.302 1.945 5 40 DDBB O=C(CN1C(=O)CSC1=O)OCc1ccccc1[N+](=O)[O-] 408602201 BADBJNMMGKSXSQ-UHFFFAOYSA-N 310.287 1.333 5 40 DDBB O=c1[nH]cnc2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c12 17039871 ZEJGCXNBJDSBSF-UHFFFAOYSA-N 303.303 1.847 5 40 DDBB CC(C)(C)C(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154197 XWXQGHSUVINEJM-UHFFFAOYSA-N 306.366 1.989 5 40 DDBB CC(=O)N1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 51154553 KJFBLERIDVLFPB-UHFFFAOYSA-N 307.350 1.528 5 40 DDBB Nc1nc(NCCCc2nnc3ccccn23)ncc1[N+](=O)[O-] 75091841 DALSGJYKIIIAHC-UHFFFAOYSA-N 314.309 1.054 5 40 DDBB C[N@@+]1([O-])[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 261506608 HGWPFSBHDACWNL-JFBPSJKJSA-N 305.374 1.944 5 40 DDBB in-man Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(Cc2ccccc2)n1 44471094 FPYPCVXRXJFOAM-CHWSQXEVSA-N 300.318 1.844 5 40 DDBB NC(=O)CC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 40542677 OWHPGPKQJHGHLA-UHFFFAOYSA-N 305.334 1.251 5 40 DDBB C[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])N1CCOCC1 33081274 RBQQQIBGBLVOKZ-YBJDMEARSA-N 319.361 1.445 5 40 DDBB Cc1c(CN2C(=O)N[C@]3(CCSC3)C2=O)cccc1[N+](=O)[O-] 44944245 QJNKVIJBWJESPL-AWEZNQCLSA-N 321.358 1.831 5 40 DDBB Cc1ccc(Nc2nc(NCCO)nc(N)c2[N+](=O)[O-])cc1C 4306075 RDRWRIJZVLRTFF-UHFFFAOYSA-N 318.337 1.732 5 40 DDBB CC(C)(C)NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 6214862 OKMNUXAUHVIIRM-UHFFFAOYSA-N 319.317 1.496 5 40 DDBB Cc1ccc(NC(=O)CSc2nnnn2C)c([N+](=O)[O-])c1 4979745 JBYJEHQRKYWCGV-UHFFFAOYSA-N 308.323 1.158 5 40 DDBB COCCn1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 95350462 FXVFXNQGAKKBNA-UHFFFAOYSA-N 306.278 1.396 5 40 DDBB O=C(NCc1ccc(=O)[nH]c1)c1c(Cl)cccc1[N+](=O)[O-] 95979962 GITKGAVHLHKZNI-UHFFFAOYSA-N 307.693 1.867 5 40 DDBB COC(=O)c1cc(OC(=O)c2cccc([N+](=O)[O-])c2)nn1C 408560572 DKXCMRSUIBCLQZ-UHFFFAOYSA-N 305.246 1.334 5 40 DDBB CS(=O)(=O)c1cc(Cl)c(/C=C/C(=O)O)c([N+](=O)[O-])c1 44214757 OQGHIOZRZOZORX-NSCUHMNNSA-N 305.695 1.750 5 40 DDBB C[C@@H](O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 4381586 JNJKESDXZNNJBX-MRVPVSSYSA-N 300.270 1.725 5 40 DDBB Cc1nc2nc(NCc3cccc([N+](=O)[O-])c3)nn2c(O)c1C 18219908 FCKUUJPWIGPUAC-UHFFFAOYSA-N 314.305 1.967 5 40 DDBB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 7737459 QQNXLKTYBGYGPH-UHFFFAOYSA-N 324.296 1.943 5 40 DDBB Cc1cc(=O)n2c(n1)SC[C@@]2(O)c1ccc([N+](=O)[O-])cc1 15228476 CLYGSKXLMJQPAM-CYBMUJFWSA-N 305.315 1.259 5 40 DDBB CN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 6120045 IKHNBJUXFXPDRR-UHFFFAOYSA-N 301.302 1.415 5 40 DDBB O=[N+]([O-])c1ccc(CN2CCC(N3CCOCC3)CC2)cc1 4703482 FQICIXJGFNPVGQ-UHFFFAOYSA-N 305.378 1.891 5 40 DDBB CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]1C(=O)O 15443691 CRSNXNMNACHFNO-JTQLQIEISA-N 314.319 1.052 5 40 DDBB O=C(NC1CCN(CC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 68280765 FWVAXAZVIMLHEN-HUUCEWRRSA-N 309.410 1.813 5 40 DDBB CCc1c(C(=O)Cn2ncc([N+](=O)[O-])c2N)[nH]c(C)c1C(C)=O 75110115 YEUXOUURMMCFEM-UHFFFAOYSA-N 319.321 1.658 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nc2nccc(C)n2n1 12886690 PQBHPNADNPYFGG-UHFFFAOYSA-N 312.289 1.902 5 40 DDBB CCN(CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C 10327845 NIQNWURETXSLKH-UHFFFAOYSA-N 322.365 1.300 5 40 DDBB Cc1nn(C)c(N(C)C[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] 47331250 LIFLFLMJJVMPED-NSHDSACASA-N 318.333 1.913 5 40 DDBB CCN(CC(=O)NC[C@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] 97679535 MGMBLEVPRQHANI-CQSZACIVSA-N 321.377 1.712 5 40 DDBB Cc1nnc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)s1 58175621 TWXVKIIHMVUDSP-UHFFFAOYSA-N 304.291 1.883 5 40 DDBB C[C@@H]1C[C@@H]1COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 58308913 APSRSNWYZIMRSK-MWLCHTKSSA-N 302.290 1.988 5 40 DDBB CN1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 28630256 SSMCTLJGEYQFHN-UHFFFAOYSA-N 309.391 1.602 5 40 DDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 229800455 LPJNBUUGOGAAKR-LPWJVIDDSA-N 316.269 1.046 5 40 DDBB CCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 58046392 IAMVNCARHFOUGV-UHFFFAOYSA-N 301.368 1.133 5 40 DDBB CC(C)(C)NC(=O)CNC(=O)CNc1ccccc1[N+](=O)[O-] 48308804 RQNIEJQSSUHEFB-UHFFFAOYSA-N 308.338 1.038 5 40 DDBB COc1ccc(C(=O)NCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] 9581469 QKYWQTZTQVYBLR-UHFFFAOYSA-N 309.322 1.248 5 40 DDBB CCCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C1=O 409228150 URHWVKUALZUSRI-UXBLZVDNSA-N 321.289 1.612 5 40 DDBB O=C(NC[C@H](O)CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1 40554345 ANTUMCIJAMFPLP-ZDUSSCGKSA-N 308.338 1.173 5 40 DDBB C[C@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 222253376 YTEDFCBCFDCRDW-NOXHYTERSA-N 314.297 1.818 5 40 DDBB O=c1[nH]c2ccc3c(=O)n(-c4nccs4)c(=O)c4ccc1c2c34 11691486 KCTYZJRIYGPYNQ-UHFFFAOYSA-N 321.317 1.678 5 40 DDBB O=C(CNC(=O)c1ccco1)OCc1ccc([N+](=O)[O-])cc1 1868138 RPGIMNAMJFJZDA-UHFFFAOYSA-N 304.258 1.661 5 40 DDBB O=C(O)/C=C/c1cc(/C=C/C(=O)O)c([N+](=O)[O-])cc1[N+](=O)[O-] 3845116 NBDUJRHQDFHGFZ-ZPUQHVIOSA-N 308.202 1.699 5 40 DDBB C[C@@H](CN(C)C(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)O 95425216 PYRXJFKCQHHIKA-JTQLQIEISA-N 309.322 1.576 5 40 DDBB Cc1nc(-c2cccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])c2)no1 555313559 UMYHFJHVAPLDSE-UHFFFAOYSA-N 314.261 1.929 5 40 DDBB Cc1ccccc1[C@H](O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 79028471 KKNLDYFFBDZOLW-CQSZACIVSA-N 318.333 1.340 5 40 DDBB CCCn1nnc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 32118803 SCDMQGZBIBWBCL-UHFFFAOYSA-N 321.253 1.152 5 40 DDBB Cc1ccnc(NC[C@@H](CO)Cc2cnn(C)c2)c1[N+](=O)[O-] 585142413 WQMLGDDGVJTJPO-LBPRGKRZSA-N 305.338 1.295 5 40 DDBB O=C(O)CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 13210782 JWDHOGOFSKVYJC-UHFFFAOYSA-N 307.306 1.400 5 40 DDBB NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 4891530 GVCGBQXGMSJVQW-FLIBITNWSA-N 301.258 1.444 5 40 DDBB Cc1cc(-c2nnc(CN3CCOCC3)o2)ccc1[N+](=O)[O-] 20458747 WRTHRLAKERVCMI-UHFFFAOYSA-N 304.306 1.785 5 40 DDBB C[C@@H]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C 6120201 MPQYKYFTJHPPKZ-NQBHXWOUSA-N 307.350 1.697 5 40 DDBB CN1CC[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1=O 75143199 GBFWVGFXVZGKED-JOAKQRRISA-N 307.281 1.094 5 40 DDBB CC[C@@H](NCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 96492291 QFPRBGDQAZSELT-CQSZACIVSA-N 307.350 1.494 5 40 DDBB CCOC(=O)COc1ccc(C2OCCCO2)cc1[N+](=O)[O-] 226794513 MJXHNWGJCHAOFX-UHFFFAOYSA-N 311.290 1.972 5 40 DDBB O=[N+]([O-])c1ccc(CCN2CCN(C[C@@H]3CCCO3)CC2)cc1 71907935 FNRHAMBRUGLUQW-KRWDZBQOSA-N 319.405 1.934 5 40 DDBB C[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H]1C 97082687 YKKQNJRAOBRAMJ-ZJUUUORDSA-N 313.379 1.725 5 40 DDBB CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 69369115 NLJJXMDOHJWZKK-CYBMUJFWSA-N 305.334 1.644 5 40 DDBB CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C1=O 409168284 PTJNVPUQLIRQLD-WEVVVXLNSA-N 307.262 1.222 5 40 DDBB CCC(CC)(CN)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 225477892 OFBYWHPGINMDFD-UHFFFAOYSA-N 315.395 1.699 5 40 DDBB CCCCCC(=O)N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O 5199382 YPRYKZSBHJQETG-LLVKDONJSA-N 324.333 1.993 5 40 DDBB C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1Cl 48222776 LJYDBIJYIBFXPE-MRVPVSSYSA-N 309.713 1.717 5 40 DDBB Cc1cccc(Nc2nc(NCCCN)nc(N)c2[N+](=O)[O-])c1 4305926 HCZDSMLFXWOEFP-UHFFFAOYSA-N 317.353 1.780 5 40 DDBB COC(=O)c1cc(C(=O)Nc2nnc(C)s2)cc([N+](=O)[O-])c1 5712772 LWBOHFXDODKXIC-UHFFFAOYSA-N 322.302 1.794 5 40 DDBB CN(C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1Cl 5912442 WHRYLEDBEHILIP-UHFFFAOYSA-N 300.746 1.338 5 40 DDBB O=C(OCC1CCN(CC(F)(F)F)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 77944560 IOAGGIGSQZJAPK-ZJUUUORDSA-N 310.272 1.469 5 40 DDBB NC(=O)C[C@H](Nc1cccc(F)c1[N+](=O)[O-])C1CCOCC1 96494555 NDCRDXDASMKUOE-LBPRGKRZSA-N 311.313 1.816 5 40 DDBB CCOC(=O)C[C@H](C)CNc1ncc([N+](=O)[O-])c(NC2CC2)n1 95444773 HFPDZVLHEHUCGH-VIFPVBQESA-N 323.353 1.960 5 40 DDBB CC(C)(C)NS(=O)(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 20666755 WEOFSJXYVSYEGA-UHFFFAOYSA-N 324.362 1.857 5 40 DDBB CCOC(=O)c1nc(CCn2nc(C)c([N+](=O)[O-])c2C)no1 12399091 XDAPZNGGQHEUPX-UHFFFAOYSA-N 309.282 1.211 5 40 DDBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccco2)c1 8433687 ZYLOMTUGFBLUPS-UHFFFAOYSA-N 320.257 1.992 5 40 DDBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1snnc1C(=O)O 8694221 AEPVJJFXPKHYKZ-UHFFFAOYSA-N 309.263 1.789 5 40 DDBB O=C([C@@H]1CCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48250376 ZDPDAQDJIANYGM-AWEZNQCLSA-N 305.334 1.422 5 40 DDBB Cc1ccc(NC(=O)CSc2nncn2C)cc1[N+](=O)[O-] 3396759 AMQGELDEFWUOIQ-UHFFFAOYSA-N 307.335 1.763 5 40 DDBB CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(C)C2=O)c1O 409192275 WEECSDZQBICAKH-WEVVVXLNSA-N 307.262 1.222 5 40 DDBB O=C(CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O)NC1CC1 96232551 HRTZLGNEZKSTIF-UHFFFAOYSA-N 316.317 1.364 5 40 DDBB Cc1cc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc(=O)[nH]1 4314724 VGALUCJWWFCSPX-UHFFFAOYSA-N 320.330 1.717 5 40 DDBB CC(=O)c1ccc[n+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 3362608 VXCRDJSHDJRZLT-UHFFFAOYSA-N 315.305 2.000 5 40 DDBB CC(=O)N1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 36393893 RWEUAUZLABEZLM-UHFFFAOYSA-N 309.351 1.727 5 40 DDBB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 101356526 FRGLHYCBNUERGJ-GVAFMPQTSA-N 314.297 1.818 5 40 DDBB O=C(NC[C@@H]1CCCO1)c1ccc2nc3ccccc3c(=O)n2c1 57477752 BNNXDJNPMHXXBK-ZDUSSCGKSA-N 323.352 1.757 5 40 DDBB Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(NC3CCCC3)cc21 1505840601 DYZMDTNWPIFPEU-UHFFFAOYSA-N 318.333 1.500 5 40 DDBB O=C([C@@H]1CC=CCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 33111086 LAGLHDODHNKXHN-CYBMUJFWSA-N 316.361 1.995 5 40 DDBB Cc1nc2n(n1)CCN(c1nc3sccn3c1[N+](=O)[O-])C2 72312241 KUKSZOZHOUDOCF-UHFFFAOYSA-N 305.323 1.224 5 40 DDBB Cc1ccc(Cc2nnc3[nH]c4ccccc4c(=O)n3c2=O)cc1 103789790 RBHAEVOMLSZLEF-UHFFFAOYSA-N 318.336 1.830 5 40 DDBB C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 63193853 XMLLJYVDYSZIRC-MFKMUULPSA-N 313.379 1.485 5 40 DDBB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])s1 5706408 JPBWYJNCYGGSKF-SNVBAGLBSA-N 311.319 1.847 5 40 DDBB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc([N+](=O)[O-])cn1C 21839889 ILTDLHDREOBWOH-JQWIXIFHSA-N 323.349 1.785 5 40 DDBB Cc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1[N+](=O)[O-] 6846506 NMQFQPGLXXDHLN-SNAWJCMRSA-N 318.245 1.358 5 40 DDBB CC(C)[C@H](C(=O)Nc1ccncc1[N+](=O)[O-])N1CCCC1=O 67168702 BLSKNMZYDYDODL-CYBMUJFWSA-N 306.322 1.575 5 40 DDBB C[C@@H](Sc1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 7813910 NHJWBXDEHROIEM-MRVPVSSYSA-N 307.335 1.843 5 40 DDBB O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C=C[C@H](CO)C1 81487627 AIUHTYZCDZHTHZ-QWHCGFSZSA-N 305.334 1.374 5 40 DDBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cnn(C)c1 25305544 WHKRWQYJFQOEEQ-SECBINFHSA-N 317.305 1.085 5 40 DDBB C[C@@H]1CN(C[C@H]2CCCN2c2ncc([N+](=O)[O-])cn2)C[C@@H](C)O1 195570848 GIFDVNLPQKWKKR-JHJVBQTASA-N 321.381 1.463 5 40 DDBB O=Cc1ccc2oc3nc4n(c(=O)c3c(=O)c2c1)CCCS4 529641 WGKAOZLRNKSJLH-UHFFFAOYSA-N 314.322 1.811 5 40 DDBB COC(=O)C[C@H](C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 78985323 VNRSZSBFPOEJIU-LBPRGKRZSA-N 307.350 1.668 5 40 DDBB Cc1nc(N2CCOCC2)nc(N2CCCC[C@H]2C)c1[N+](=O)[O-] 4170766 XWUQCZBIVMKEQO-LLVKDONJSA-N 321.381 1.909 5 40 DDBB CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1N 189978662 ZTCTWQFHKPWWMQ-JTQLQIEISA-N 321.255 1.562 5 40 DDBB COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCCC3)c(=O)oc12 4475984 VMCPLMQRRGETID-UHFFFAOYSA-N 318.285 1.946 5 40 DDBB CCn1ncc(CN(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)c1C 2777984 IHKTYFSECPQJNX-UHFFFAOYSA-N 320.353 1.434 5 40 DDBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 100186060 YALSXDFXEYVAAF-ZDEQEGDKSA-N 316.269 1.046 5 40 DDBB C[C@@H]1C[C@@H]1C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 97046796 XVLPQELVSYBDCM-YPMHNXCESA-N 319.361 1.392 5 40 DDBB Cn1cc(C[C@@H]2CCN(c3cc(CO)ccc3[N+](=O)[O-])C2)cn1 95993857 PHQRBGYMRDLMBK-LBPRGKRZSA-N 316.361 1.890 5 40 DDBB Cc1nc(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)cs1 89709099 JTUKPFHFHDLIFG-UHFFFAOYSA-N 324.366 1.098 5 40 DDBB CCOC(=O)c1ccc(Sc2nncn2N)c([N+](=O)[O-])c1 70462343 VBSLRBRSWQVKTN-UHFFFAOYSA-N 309.307 1.228 5 40 DDBB Cc1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)cc([N+](=O)[O-])c1 194009331 STZIZBXWEOBCBC-QWHCGFSZSA-N 321.377 1.430 5 40 DDBB Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2ccccc2[C@@H]1CO 97097647 YZMNBVIAJSHYOS-ZDUSSCGKSA-N 316.317 1.060 5 40 DDBB CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1=O 96429542 JZMXLVUXPOFTJT-SNVBAGLBSA-N 314.139 2.000 5 40 DDBB CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@]1(C)CCS(=O)(=O)C1 4505137 KNHNLAVXKADGHI-CYBMUJFWSA-N 312.347 1.244 5 40 DDBB Cc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 58044999 JOFBSYIBGNNQRA-SNVBAGLBSA-N 313.335 1.212 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1ccsc1=N 6582574 XFWSTEWPUBICTE-UHFFFAOYSA-N 308.319 1.585 5 40 DDBB C[C@H]1C[C@@H]1C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 97046797 XVLPQELVSYBDCM-AAEUAGOBSA-N 319.361 1.392 5 40 DDBB COC(=O)[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2)C1 45958691 KTLONIJWONTZQG-JTQLQIEISA-N 307.306 1.028 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 13562605 BVLNLBMVGURYKE-RNJOBUHISA-N 300.270 1.346 5 40 DDBB CNS(=O)(=O)c1cccc(CNc2ncccc2[N+](=O)[O-])c1 32923580 ZBNKVEOVXAABDM-UHFFFAOYSA-N 322.346 1.510 5 40 DDBB Cc1nc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 71882340 TYGPUJWBYYMGDW-MRVPVSSYSA-N 321.362 1.818 5 40 DDBB CN1CC[C@H](CN(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 96430909 SDTBKGAOVJMIRB-ZDUSSCGKSA-N 320.393 1.441 5 40 DDBB O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOc3ccccc3C2)c1 76082578 YCSFAGZCRGOKIZ-AWEZNQCLSA-N 318.333 1.047 5 40 DDBB CNc1cc(N2CCN(C(C)=O)CC2)c(Cl)cc1[N+](=O)[O-] 45221434 SQZHXJZIZAPVIK-UHFFFAOYSA-N 312.757 1.958 5 40 DDBB CCS(=O)(=O)N(C)CCCNc1cccc(F)c1[N+](=O)[O-] 57138574 YVXYGCUWLIBWJF-UHFFFAOYSA-N 319.358 1.817 5 40 DDBB Cc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])n1C 79042775 UTYQEZGVCWUVKB-UHFFFAOYSA-N 302.334 1.970 5 40 DDBB Cc1ccc(S(=O)(=O)N[C@@H](CN)CC(C)C)c([N+](=O)[O-])c1 95432090 MQBHTOQPIXYHGK-LLVKDONJSA-N 315.395 1.555 5 40 DDBB NC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 97229426 PWRXCQIDMVLOHI-SECBINFHSA-N 319.770 1.264 5 40 DDBB Cc1ccc(S(=O)(=O)NCc2ccnn2C)cc1[N+](=O)[O-] 30595980 MMBXCYHZWPFUAA-UHFFFAOYSA-N 310.335 1.115 5 40 DDBB O=[N+]([O-])c1ccn(CCc2nc3c4ccccc4ncn3n2)n1 2806358 BDYLNFUWINBHPQ-UHFFFAOYSA-N 309.289 1.625 5 40 DDBB Cc1nnc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1C1CC1 97113160 XPFQVLXIUCZYLP-UHFFFAOYSA-N 319.296 1.899 5 40 DDBB C[C@@H](O)CC(C)(C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 87425063 NTGBFQVQIVCWCW-SNVBAGLBSA-N 312.370 1.440 5 40 DDBB Cc1cc(S(=O)(=O)N(C)c2cnn(C)c2)ccc1[N+](=O)[O-] 96421256 IOQNORWZFFBFCP-UHFFFAOYSA-N 310.335 1.462 5 40 DDBB CCN(CC)[C@@H](CC(=O)OC)C(=O)Nc1ccccc1[N+](=O)[O-] 4653646 XAFPJIKXKTUQSV-ZDUSSCGKSA-N 323.349 1.807 5 40 DDBB COCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 2710669 NUYTYSHVOYKTIL-UHFFFAOYSA-N 306.274 1.468 5 40 DDBB COc1cc([C@H]2N[C@H](C(=O)O)CS2)cc([N+](=O)[O-])c1OC 70074 PKVVJOTVEOPTFQ-CPCISQLKSA-N 314.319 1.400 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCc1cnn(C)c1 40556155 VUPDRNGIYGFQTD-UHFFFAOYSA-N 307.310 1.009 5 40 DDBB Cc1noc(C)c1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 26483094 FDXLJQUHDZIWMU-UHFFFAOYSA-N 317.349 1.917 5 40 DDBB Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)[nH]c(=O)c2c1C 26122606 UNRHMFJISBDAKD-UHFFFAOYSA-N 305.319 1.754 5 40 DDBB COC(=O)Oc1c([N+](=O)[O-])cc2oc(=O)sc2c1[N+](=O)[O-] 2186720 BXVKBNPNUFOKOS-UHFFFAOYSA-N 316.203 1.816 5 40 DDBB biogenic C[C@@H](OC(=O)C1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 24935811 KLXYFKQMZBGUQE-SNVBAGLBSA-N 322.317 1.892 5 40 DDBB C[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 114156912 HOTHFYFSLVLRHY-NWJSVONSSA-N 300.270 1.428 5 40 DDBB C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCCO1 27895776 VHLZRLCLRLKOJO-UFBFGSQYSA-N 309.278 1.800 5 40 DDBB C[C@H]1C[C@H](C)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 28199730 BJCBSTOQBDSRIV-RYUDHWBXSA-N 319.361 1.829 5 40 DDBB C[C@@H]1CC[C@H](C(N)=O)CN1CCOc1ccccc1[N+](=O)[O-] 69617143 NWPKJPDCRKWPNX-NEPJUHHUSA-N 307.350 1.559 5 40 DDBB C[C@@H](C(=O)O)n1nc([N+](=O)[O-])cc1I 953107829 NFTZNJKZARZOLX-VKHMYHEASA-N 311.035 1.042 5 40 DDBB COC(=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 205750595 MBHKSFJKLGLODL-UXBLZVDNSA-N 322.298 1.804 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)n2nc3ccccc3n2)cc1 8867310 POMMUMXKKCRZHG-UHFFFAOYSA-N 304.287 1.577 5 40 DDBB Cc1[nH]nc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1[N+](=O)[O-] 78996934 OPSOYTLJWVFTQK-QWRGUYRKSA-N 302.290 1.014 5 40 DDBB NC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 79099423 QZWMXCBEQMQFOW-QWHCGFSZSA-N 305.334 1.759 5 40 DDBB COc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC2)cc1OC 59497751 BFHQNXJCQZVMQF-UHFFFAOYSA-N 316.335 1.397 5 40 DDBB COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)[N+](C)(C)CC[C@]314 1851012 MLIBORQWQWVNCO-RVJFBUOYSA-N 314.405 1.646 5 40 DDBB biogenic COC(=O)c1c(C)nn2cc(-c3[nH]ncc3[N+](=O)[O-])cnc12 20295310 FEACPGLSOVJTFY-UHFFFAOYSA-N 302.250 1.123 5 40 DDBB CCN(CC)c1nc(N)c([N+](=O)[O-])c(NC[C@H]2CCCO2)n1 5176951 CKXDSDMTLIKBOL-SECBINFHSA-N 310.358 1.404 5 40 DDBB Cc1nc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)no1 195531300 JNCCIOXMOBAHLX-MRVPVSSYSA-N 305.294 1.847 5 40 DDBB CCCCS(=O)(=O)NCCNc1ccccc1[N+](=O)[O-] 48903711 QJPOZBBLFXRDPF-UHFFFAOYSA-N 301.368 1.726 5 40 DDBB O=CNc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1566892 USWQIHLATJXVMT-UHFFFAOYSA-N 306.299 1.996 5 40 DDBB O=[N+]([O-])c1ccc(N2CCS(=O)CC2)cc1OC(F)F 97009498 FZRANADUYKYOFY-UHFFFAOYSA-N 306.290 1.765 5 40 DDBB O=[N+]([O-])c1cc(I)n(CC(F)(F)F)n1 953061402 QJSNKLAQVUGZCZ-UHFFFAOYSA-N 320.996 1.958 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCC1=CCCCC1 6119869 NFBVMXYDSKAGKR-UHFFFAOYSA-N 305.334 1.763 5 40 DDBB O=C(OCC(=O)N1CCc2ccccc21)c1ccc([N+](=O)[O-])o1 3233130 WGTWMTFPGRTFSB-UHFFFAOYSA-N 316.269 1.934 5 40 DDBB Cc1ncncc1C(=O)NCCNc1ccccc1[N+](=O)[O-] 65439846 MCNBIJPUJSNERU-UHFFFAOYSA-N 301.306 1.535 5 40 DDBB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1 3844163 CLHDCAMYENPKES-NSHDSACASA-N 307.331 1.561 5 40 DDBB biogenic O=C(NCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])o1 30363486 QCYNNIGKJOEUAU-UHFFFAOYSA-N 315.329 1.976 5 40 DDBB O=C1N[C@]2(CCSC2)C(=O)N1Cc1csc([N+](=O)[O-])c1 54426990 WDKGFOXSXFVODE-NSHDSACASA-N 313.360 1.584 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(O)CC1 23993143 TYSQXQHWSPIFSZ-JTQLQIEISA-N 323.349 1.387 5 40 DDBB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1[N+](=O)[O-] 1515323 DEQDDHVXZUEETG-NSHDSACASA-N 307.331 1.561 5 40 DDBB O=C([C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)N1CCOCC1 14330968 XJFZSVIUVLSVGP-GFCCVEGCSA-N 320.349 1.065 5 40 DDBB CCOC(=O)[C@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 5939482 PMJDPLHEINXMLV-NSHDSACASA-N 321.333 1.473 5 40 DDBB Cc1nn(CCC(=O)N2C[C@@H](C)OC(C)(C)C2)c(C)c1[N+](=O)[O-] 69655695 JLXFJQBRUDVQCK-SNVBAGLBSA-N 324.381 1.824 5 40 DDBB COc1nc(OC)nc(Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)n1 8684282 IMYIETUJQGZVGC-UHFFFAOYSA-N 323.221 1.498 5 40 DDBB COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N2CCCCC2)c1 43926843 FHJBLZOIFIUKNM-UHFFFAOYSA-N 322.317 1.773 5 40 DDBB O=C(Cc1noc([C@H]2C[C@@H]2[N+](=O)[O-])n1)Nc1ccc(F)cc1 95394458 LCWAXCFLHYXSJT-UWVGGRQHSA-N 306.253 1.523 5 40 DDBB CCN(CC)C(=O)COC(=O)c1ccc(NC)c([N+](=O)[O-])c1 4509136 WXNLJVFFEVXOLP-UHFFFAOYSA-N 309.322 1.662 5 40 DDBB O=C(NC1CCN(Cc2ccccc2F)CC1)[C@H]1C[C@H]1[N+](=O)[O-] 58424399 QGBNUGCTZIMADX-DZGCQCFKSA-N 321.352 1.572 5 40 DDBB Cc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1[N+](=O)[O-] 31089901 MKRHKFORRUMDKY-UHFFFAOYSA-N 317.301 1.656 5 40 DDBB CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 32921862 JVHUYAFISWIQDA-LLVKDONJSA-N 323.349 1.494 5 40 DDBB O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 323749 NEGZMRXQWUTVEF-VIFPVBQESA-N 314.319 1.080 5 40 DDBB CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC(O)=NC1=O 87225418 HROQRLSBXNOSSC-LBPRGKRZSA-N 319.317 1.631 5 40 DDBB CN(CC(=O)NC1CC1)c1ccc([N+](=O)[O-])c2cccnc12 42655953 ABLHQNRDSMOKHV-UHFFFAOYSA-N 300.318 1.858 5 40 DDBB Cc1nn(C)c(NCC2=Nc3ccccc3CN2)c1[N+](=O)[O-] 78869516 YDPGYYLJHJKMIQ-UHFFFAOYSA-N 300.322 1.882 5 40 DDBB Cc1ccc(Cn2ccs/c2=N\C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1 102791809 XSTUVDAWWKNVCV-CRQJOFGKSA-N 317.370 1.999 5 40 DDBB C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 14220841 JMIKSBBXZQEPBL-JOYOIKCWSA-N 300.336 1.441 5 40 DDBB CC(C)NS(=O)(=O)c1ccc(N[C@H](C)CO)c([N+](=O)[O-])c1 32809703 QKBLLXCLWBTROW-SECBINFHSA-N 317.367 1.074 5 40 DDBB CN(CCc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1N 195566540 PPCRMNUPKRHZSR-UHFFFAOYSA-N 300.318 1.887 5 40 DDBB CCCc1[nH]nc(C(=O)NC[C@H]2CCN(CCC)C2)c1[N+](=O)[O-] 96414344 ZDWMAVJZYDHLPT-LLVKDONJSA-N 323.397 1.732 5 40 DDBB Nc1ncnc(NCCOC(=O)Nc2ccccc2)c1[N+](=O)[O-] 5603210 GVKBCRJZYZRCDM-UHFFFAOYSA-N 318.293 1.628 5 40 DDBB O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnccn1 95469745 XVXFWOLALRTZIQ-UHFFFAOYSA-N 316.273 1.798 5 40 DDBB O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(CCOCC2)C1 75541742 LSQHQADBTNCOJB-UHFFFAOYSA-N 306.318 1.943 5 40 DDBB CCN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O 409229983 BEBWTLDAPXGMQG-WEVVVXLNSA-N 321.289 1.525 5 40 DDBB Cc1cc(S(=O)(=O)N[C@H](CN)CC(C)C)ccc1[N+](=O)[O-] 96483359 AVUMKJNKELKDQV-NSHDSACASA-N 315.395 1.555 5 40 DDBB O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1C[C@@H]1[N+](=O)[O-] 106869748 FYGOPLWBHSLLPV-NRUUGDAUSA-N 311.288 1.325 5 40 DDBB CNc1ccc(C(=O)N[C@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] 69528488 NHRMGUYXDWTXSU-SNVBAGLBSA-N 320.349 1.377 5 40 DDBB Cc1noc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)n1 95442749 SBTCXQADVJJOFM-UHFFFAOYSA-N 305.294 1.328 5 40 DDBB CCCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 36329926 WYJZSKJPZCQMFO-UHFFFAOYSA-N 313.379 1.311 5 40 DDBB CCCc1[nH]nc(C(=O)NCCCn2ccnc2C)c1[N+](=O)[O-] 69600627 DCNPMLGJTQGNIO-UHFFFAOYSA-N 320.353 1.595 5 40 DDBB O=c1cc(COc2cccnc2[N+](=O)[O-])nc2sccn12 5970939 OYQJTTATKHARTN-UHFFFAOYSA-N 304.287 1.638 5 40 DDBB Cn1cccc1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 97143901 MINUGCVONYZXRN-LLVKDONJSA-N 305.290 1.740 5 40 DDBB Cc1ccnc(N2CCN(C3=NC[C@@H](C)S3)CC2)c1[N+](=O)[O-] 78400570 VESWPHCUUSIDGY-LLVKDONJSA-N 321.406 1.912 5 40 DDBB O=C(c1[nH]nc([N+](=O)[O-])c1Br)N1CCSCC1 1082921 VVPUIXBEKZYZDU-UHFFFAOYSA-N 321.156 1.269 5 40 DDBB Cc1ccc([C@@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1C 48355144 BMDPKCASJHXHDR-LLVKDONJSA-N 303.322 1.681 5 40 DDBB O=c1c2cccnc2ncn1CCOc1ccc([N+](=O)[O-])cc1 71799410 KPHSLZFSOSBESF-UHFFFAOYSA-N 312.285 1.779 5 40 DDBB Cc1[nH]nc(C(=O)NC[C@@H](O)c2ccccc2Cl)c1[N+](=O)[O-] 77631867 LKXJLMGTQMBNQQ-SNVBAGLBSA-N 324.724 1.743 5 40 DDBB COC(=O)[C@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 11225332 ORQXOBSJXMKGOQ-QMMMGPOBSA-N 308.290 1.887 5 40 DDBB COC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 24723824 XNLKQSLTQGBJIA-CYBMUJFWSA-N 308.334 1.841 5 40 DDBB COC(=O)C(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 36764115 MJPTZTSJKVDDGP-UHFFFAOYSA-N 300.698 1.930 5 40 DDBB C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 70173611 ULXDDFPSOYJUID-QWRGUYRKSA-N 313.379 1.343 5 40 DDBB COc1cccc(S(=O)(=O)CCn2cc([N+](=O)[O-])cn2)c1 69420582 WIADBXAJRMVNDK-UHFFFAOYSA-N 311.319 1.274 5 40 DDBB O=C1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CN1 72230539 BKUTUVTVFKOROS-ZETCQYMHSA-N 312.713 1.648 5 40 DDBB NC(=O)c1cnn(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 95444808 IZLCOKPINVQWKX-UHFFFAOYSA-N 313.273 1.594 5 40 DDBB CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(C)nc(N(C)C)n1 192893017 CWKRIQJEKDXFPZ-UHFFFAOYSA-N 319.369 1.896 5 40 DDBB CCOCCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 5688372 FHSDINIAXQJCOS-UHFFFAOYSA-N 302.352 1.837 5 40 DDBB Cc1ccc(C(=O)NCCNc2cnccn2)cc1[N+](=O)[O-] 40505004 NIJNEGOHXCHXED-UHFFFAOYSA-N 301.306 1.535 5 40 DDBB Cc1nn(C)cc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 375568 BLZQCWATNSDCNL-VMPITWQZSA-N 300.318 1.966 5 40 DDBB O=C1NCCN1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 52216197 BKWJZVKWLKRTTF-UHFFFAOYSA-N 304.350 1.584 5 40 DDBB Cc1nc(C)n(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 96009494 QHCAGTZMTCUURG-UHFFFAOYSA-N 310.335 1.277 5 40 DDBB O=[N+]([O-])c1ncn(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)n1 96008307 DYPUWEGLWLNFFA-UHFFFAOYSA-N 323.675 1.608 5 40 DDBB CCOC(=O)[C@H]1C[C@H](O)CN1c1nc(Cl)ccc1[N+](=O)[O-] 97694362 JLOMWJOYFROIGR-IONNQARKSA-N 315.713 1.146 5 40 DDBB O=C(Nc1cccnc1N1CCSCC1)[C@H]1C[C@@H]1[N+](=O)[O-] 51988308 SCGNQMCMBAENPE-ONGXEEELSA-N 308.363 1.239 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 12693084 JNLIMDSTFTXPFY-TXEJJXNPSA-N 307.350 1.951 5 40 DDBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cnn(-c2ncccn2)c1 72291555 UHRNIYZBJIGPJE-UHFFFAOYSA-N 324.300 1.752 5 40 DDBB CCc1cc(C(=O)N2CCN(CC)CC2)c(OC)c([N+](=O)[O-])c1 72206677 RIPJMVFHGWVXFU-UHFFFAOYSA-N 321.377 1.944 5 40 DDBB CCOc1cccc([N+](=O)[O-])c1C(=O)NCCn1cc(C)cn1 225559799 AXIFDDYYOFQKAH-UHFFFAOYSA-N 318.333 1.928 5 40 DDBB Cc1cc(=O)n(Cc2cc(=O)n3ccsc3n2)cc1[N+](=O)[O-] 96474501 INNKDMADOOQFGK-UHFFFAOYSA-N 318.314 1.183 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 101103906 DWBRKRTWHDOAPE-LMOYCYGVSA-N 314.297 1.736 5 40 DDBB COCC(=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)s1 1348915 JOQQNYMWHXCWKO-UHFFFAOYSA-N 308.319 1.723 5 40 DDBB COC(=O)C(C)(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 23152654 QCICWHUCTILZQB-UHFFFAOYSA-N 300.698 1.930 5 40 DDBB Cn1c(SCCOC(N)=O)nnc1-c1ccc([N+](=O)[O-])cc1 4966565 ZQEAPJPGULXCPZ-UHFFFAOYSA-N 323.334 1.578 5 40 DDBB O=C(NCCCNc1ncccn1)c1cccc([N+](=O)[O-])c1 42757559 ZHDCKEZFLITIBB-UHFFFAOYSA-N 301.306 1.617 5 40 DDBB Cc1cc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])n(Cc2ccccc2)n1 44471097 FPYPCVXRXJFOAM-QWHCGFSZSA-N 300.318 1.844 5 40 DDBB Nc1nc(N2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] 58244937 XUXGCLKDXQPCEA-UHFFFAOYSA-N 300.322 1.294 5 40 DDBB CC(C)C[C@H](C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2454795 AGYCESFEZUQKOV-SNVBAGLBSA-N 306.274 1.690 5 40 DDBB O=[N+]([O-])c1ccn(C[C@@H](O)COc2cccc3[nH]ccc23)n1 195545774 KUHQLJFDHJKQSH-SNVBAGLBSA-N 302.290 1.713 5 40 DDBB O=c1oc2ccccc2c(N2CCN3CCC[C@H]3C2)c1[N+](=O)[O-] 245380413 YJHHLAQOEDTDTM-NSHDSACASA-N 315.329 1.986 5 40 DDBB O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@H]1CO 81487623 FKZLIKNROYHYKC-DZGCQCFKSA-N 321.377 1.988 5 40 DDBB CN1CCO[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 161972205 XDGSXEWKTMOTOX-HNNXBMFYSA-N 319.361 1.416 5 40 DDBB Nc1nc(Nc2ccc(Cl)cc2)nc(NCCO)c1[N+](=O)[O-] 9328705 SSPAXTRGMHANAL-UHFFFAOYSA-N 324.728 1.768 5 40 DDBB Nc1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] 69369872 SJTPHCLACZVKLU-CYBMUJFWSA-N 318.377 1.877 5 40 DDBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(C(N)=O)c[nH]1 75103942 ASMQZOCHIZZAOB-UHFFFAOYSA-N 302.290 1.294 5 40 DDBB NC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 36266620 RMIANUDJEGVZSM-UHFFFAOYSA-N 313.379 1.535 5 40 DDBB CS(=O)(=O)c1nccn1Cc1ccc([N+](=O)[O-])cc1Cl 96500990 XTLLYFWEEPWORL-UHFFFAOYSA-N 315.738 1.897 5 40 DDBB O=c1[nH]c(O)nc2c1ncn2Sc1ccccc1[N+](=O)[O-] 5898902 IKQHHCYRFXFYDE-UHFFFAOYSA-N 305.275 1.289 5 40 DDBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cnc2n(c1=O)CCS2 211303 VMCUJBIBIDWMGP-UHFFFAOYSA-N 318.314 1.510 5 40 DDBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCO1 3442557 RUXPAAUZRGNUKO-JTQLQIEISA-N 314.725 1.922 5 40 DDBB O=C(NCCNC(=O)c1ccccc1[N+](=O)[O-])c1ccco1 4714832 QGYKNYJMLWPJKK-UHFFFAOYSA-N 303.274 1.348 5 40 DDBB CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 80610838 HRVBLEHUANKGJK-UHFFFAOYSA-N 307.350 1.800 5 40 DDBB CCCn1nnnc1COC(=O)c1ccc(OC)c([N+](=O)[O-])c1 8155203 JCCHAISKOFKSJK-UHFFFAOYSA-N 321.293 1.357 5 40 DDBB C=CS(=O)(=O)N(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)C=C 35587997 ZQOWUUACUWHTSX-UHFFFAOYSA-N 318.332 1.348 5 40 DDBB O=C1CCc2cc(C(=O)Cn3cnc([N+](=O)[O-])n3)c(F)cc2N1 53836163 PHZMQEUECHPKRL-UHFFFAOYSA-N 319.252 1.093 5 40 DDBB COc1ccc([C@H]2C([N+](=O)[O-])=C(N)Oc3[nH]nc(C)c32)cc1 481916 YXHFZODRYRFMBM-LLVKDONJSA-N 302.290 1.656 5 40 DDBB CCOc1cc([C@H]2N[C@H](C(=O)O)CS2)cc([N+](=O)[O-])c1O 35013 QPACWPZFGHPYJU-CPCISQLKSA-N 314.319 1.487 5 40 DDBB CNc1ccc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] 47287010 YWRWDGPMZJUEIH-ZIAGYGMSSA-N 318.377 1.993 5 40 DDBB CCC(N)(CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 95431206 WLRZKFITWSLWRD-UHFFFAOYSA-N 301.368 1.391 5 40 DDBB COC(=O)c1oc(=O)c2c(O)c3c(=O)cc(C)oc3cc2c1O 6069573 JSQAILNRMPHAGO-UHFFFAOYSA-N 318.237 1.406 5 40 DDBB biogenic CN(CC(=O)NC(=O)NC1CC1)Cc1ccccc1[N+](=O)[O-] 32825447 VGAGZNPDAKXGFB-UHFFFAOYSA-N 306.322 1.015 5 40 DDBB COC(=O)[C@](C)(Cl)CS(=O)(=O)c1ccccc1[N+](=O)[O-] 35323625 FTOBSTQBIQDHFX-LLVKDONJSA-N 321.738 1.539 5 40 DDBB CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13632650 AOPOPPQPMNSLKB-CHWSQXEVSA-N 314.363 1.519 5 40 DDBB CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cnnc1[S@@](C)=O 71899893 XPCXNCXALHTYKZ-QFIPXVFZSA-N 324.362 1.759 5 40 DDBB CC[C@@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCO1 58561016 ARNHVVPDJSVOSZ-LLVKDONJSA-N 314.363 1.703 5 40 DDBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC(=O)NC1 72062969 BJGDYHAWSOUAPP-UWVGGRQHSA-N 323.374 1.470 5 40 DDBB COc1ccc(S(=O)(=O)NCc2ccccn2)cc1[N+](=O)[O-] 7736593 VDUZKNJQRLVMBV-UHFFFAOYSA-N 323.330 1.477 5 40 DDBB C[C@@H]1C[C@H]1C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 97046798 XVLPQELVSYBDCM-DGCLKSJQSA-N 319.361 1.392 5 40 DDBB COc1ccc(OC)c(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c1 33936301 UTNWYYIFHLOKJK-UTCJRWHESA-N 319.273 1.571 5 40 DDBB C[C@H](CN1CCCC1=O)NC(=O)c1cc(F)ccc1[N+](=O)[O-] 59594450 SPOZWUMFJPHRAC-SECBINFHSA-N 309.297 1.475 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@H]([C@H]2CCOC2)N2CCCC2)nc1 48301260 NIVMVRMPASJWCZ-GXTWGEPZSA-N 306.366 1.903 5 40 DDBB C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)n1ccnc1 20437059 UKSREIPTSUUFCH-GFCCVEGCSA-N 315.333 1.970 5 40 DDBB Cc1nn(CCC(=O)N2C[C@H](C)OC(C)(C)C2)c(C)c1[N+](=O)[O-] 69655694 JLXFJQBRUDVQCK-JTQLQIEISA-N 324.381 1.824 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1SC(=N)NC1=O 18283603 WHIHWUQALHFZGL-SECBINFHSA-N 308.319 1.398 5 40 DDBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@H]1CCO 37895911 GMQLQDMCXZMSBP-NSHDSACASA-N 314.363 1.520 5 40 DDBB O=[N+]([O-])[C@H]1C=Cn2c(OCc3ccc(Cl)nc3)cnc2O1 514282363 XUBXHDXUMFHBMU-SNVBAGLBSA-N 308.681 1.976 5 40 DDBB Cc1nc(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 195531299 JNCCIOXMOBAHLX-QMMMGPOBSA-N 305.294 1.847 5 40 DDBB Cc1ccccc1-c1noc(=O)n1CCn1cc([N+](=O)[O-])cn1 96444866 HNGHHDVQTVOJOM-UHFFFAOYSA-N 315.289 1.617 5 40 DDBB O=C(O)C[C@H](n1cc(-n2cc([N+](=O)[O-])cn2)cn1)C(F)(F)F 685936635 MLBLAARVUDMOPR-QMMMGPOBSA-N 319.199 1.555 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1C(=O)Nc2ncnn21 20745069 OZEWNVJOBXCJGQ-SNVBAGLBSA-N 316.277 1.017 5 40 DDBB O=[N+]([O-])c1cnc2c(c1)CN(Cc1nnc(C3CC3)o1)CC2 97110158 QSFHBJPXBSYWPD-UHFFFAOYSA-N 301.306 1.809 5 40 DDBB O=c1[nH]c2ccccc2c(=O)n1CCc1ccc([N+](=O)[O-])cc1 67256636 NORFCTSDXRTZRF-UHFFFAOYSA-N 311.297 1.841 5 40 DDBB CCS(=O)(=O)C[C@H](C)N(C)c1ccc(F)cc1[N+](=O)[O-] 69847999 DKGTUAQXHNHHGQ-VIFPVBQESA-N 304.343 1.993 5 40 DDBB O=C(O)/C=C\C(=O)Nc1nnc(-c2ccccc2[N+](=O)[O-])o1 215868110 HPDBLOYEWIKJEP-WAYWQWQTSA-N 304.218 1.224 5 40 DDBB O=c1c([N+](=O)[O-])c(-n2cnc3ccccc32)nc2ccccn12 37162662 NXACLIYDRIVUND-UHFFFAOYSA-N 307.269 1.942 5 40 DDBB CN1CCN(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 4746337 HKCMXEYMCSZKNH-UHFFFAOYSA-N 318.421 1.807 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])cn1)NCCc1nc2ccccc2[nH]1 1429945 KNZSEPOIFBQUHV-UHFFFAOYSA-N 314.305 1.027 5 40 DDBB C[N+]1(C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CCOCC1 16975558 ARSJZTIZCMBRDU-AWDGRILASA-N 310.458 1.810 5 40 DDBB CCn1ccc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 20602026 IYYCZNRBTSRLSA-UHFFFAOYSA-N 324.362 1.632 5 40 DDBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)NCC(F)(F)F 47605017 HJALCVUTSQXHLW-VIFPVBQESA-N 307.228 1.490 5 40 DDBB CCONC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] 58430545 CMBMPVYPTMVILN-UHFFFAOYSA-N 314.294 1.310 5 40 DDBB CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 5559267 REMRVFYQOGVWDF-GFCCVEGCSA-N 304.306 1.311 5 40 DDBB O=[N+]([O-])c1ccc(Sc2nnnn2C2CCOCC2)nc1 69535122 MNGNIRMVSJRHAK-UHFFFAOYSA-N 308.323 1.479 5 40 DDBB CCOC(=O)C1=C(C)N(N)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 408731027 JZSZEHYMTJCPJM-LBPRGKRZSA-N 320.305 1.372 5 40 DDBB C[N@+]1([O-])[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 255214902 HGWPFSBHDACWNL-QYXWGXCQSA-N 305.374 1.944 5 40 DDBB in-man O=C(O)/C=C\C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] 32666610 ZMFAFRFJTWPINJ-ARJAWSKDSA-N 315.079 1.937 5 40 DDBB C[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 101137832 HOTHFYFSLVLRHY-OHTBPHCPSA-N 300.270 1.428 5 40 DDBB Cc1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1CCO 11905777 BJXWPBBAAHMVJW-UHFFFAOYSA-N 321.358 1.814 5 40 DDBB CN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O 12974704 MJGBUGAKXWTXMF-UHFFFAOYSA-N 305.265 1.694 5 40 DDBB Cc1nnc(SCC(=O)Nc2ncc([N+](=O)[O-])s2)s1 9047681 KKSAZAOTAFJDTC-UHFFFAOYSA-N 317.377 1.942 5 40 DDBB COC(=O)C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC1 4653652 QMHCVEVRRBKFQI-ZDUSSCGKSA-N 321.333 1.561 5 40 DDBB Cn1cccc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 16813085 HJJMBJXTXQHONO-UHFFFAOYSA-N 303.274 1.389 5 40 DDBB O=c1[nH]c(O)nc(/C=C\c2ccc(O)c(Cl)c2)c1[N+](=O)[O-] 32687743 ZUUNMDBGCNUXNB-IWQZZHSRSA-N 309.665 1.913 5 40 DDBB Nc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] 78025831 OMLKCROUJLMXCB-LLVKDONJSA-N 319.239 1.316 5 40 DDBB COC(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 16183981 WBYXFNZNLFMFOJ-UHFFFAOYSA-N 322.317 1.915 5 40 DDBB Nc1cc(N)nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 4959810 USXFVAOETRKTCF-UHFFFAOYSA-N 320.334 1.280 5 40 DDBB CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(=O)[nH]c1 48179840 DGMXMJHPVGZJOT-UHFFFAOYSA-N 301.302 1.945 5 40 DDBB Cc1nc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(O)c3)C2)n1C 84271561 IZEBGGSTESUAAR-ZDUSSCGKSA-N 318.333 1.920 5 40 DDBB Cc1cc(N2CCC[C@H](CN3CCOCC3)C2)ncc1[N+](=O)[O-] 74750771 JVSRBNDTMSYFTE-CQSZACIVSA-N 320.393 1.847 5 40 DDBB COC(=O)c1cnc(NC[C@H]2CC(=O)N[C@H](C)C2)c([N+](=O)[O-])c1 585141001 NJTVBWSKQFGEHB-RKDXNWHRSA-N 322.321 1.103 5 40 DDBB CCCC[N+](C)(C)CCCOC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 104090156 BOWFDXSUABGSFT-RBZJEDDUSA-N 324.441 1.994 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@@H](O)COCc2ccccc2)cn1 95398333 PVXAJARWGAREQU-CQSZACIVSA-N 303.318 1.979 5 40 DDBB Cn1ccs/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 23684817 DDVZIAJIHMPKQE-QXMHVHEDSA-N 308.275 1.644 5 40 DDBB COCCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 71886533 PZGUGNBHXNCFAQ-LBPRGKRZSA-N 307.350 1.354 5 40 DDBB Cc1c(CCNC(=O)c2cccc([N+](=O)[O-])c2O)cnn1C 89544727 LTIXSLGPMCCBIC-UHFFFAOYSA-N 304.306 1.315 5 40 DDBB CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1[N+](=O)[O-] 189037468 HSSJUAMUDWBKIB-CYBMUJFWSA-N 305.334 1.582 5 40 DDBB O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 169617015 WDHWVBYYVWBZGG-KKOKHZNYSA-N 320.688 1.691 5 40 DDBB O=[N+]([O-])c1ccc(S[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 3156161 MKVSQVODZNLFHI-MRVPVSSYSA-N 318.332 1.782 5 40 DDBB O=C(NC[C@@H]1COCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 54616769 VFLLYPVWYJMGIH-GFCCVEGCSA-N 321.333 1.314 5 40 DDBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCNc1cnccn1 56486297 IBRDDMNATZLVKE-SNAWJCMRSA-N 313.317 1.626 5 40 DDBB O=C1O[C@H](C[N+](=O)[O-])C(Br)=C1Br 101463311 RMFHBULWNVLASE-UWTATZPHSA-N 300.890 1.190 5 40 DDBB O=C(Nc1cnc(-c2cccc(O)c2)nc1)[C@H]1C[C@H]1[N+](=O)[O-] 69975726 HKJZTJSCHWUIPC-NWDGAFQWSA-N 300.274 1.453 5 40 DDBB Cc1nn(Cc2nc(-c3ccncc3)no2)c(C)c1[N+](=O)[O-] 1422151 WVESJKZMGVHFRZ-UHFFFAOYSA-N 300.278 1.901 5 40 DDBB COc1ccccc1CNc1ncc([N+](=O)[O-])cc1C(N)=O 40504977 MJYPHJBTLZFHPF-UHFFFAOYSA-N 302.290 1.709 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C(N)=O)CC1 78387996 BOHSVNUUBQQJPW-UHFFFAOYSA-N 322.321 1.333 5 40 DDBB Cc1nn(Cc2nc3c4ccccc4ncn3n2)cc1[N+](=O)[O-] 2806513 SYTOXFFKSRKYEH-UHFFFAOYSA-N 309.289 1.739 5 40 DDBB NC(=O)c1ccc(NC[C@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 12735845 NOYGQHHUYRKERA-SNVBAGLBSA-N 319.317 1.550 5 40 DDBB C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1ccc([N+](=O)[O-])cc1 95397348 OLNJNXYFYDEDBS-SWLSCSKDSA-N 321.377 1.710 5 40 DDBB C[C@@H](c1cnn(C)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O 119012285 KGHSBKRNHUAHFS-VIFPVBQESA-N 304.306 1.867 5 40 DDBB CC(=O)c1cccc(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)c1 75582328 MQYQOEOBTBBFCO-UHFFFAOYSA-N 315.285 1.598 5 40 DDBB O=C1Nc2ccccc2/C1=C\c1nc(O)c([N+](=O)[O-])c(O)n1 409341462 BAUZEYYVGVHGDX-FNORWQNLSA-N 300.230 1.289 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 78556524 VCOLOSIQHYBBQF-NWDGAFQWSA-N 319.321 1.180 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 15220031 GDYKLRVZRPIDKJ-RNJOBUHISA-N 300.270 1.346 5 40 DDBB Nc1nc(N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)ncc1[N+](=O)[O-] 110660083 VUSXIOKUFWSOIO-SDDRHHMPSA-N 318.381 1.278 5 40 DDBB Nc1nc(N2CCCCC2)nc(N2CCCCC2)c1[N+](=O)[O-] 5120482 BHXQRYDTNIWZKN-UHFFFAOYSA-N 306.370 1.948 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]2CCCC[C@@H]21 7020424 NCIBQSZCPOFXLS-JSGCOSHPSA-N 319.361 1.938 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])c1)NCCc1c[nH]c2ccccc12 25451826 UEDHGINQWQFHFZ-UHFFFAOYSA-N 313.317 1.632 5 40 DDBB C[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 12690288 NKFXJCZPSVITKB-ZCFIWIBFSA-N 308.323 1.414 5 40 DDBB Nc1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] 78025833 OMLKCROUJLMXCB-NSHDSACASA-N 319.239 1.316 5 40 DDBB Cn1cnc([N+](=O)[O-])c1NCCNC(=O)c1ccccc1Cl 29625346 VMVSXSBYKJUHQX-UHFFFAOYSA-N 323.740 1.824 5 40 DDBB Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2 8970858 CAGIWBNTCYYBRJ-JTQLQIEISA-N 300.274 1.461 5 40 DDBB CCCCn1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O 40398645 ZUFDEHATOKMZHM-UHFFFAOYSA-N 312.373 1.709 5 40 DDBB COCCNc1ccc(C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 22620742 YZIBGLOMGRESNK-LBPRGKRZSA-N 323.349 1.562 5 40 DDBB COCCNc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1[N+](=O)[O-] 12804457 RJZNUFUIAYPYNJ-VIFPVBQESA-N 323.305 1.091 5 40 DDBB NCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 63191052 CQKJRELQDCMKHR-UHFFFAOYSA-N 307.331 1.854 5 40 DDBB COC(=O)c1ccc(Cn2cc([N+](=O)[O-])c([N+](=O)[O-])n2)cc1 4294271 CXTVIHXKWSZXPT-UHFFFAOYSA-N 306.234 1.534 5 40 DDBB CC[C@@H](O)CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 84733550 YJIVJRTVUXKARS-GFCCVEGCSA-N 319.365 1.135 5 40 DDBB CN(C)C(=O)CN1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 29851270 DXICXIYNBJBWBX-UHFFFAOYSA-N 320.393 1.191 5 40 DDBB CCOC(=O)c1cnc(Sc2c([N+](=O)[O-])ncn2C)nc1N 13207647 IUVUVVYCJMGWQM-UHFFFAOYSA-N 324.322 1.028 5 40 DDBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C1=O 18067772 RCIPQFMRNBPBRC-NIFPGPBJSA-N 316.269 1.046 5 40 DDBB CN1CC[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 95466031 DSLQAEIOWRGEBH-IINYFYTJSA-N 304.350 1.224 5 40 DDBB Cc1[nH]nc(C(=O)NC[C@H](C)Nc2ccccc2)c1[N+](=O)[O-] 96449977 CQOMECRRNXJPQV-VIFPVBQESA-N 303.322 1.857 5 40 DDBB C[C@@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)CO1 54461379 NKZAHOFJPWWWHT-VXGBXAGGSA-N 317.349 1.920 5 40 DDBB Cc1nn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1[N+](=O)[O-] 12761669 IAPKJXRFSSYBNZ-UHFFFAOYSA-N 319.277 1.955 5 40 DDBB CNC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 40597151 DWOQJSDXYGPHQJ-LLVKDONJSA-N 313.379 1.215 5 40 DDBB O=C(CSc1nc2ccccc2[nH]1)Nc1nonc1[N+](=O)[O-] 12360106 ONUKNCQCUMUBLE-UHFFFAOYSA-N 320.290 1.585 5 40 DDBB COC(=O)c1ccoc1Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 79021230 GONUPXRKLLUQBR-UHFFFAOYSA-N 318.241 1.931 5 40 DDBB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 35168737 JCMCKDMBSHKVHO-GFCCVEGCSA-N 321.289 1.491 5 40 DDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 12907256 XEOPVXKVBRQTEH-UWVGGRQHSA-N 314.363 1.701 5 40 DDBB O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C=C[C@H](CO)C1 95976837 OWMDLGOBMBVIKA-GXSJLCMTSA-N 310.737 1.844 5 40 DDBB CCN1CCC(N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC1 69921252 BZNGFJIIOOMZBX-UHFFFAOYSA-N 321.377 1.916 5 40 DDBB COC(=O)c1cc(N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] 95466033 QPTKIYNOGJLBGG-XHDPSFHLSA-N 319.361 1.912 5 40 DDBB O=C(CNc1ccccc1[N+](=O)[O-])NCCCn1ccnc1 72285153 PKYNMMNWFCNTIL-UHFFFAOYSA-N 303.322 1.410 5 40 DDBB NC(=O)c1c(N)n(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12 226820023 BCXJSMSLUIUJGO-UHFFFAOYSA-N 324.296 1.919 5 40 DDBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@H]2CO)c1 103490231 RZQYBCXNCIZORR-KBPBESRZSA-N 310.350 1.181 5 40 DDBB Cc1cccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 53566014 KNILXLPUKLORDW-SNVBAGLBSA-N 312.347 1.162 5 40 DDBB CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc([N+](=O)[O-])cc1 54253803 KFGSRRBPJTWZRN-LBPRGKRZSA-N 307.306 1.171 5 40 DDBB Nc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] 47923741 FWVLHTSTQJHCTN-GXTWGEPZSA-N 305.334 1.961 5 40 DDBB CNC(=O)c1ccc(N(C)[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 72296176 KWMRUNXJMQHEHC-GFCCVEGCSA-N 306.366 1.485 5 40 DDBB O=[N+]([O-])c1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc1 409338003 BCXDBMPDWRSGSN-UTCJRWHESA-N 304.218 1.875 5 40 DDBB CCO[C@H](C)n1cc(I)c([N+](=O)[O-])n1 616567867 PBJMEHKSIXNJSM-RXMQYKEDSA-N 311.079 1.951 5 40 DDBB C[C@@H](NC(=O)NCc1ncnn1C)c1cccc([N+](=O)[O-])c1 76085617 MRXZDLUBLMDQBA-SECBINFHSA-N 304.310 1.284 5 40 DDBB CNc1ccc(CN2CCN(C(=O)N(C)C)CC2)cc1[N+](=O)[O-] 97032626 ZTVGMOWHCHBKEE-UHFFFAOYSA-N 321.381 1.436 5 40 DDBB Cn1cnc([N+](=O)[O-])c1N[C@@H](CO)Cc1c[nH]c2ccccc12 72296131 FZRZAZPTOOXIHP-LLVKDONJSA-N 315.333 1.825 5 40 DDBB CCN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 44901399 SFMXJUGKZGRLGB-UHFFFAOYSA-N 313.379 1.062 5 40 DDBB O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])OCCOCCOCCO2 5170701 COZTVNHODQGZFT-UHFFFAOYSA-N 314.250 1.307 5 40 DDBB CN1CCC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 95367650 WDBMCFQJCUMNKJ-CYBMUJFWSA-N 318.377 1.993 5 40 DDBB NCC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 70170373 DUENEHYTENFVJU-NSHDSACASA-N 313.379 1.344 5 40 DDBB Nn1ccc2nc3ccn(C4CCCCC4)c(=O)c3cc2c1=O 40398611 GUXKKHPRYMJIBE-UHFFFAOYSA-N 310.357 1.930 5 40 DDBB O=[N+]([O-])c1ccn(Cc2nc(COc3ccccc3)no2)n1 89845808 WXHSYGKKCHRTEB-UHFFFAOYSA-N 301.262 1.802 5 40 DDBB CCOC(=O)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 58440605 YVZGWVXNPWBQKX-UHFFFAOYSA-N 321.333 1.561 5 40 DDBB COc1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cn1 66518477 XQVTVZYACUKDGZ-UHFFFAOYSA-N 306.278 1.360 5 40 DDBB CN1CCN(c2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 45886531 YHBVYXYDKODADY-UHFFFAOYSA-N 300.702 1.908 5 40 DDBB CS(=O)(=O)Cc1cc(Br)sc1[N+](=O)[O-] 96532766 ZNXHODFWSFVTDV-UHFFFAOYSA-N 300.155 1.963 5 40 DDBB C[C@H]1CN=C(N2CCN(c3ncccc3[N+](=O)[O-])CC2)S1 96424091 APLYUNIEHGAZRR-JTQLQIEISA-N 307.379 1.603 5 40 DDBB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1[N+](=O)[O-] 1515320 DEQDDHVXZUEETG-LLVKDONJSA-N 307.331 1.561 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1SCCNC1=O 8559512 OSAGIWAZJQCGJG-LLVKDONJSA-N 309.347 1.463 5 40 DDBB O=C(CN1C(=O)CCC1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 3343427 KHNBHOBCTOJYOC-UHFFFAOYSA-N 311.681 1.336 5 40 DDBB Cc1nn(CC(=O)NC(=O)c2ccccc2)c(C)c1[N+](=O)[O-] 7391510 MCHZPMGZNUOOSP-UHFFFAOYSA-N 302.290 1.365 5 40 DDBB Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)c2nnn[nH]2)c1 124274709 IAPRMGSUVLQFLS-VIFPVBQESA-N 304.310 1.292 5 40 DDBB O=[N+]([O-])c1ccc(N2CCS(=O)(=O)CC2)c2ncccc12 79060208 UCNPJSLMCWVCIS-UHFFFAOYSA-N 307.331 1.378 5 40 DDBB O=C1O[C@@H](C[N+](=O)[O-])C(Br)=C1Oc1ccccc1 100049896 PUHWWEDNPGAPRR-QMMMGPOBSA-N 314.091 1.874 5 40 DDBB CC(C)OCCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 20456443 AJQBQXLUAIPSHC-UHFFFAOYSA-N 316.379 1.829 5 40 DDBB O=C(O)CCCn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1 408715740 DBZYNAUHQCYIRW-UHFFFAOYSA-N 311.216 1.987 5 40 DDBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C(N)=O)CC1 24166474 PVXOUWPCAYZBHR-UHFFFAOYSA-N 320.349 1.039 5 40 DDBB C[N@+]12CCCC[C@H]1[C@@H](COCC(=O)N1CCOCC1)CCC2 585162685 BWUWEVLAZIDXFV-JTDSTZFVSA-N 311.446 1.271 5 40 DDBB Nc1nc(N2CCC[C@H]2CN2CCCCC2)ncc1[N+](=O)[O-] 160431569 OYGJMSUQYZFRPL-NSHDSACASA-N 306.370 1.422 5 40 DDBB C[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 100063268 HOTHFYFSLVLRHY-RTWAVKEYSA-N 300.270 1.428 5 40 DDBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C)c1=N 100877995 HQPUPJORNOUACY-UHFFFAOYSA-N 312.329 1.151 5 40 DDBB Cc1cc(N2CCC[C@H](N3CCNC3=O)C2)ccc1[N+](=O)[O-] 78726133 QGKHUSUMKIBZRS-ZDUSSCGKSA-N 304.350 1.897 5 40 DDBB COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1cccc(OC)c1 6259131 KMFSAWUKRNPMKG-LLVKDONJSA-N 311.290 1.018 5 40 DDBB COc1ccc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1OC 44892052 GREVDMMXNPQINC-UHFFFAOYSA-N 318.285 1.657 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 69829970 VLTOVHUNQOTVDH-SECBINFHSA-N 319.317 1.553 5 40 DDBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1nccn1C 95468486 COJGFIADYDAWJF-NSHDSACASA-N 317.349 1.787 5 40 DDBB NC1=NC(=O)[C@](Cc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 71974511 AZLIOACSUFEPOG-INIZCTEOSA-N 310.313 1.477 5 40 DDBB Cc1n[nH]cc1Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 96501508 AVHWYZUACYHZNQ-UHFFFAOYSA-N 302.337 1.835 5 40 DDBB COCCOCCCNc1nc2sccn2c1[N+](=O)[O-] 8374946 LJCDLOVDIVQFMJ-UHFFFAOYSA-N 300.340 1.769 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 100171948 GDYKLRVZRPIDKJ-CYDGBPFRSA-N 300.270 1.346 5 40 DDBB NCCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 94070950 UNNOLAFSJWQCDS-UHFFFAOYSA-N 313.379 1.626 5 40 DDBB O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3ccccc3CC2)c1 96441437 YMVONIJQIMZPFE-MRXNPFEDSA-N 316.361 1.253 5 40 DDBB CCOC(=O)C1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 272713074 LAPXTWWKAYFLCD-UHFFFAOYSA-N 322.321 1.797 5 40 DDBB O=c1[nH]c(O)nc(/C=C\c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 17061193 CEVUCNMQOBOZIN-UTCJRWHESA-N 304.218 1.462 5 40 DDBB O=C(N1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 45221361 MQUUAKVDDHDJGS-UHFFFAOYSA-N 304.350 1.933 5 40 DDBB O=C(NCc1ccccn1)c1cc2c(cc1[N+](=O)[O-])OCO2 12554287 JJJVKUJFINHOKL-UHFFFAOYSA-N 301.258 1.649 5 40 DDBB COCCCNc1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1 5051023 GVSLGKXFQFMTPR-UHFFFAOYSA-N 324.385 1.652 5 40 DDBB CN(C)S(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1Cl 4503541 SQIVUIFKBYCNLB-UHFFFAOYSA-N 322.774 1.056 5 40 DDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2[nH]1 44383207 FBXZUWIEIZAUPJ-WQAKAFBOSA-N 300.318 1.892 5 40 DDBB CCOC(=O)C1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 5262130 GAIQFTLQZCZEDW-UHFFFAOYSA-N 321.333 1.473 5 40 DDBB CN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 4421032 JANSIHYYARENOW-UHFFFAOYSA-N 301.214 1.882 5 40 DDBB CNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NC(C)(C)C 5620071 YKTYJUSOCDIUNI-UHFFFAOYSA-N 309.322 1.708 5 40 DDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1 6402139 NQHOYYPXJRBREI-ZDUSSCGKSA-N 321.333 1.010 5 40 DDBB CCn1nccc1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 20602072 BNSQIPXDPXOBSV-UHFFFAOYSA-N 324.362 1.632 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O 100184747 DUMHJZLKIUUULP-CYDGBPFRSA-N 300.270 1.346 5 40 DDBB CC(C)(NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)c1ccccc1 519568785 QTFREVSYBSOUFE-UHFFFAOYSA-N 316.317 1.569 5 40 DDBB CC(C)[C@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O 21806389 IKEKVZSWZHUEFD-JTQLQIEISA-N 320.298 1.121 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCc2ncnn2C1 97002477 NPMPSKACQYDNLZ-JTQLQIEISA-N 316.321 1.631 5 40 DDBB COc1ccc(CNC(=O)COc2cccnc2[N+](=O)[O-])cc1 12533259 LFSFPONRJMRNIL-UHFFFAOYSA-N 317.301 1.694 5 40 DDBB C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 45799306 GJUCYGHTTAPAEI-SNVBAGLBSA-N 300.336 1.145 5 40 DDBB CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 5517968 CSPOMIZSRDSZJN-GFCCVEGCSA-N 304.306 1.311 5 40 DDBB O=C(O)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 6673538 QWJAOVAPCNTUBQ-UHFFFAOYSA-N 324.336 1.746 5 40 DDBB CC1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)CC1 5177015 WCIHBUCQFVCWIL-UHFFFAOYSA-N 322.369 1.040 5 40 DDBB CS(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)O)c([N+](=O)[O-])c1 15443694 CVQBYXIPWRZGJO-JTQLQIEISA-N 314.319 1.052 5 40 DDBB O=C(Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC(=O)N(CC2CC2)C1 78551848 RYEAXOVOMZKPFM-SNVBAGLBSA-N 321.308 1.931 5 40 DDBB CCN(CC)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)O 256046155 DDJWGFYSOHCCQB-UHFFFAOYSA-N 305.294 1.720 5 40 DDBB Nc1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] 69779823 HMCXNEGSRIAQHK-ZDUSSCGKSA-N 318.377 1.877 5 40 DDBB CN(Cc1ccnn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 20602071 QJLPHTHBAMDCQJ-UHFFFAOYSA-N 310.335 1.149 5 40 DDBB Cc1c(C(=O)NC[C@H]2CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4508082 QWSZFGVNCYEGTL-SNVBAGLBSA-N 309.278 1.720 5 40 DDBB CC[C@@H](C)NC(=O)COC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 5363076 SJQIWFNCTMPSFD-SNVBAGLBSA-N 323.349 1.732 5 40 DDBB CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)cc([N+](=O)[O-])c1O 35011 QPACWPZFGHPYJU-HQJQHLMTSA-N 314.319 1.487 5 40 DDBB CC1(C)CC(=O)c2sc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])nc2C1 58371633 RXGGDXCLAJSUSC-SVRRBLITSA-N 309.347 1.902 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(Nc2ccccc2F)n1 5066498 MIRKCIJEGASLKE-UHFFFAOYSA-N 322.300 1.908 5 40 DDBB CN(Cc1ccncc1)c1ncc([N+](=O)[O-])c(NC2CC2)n1 26701789 WACPIFSVVWVVDD-UHFFFAOYSA-N 300.322 1.991 5 40 DDBB Cc1nc(N2CCC[C@@H]2CN2CCOCC2)ccc1[N+](=O)[O-] 160397941 CVJUYEVWQKMEBS-CYBMUJFWSA-N 306.366 1.599 5 40 DDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN2CCCC[C@H]12 47226762 ZCLZHUCGMCWEDK-HUUCEWRRSA-N 303.362 1.880 5 40 DDBB O=C(NCc1nnnn1C1CC1)c1c(Cl)cccc1[N+](=O)[O-] 78949769 CQMSJSQPKNLHEN-UHFFFAOYSA-N 322.712 1.500 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(CCO)CCC1 95462031 SOJHYJNQZHLMHT-UHFFFAOYSA-N 314.363 1.487 5 40 DDBB NS(=O)(=O)C[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 71899638 JWOXHGBOEYEIHK-SECBINFHSA-N 317.342 1.239 5 40 DDBB O=C(COc1cccc([N+](=O)[O-])c1)N=c1[nH]c2ccccc2[nH]1 32815547 JUFPTSWCGUGTHS-UHFFFAOYSA-N 312.285 1.911 5 40 DDBB O=C(NCCCn1ccccc1=O)Nc1ccccc1[N+](=O)[O-] 40123019 JJDKIDQIHPFMBR-UHFFFAOYSA-N 316.317 1.968 5 40 DDBB COC(=O)/C=C(\Nc1cccc(OC)c1[N+](=O)[O-])C(=O)OC 17013014 SGUOSSVUIPYZSG-CLFYSBASSA-N 310.262 1.245 5 40 DDBB Cc1cc(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)nc(C)n1 12525507 QWAHCAYIUPHWMH-UHFFFAOYSA-N 317.353 1.062 5 40 DDBB C[C@H]1CN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 12645375 NNYJMOVHYXIDMI-AOOOYVTPSA-N 312.297 1.749 5 40 DDBB Cc1ccc(Cn2ccs/c2=N/C(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1 105432894 XSTUVDAWWKNVCV-PUSDIMDNSA-N 317.370 1.999 5 40 DDBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)OC[C@@H]1C 58174948 DHGZIGKHENUBBA-RYUDHWBXSA-N 307.350 1.951 5 40 DDBB CCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CCOC 2238011 DFWPSOKJHWTJTP-UHFFFAOYSA-N 313.357 1.457 5 40 DDBB COC(=O)c1c(O)ccc2oc3cc(CO)cc(O)c3c(=O)c12 13328231 SSBSKLSIZKVBFF-UHFFFAOYSA-N 316.265 1.636 5 40 DDBB biogenic,in-vitro CN1CC[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 95466164 BPPMEPUCCMZZBC-DZGCQCFKSA-N 303.362 1.690 5 40 DDBB O=c1n(Cc2c(F)cccc2[N+](=O)[O-])nnn1-c1cccs1 69453871 LTZIYRCXEGMHLM-UHFFFAOYSA-N 321.293 1.586 5 40 DDBB Cc1ccc(NCCCNC(=O)c2nccn2C)c([N+](=O)[O-])c1 96421367 RUDIALBPDVJAKY-UHFFFAOYSA-N 317.349 1.869 5 40 DDBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)N1CCCCC1 71888532 RIDXFZIDKWXFRL-JTQLQIEISA-N 321.333 1.431 5 40 DDBB O=[N+]([O-])c1ncn(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)n1 95974823 JCCBKDYFZLXZLC-SNVBAGLBSA-N 316.239 1.809 5 40 DDBB O=C(CSc1nncc(O)n1)Nc1cccc([N+](=O)[O-])c1 4248966 QTYZHICKOPCUSZ-UHFFFAOYSA-N 307.291 1.216 5 40 DDBB Cc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 31773399 NMOSWHFKZAIIRT-SNVBAGLBSA-N 312.347 1.667 5 40 DDBB C[C@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H]1C 97082688 YKKQNJRAOBRAMJ-UWVGGRQHSA-N 313.379 1.725 5 40 DDBB O=C(CSc1ncn[nH]1)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1 18191133 DLYQWLVDSODLQV-UHFFFAOYSA-N 323.290 1.142 5 40 DDBB C[C@]1(OC(=O)c2ccccc2)CS(=O)(=O)C[C@]1(C)[N+](=O)[O-] 5531044 AFXJUGLTXJFMGT-STQMWFEESA-N 313.331 1.066 5 40 DDBB O=C(Nc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCS(=O)(=O)C1 5758331 SOICDICTFNZWRB-SNVBAGLBSA-N 300.292 1.330 5 40 DDBB O=[N+]([O-])c1cccnc1NNC(=S)NCc1ccccc1 20031053 PATDJTUAEJCZBG-UHFFFAOYSA-N 303.347 1.981 5 40 DDBB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 190043 KJPOGPCSTDHUAT-GFCCVEGCSA-N 315.289 1.648 5 40 DDBB CC[C@@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 12872268 FIRRXVQVTCPJOB-SNVBAGLBSA-N 319.317 1.259 5 40 DDBB CC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 21596142 OCWQAOSFRVNBQO-UHFFFAOYSA-N 308.363 1.138 5 40 DDBB Cc1nc(C(C)C)oc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 521394431 RMKBMZFQKNDEHQ-UHFFFAOYSA-N 307.310 1.528 5 40 DDBB Cc1cc([N+](=O)[O-])nn1CC(=O)NCCO[C@@H]1CCCC[C@H]1C 193874142 AOTNOHSMWCQSFE-DGCLKSJQSA-N 324.381 1.811 5 40 DDBB COc1ccc(CCNC(=O)CCn2cnc([N+](=O)[O-])c2)cc1 24375662 ZDNZKJOPEZYFKG-UHFFFAOYSA-N 318.333 1.549 5 40 DDBB COc1ccc([C@@H]2NC(=O)N(C)C(C)=C2[N+](=O)[O-])cc1OC 363093 ZZYNSHJSTGBVPE-LBPRGKRZSA-N 307.306 1.908 5 40 DDBB Cc1ccc(NC(=O)COC(=O)C2=COCCO2)c([N+](=O)[O-])c1 4871332 UKJFYLLOUWIGIY-UHFFFAOYSA-N 322.273 1.273 5 40 DDBB Cc1c(C)[n+](C)c([C@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)n1O 524734711 GGGLTJONIKJFPV-CYBMUJFWSA-O 320.325 1.682 5 40 DDBB CCOC(=O)c1ccc2c(c1)ncc1c(=O)nc(N)sc12 40174310 ZSHAJVJHMSHQER-UHFFFAOYSA-N 301.327 1.964 5 40 DDBB O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1c2ccccc2C[C@@H]1O 78997039 UHKCRJDMLZAOMZ-DOTOQJQBSA-N 312.325 1.912 5 40 DDBB Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2C)n(C)n1 48365946 QIOWYLXBGYKYHX-UHFFFAOYSA-N 304.306 1.963 5 40 DDBB CCN1C(=O)N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 409234269 JSRSKXWLCGYCAD-BAQGIRSFSA-N 305.246 1.236 5 40 DDBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 46169969 QGHBHBJAMXSCLK-JQWIXIFHSA-N 305.334 1.593 5 40 DDBB O=c1c2cnc3ncnn3c2ccn1-c1ccccc1[N+](=O)[O-] 19959519 UBNAUMLQMAQCBB-UHFFFAOYSA-N 308.257 1.337 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCO1 10327925 SLWCRQJTEBPMBS-LLVKDONJSA-N 307.306 1.137 5 40 DDBB CCN1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2OC)CC1 72206679 YREFZLLTLFRDKM-UHFFFAOYSA-N 307.350 1.690 5 40 DDBB O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1CCOCC(F)F 225440757 SJUFTAISAIGZRQ-UHFFFAOYSA-N 315.232 1.693 5 40 DDBB CN(CC(N)=O)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 40139240 NDKNWFWOHRTCMS-UHFFFAOYSA-N 313.313 1.747 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[S@@](=O)C(C)(C)C1 96461646 NQERRGHTHWFJOY-NRFANRHFSA-N 310.375 1.886 5 40 DDBB O=[N+]([O-])c1ccc(N2CCS(=O)CC2)c(Br)c1 96427352 NUCZFVSPVCXRHO-UHFFFAOYSA-N 319.180 1.926 5 40 DDBB C[S@](=O)c1nncn1-c1ccc([N+](=O)[O-])c(OC(F)F)c1 92653932 XSRZXXPILGWQSF-OAQYLSRUSA-N 318.261 1.514 5 40 DDBB CC(=O)Oc1c(C(=O)O)cc(Br)cc1[N+](=O)[O-] 3159904 JVLDXYUWZWVKGS-UHFFFAOYSA-N 304.052 1.981 5 40 DDBB O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c2ccncc12 25747313 KSVPWRRBWIIPLQ-UHFFFAOYSA-N 302.334 1.257 5 40 DDBB CC[C@@H]1CN(C(=O)CNc2ccc(F)c([N+](=O)[O-])c2)CCO1 58440943 RBZVFWPYKDMPLF-LLVKDONJSA-N 311.313 1.783 5 40 DDBB COC(=O)[C@@H](C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 12856406 ACQYYRCCBQUDRD-SSDOTTSWSA-N 311.246 1.084 5 40 DDBB O=C1CN(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccncc2N1 75148543 ADGDJQQLYKAZSR-UHFFFAOYSA-N 312.285 1.518 5 40 DDBB Cc1ccc(Nc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1C 4774503 LWENDEVMADPTQH-UHFFFAOYSA-N 304.306 1.353 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nnc2n1CCC2 43149502 JFPUFOZDVRKGGZ-UHFFFAOYSA-N 316.321 1.763 5 40 DDBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=O)NCc1ccco1 3515208 VBSZMZOGBAOFQY-UHFFFAOYSA-N 319.273 1.593 5 40 DDBB Nc1nc(Nc2ccccc2F)nc(NCCO)c1[N+](=O)[O-] 9411230 HNAQPEWCMHWWGX-UHFFFAOYSA-N 308.273 1.254 5 40 DDBB NCC[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 70170414 QSDHSFCNQVMJBM-LLVKDONJSA-N 313.379 1.344 5 40 DDBB CCn1ccc(CNC(=O)CCn2ncc([N+](=O)[O-])c2C)n1 2794345 PEJUJNPTYQMKKF-UHFFFAOYSA-N 306.326 1.023 5 40 DDBB CCn1ncc([N+](=O)[O-])c1-c1nn2c(C(F)F)nnc2s1 20606013 COTXIBXCRVDNKX-UHFFFAOYSA-N 315.265 1.915 5 40 DDBB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NC1CCCC1 3226474 PVDIUYKNSWDKTK-UHFFFAOYSA-N 306.318 1.739 5 40 DDBB Cc1c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc-2cc(O)n1C 101514360 JWQACWIVQSCTHI-UHFFFAOYSA-N 300.274 1.598 5 40 DDBB CCS(=O)(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-] 4703740 OCEKUQSGKJDYEB-UHFFFAOYSA-N 307.759 1.599 5 40 DDBB Cc1cc([N+](=O)[O-])nn1Cc1nc2c3ccccc3ncn2n1 2806334 KGRFSNMBRQZWAI-UHFFFAOYSA-N 309.289 1.739 5 40 DDBB C[C@@H](CN1CCCC1=O)NC(=O)c1cc(F)ccc1[N+](=O)[O-] 59594442 SPOZWUMFJPHRAC-VIFPVBQESA-N 309.297 1.475 5 40 DDBB Cc1cc(N2CCO[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1 97083917 OOWYGRGERCQNGW-GFCCVEGCSA-N 303.318 1.649 5 40 DDBB Cn1cc(C[C@H](CO)Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 521395277 QAZQJZGCNVWIJW-LLVKDONJSA-N 310.741 1.997 5 40 DDBB COC(=O)c1cnc(N[C@@H](C)c2nccn2C)c([N+](=O)[O-])c1 585141782 FQMQRTAQQKSBPO-QMMMGPOBSA-N 305.294 1.683 5 40 DDBB O=C(COc1cc(C(=O)O)ccc1[N+](=O)[O-])NCc1ccco1 13187249 YTIFIGRBHOQPPG-UHFFFAOYSA-N 320.257 1.581 5 40 DDBB CC[C@@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 40497165 KRNWDUUHCSULQU-GFCCVEGCSA-N 321.381 1.027 5 40 DDBB Cc1ccc(NC(=O)c2nn(C)cc2C(=O)O)cc1[N+](=O)[O-] 20614567 NNEBPNFVILTISL-UHFFFAOYSA-N 304.262 1.587 5 40 DDBB O=C(NCCO)c1ccccc1NCc1csc([N+](=O)[O-])c1 95402836 SUQYMBISFNSODE-UHFFFAOYSA-N 321.358 1.991 5 40 DDBB Cc1ccc(OCC(=O)NCc2ccccc2)c([N+](=O)[O-])n1 8687562 BKCREEJESCFICM-UHFFFAOYSA-N 301.302 1.993 5 40 DDBB CCOC(=O)c1cc([N+](=O)[O-])c(N2CCOCC2)cc1OC 45957537 UQWJEUSPDWSKHN-UHFFFAOYSA-N 310.306 1.617 5 40 DDBB CCn1ncn(NC(=O)Nc2cccc([N+](=O)[O-])c2C)c1=O 585140904 MKEJXGPILSLYRW-UHFFFAOYSA-N 306.282 1.057 5 40 DDBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 16676143 RCIPQFMRNBPBRC-LFSVMHDDSA-N 316.269 1.046 5 40 DDBB Cc1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1=O 4248998 GYLTVEDAEYLMKQ-UHFFFAOYSA-N 321.318 1.112 5 40 DDBB Cc1nn(CCC(=O)N[C@@H](C)[C@H]2CCCO2)c(C)c1[N+](=O)[O-] 2780149 LWRXLGWXWRFNBB-JOYOIKCWSA-N 310.354 1.482 5 40 DDBB Cc1cc(NC(=O)CNC[C@H]2CCCO2)c([N+](=O)[O-])cc1C 6607652 JHHDVVIISOFDPE-GFCCVEGCSA-N 307.350 1.919 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])cn(CCCOc2ccccc2)c1=O 27054570 WXMZAMWLXLNPJE-UHFFFAOYSA-N 317.301 1.325 5 40 DDBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2C)[C@@H](C(=O)O)C1 71979412 DRQVQVOJUKZOEI-GFCCVEGCSA-N 321.289 1.486 5 40 DDBB Cn1c(CN2CCc3ncc([N+](=O)[O-])cc3C2)nnc1C1CC1 97234972 PQGXWORUEMWRAI-UHFFFAOYSA-N 314.349 1.554 5 40 DDBB O=c1ccn(Cc2noc(Cc3ccccc3)n2)cc1[N+](=O)[O-] 96467997 MCGRRKWAEMDVAV-UHFFFAOYSA-N 312.285 1.779 5 40 DDBB O=[N+]([O-])C[C@@](O)(c1nccn1Cc1ccccc1)C(F)(F)F 40556076 VGVJNPFZMKJJHO-GFCCVEGCSA-N 315.251 1.958 5 40 DDBB CCOc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5207281 AZCFKDCUUJJTNM-UHFFFAOYSA-N 300.336 1.778 5 40 DDBB CCOC(=O)c1ccc(NC(=O)c2nc[nH]c2[N+](=O)[O-])cc1 5799579 MDRMYWYIWMWOIX-UHFFFAOYSA-N 304.262 1.747 5 40 DDBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1C[C@@H]1c1cnn(C)c1 78556523 VCOLOSIQHYBBQF-NEPJUHHUSA-N 319.321 1.180 5 40 DDBB COC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16205969 DJICVMUGAAXHDZ-UHFFFAOYSA-N 308.290 1.525 5 40 DDBB O=[N+]([O-])c1cccc(-n2nnnc2CN2CCCCCC2)c1 4907297 KWYSUAPTRQHRPF-UHFFFAOYSA-N 302.338 1.947 5 40 DDBB CCN1CC2=C(C1=O)[C@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N2C 57531492 SPHIOXOEONABGO-ZDUSSCGKSA-N 316.317 1.407 5 40 DDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2[nH]1 44383202 FBXZUWIEIZAUPJ-ICCXJUOJSA-N 300.318 1.892 5 40 DDBB CC(C)N(C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(C)C 5657290 WSSSCLONTLBAKZ-UHFFFAOYSA-N 323.349 1.979 5 40 DDBB Cc1cc(C)c(NN=c2c(=O)c3ccccc3c2=O)c([N+](=O)[O-])c1 408720810 ZXCPJNBCMIJXJK-UHFFFAOYSA-N 323.308 1.889 5 40 DDBB Cc1ccc(C(N)=O)cc1OC(=O)c1ccc(N)c([N+](=O)[O-])c1 72271129 LKQYFWNHOUZKNN-UHFFFAOYSA-N 315.285 1.804 5 40 DDBB NNc1nc(N2CCOCC2)cc(C(F)(F)F)c1[N+](=O)[O-] 91694990 BOMULEBKKFXBTI-UHFFFAOYSA-N 307.232 1.131 5 40 DDBB C[C@H]1CCCN(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])C1 5529209 RWEZGNBGADKODX-JTQLQIEISA-N 300.336 1.950 5 40 DDBB COc1nonc1OCCNCCNc1ccc([N+](=O)[O-])cc1 4180771 LQXYWSQMFVDTKM-UHFFFAOYSA-N 323.309 1.067 5 40 DDBB O=C1NC2=C(C(=O)OC2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1 4981694 AEQDVVGOMNZHSQ-JTQLQIEISA-N 309.665 1.413 5 40 DDBB COC(=O)c1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 9234806 JCLPNLRKWKRVDD-QPJJXVBHSA-N 317.257 1.341 5 40 DDBB O=[N+]([O-])c1cccc([C@H](O)Cn2nnnc2-c2ccccn2)c1 95432551 NNVJKCLOKKRFGS-CYBMUJFWSA-N 312.289 1.377 5 40 DDBB Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCc2cccc(O)c21 95995360 PVIKVVWEFCOANG-UHFFFAOYSA-N 302.290 1.627 5 40 DDBB COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nccc1[N+](=O)[O-] 40554070 OPLKKHXFADKGIS-UHFFFAOYSA-N 321.249 1.347 5 40 DDBB Cc1nn(C)cc1C(=O)NC(=O)Nc1cccc([N+](=O)[O-])c1 3151873 OGPGLBUYVRXSAK-UHFFFAOYSA-N 303.278 1.599 5 40 DDBB Cc1cnccc1CCNC(=O)c1cc([N+](=O)[O-])ccc1O 97235751 NLGOBUFIHPXRRT-UHFFFAOYSA-N 301.302 1.976 5 40 DDBB CCOC(=O)CN1CCO[C@@H](COc2cccc([N+](=O)[O-])c2)C1 217501428 WTEPUZXLELTKJT-CQSZACIVSA-N 324.333 1.238 5 40 DDBB Nc1nc(N(CCO)CCc2ccccc2)ncc1[N+](=O)[O-] 78428662 NCPSOAALQLSLEG-UHFFFAOYSA-N 303.322 1.008 5 40 DDBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(N2CCOCC2)on1 224077754 DUCLUHGFFAVNIV-UHFFFAOYSA-N 318.289 1.672 5 40 DDBB CCc1ccc([C@H]2COCCN2c2ncc([N+](=O)[O-])c(N)n2)o1 96453870 FKVCQNRMUKVKGI-LLVKDONJSA-N 319.321 1.700 5 40 DDBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1O)[C@H]1C=C[C@H]2C1 100564986 OWIRASZRJZHFER-XMUKKISLSA-N 300.270 1.612 5 40 DDBB O=c1[nH]c(Cc2ccc([N+](=O)[O-])cn2)nc2cc(F)ccc12 96009365 XIHWRNCZVVSGIP-UHFFFAOYSA-N 300.249 1.956 5 40 DDBB CCc1ccc(NC(=O)NCc2ncnn2C)cc1[N+](=O)[O-] 95403803 ILWNRRXBYXSTKO-UHFFFAOYSA-N 304.310 1.607 5 40 DDBB O=c1ccn(Cc2noc(-c3ccsc3)n2)cc1[N+](=O)[O-] 76092597 WODCFKUGZMRPFS-UHFFFAOYSA-N 304.287 1.916 5 40 DDBB CN(C)C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6830310 GXCAFBFYMLCJTP-UHFFFAOYSA-N 308.319 1.825 5 40 DDBB CCOC(=O)c1nc2c(=O)oc3ccccc3c2n(C)c1=O 9607368 NUEQZRYWCMQGNQ-UHFFFAOYSA-N 300.270 1.217 5 40 DDBB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])o1 58169257 PLWCRGUQVBHCPX-QMMMGPOBSA-N 321.255 1.802 5 40 DDBB CC(C)(C)OC(=O)CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 173042986 CVLBGEDLIGMYHP-UHFFFAOYSA-N 316.260 1.945 5 40 DDBB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)Nc1cccc([N+](=O)[O-])c1 409376365 XQOANHGRMVLMEQ-BLTAXRJOSA-N 318.285 1.578 5 40 DDBB Cc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12 5386074 ZQWZDAGMSVUJGI-UHFFFAOYSA-N 314.253 1.074 5 40 DDBB CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 22510789 REFAJDSJWIUTIV-HNNXBMFYSA-N 321.377 1.681 5 40 DDBB O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@H]1C=C[C@H]2O1 245380313 WDHWVBYYVWBZGG-DDHJBXDOSA-N 320.688 1.691 5 40 DDBB C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@@H]2CC[C@@H]1C2 102281840 ZONYYYGPRLBDKH-FMCLSXCISA-N 319.361 1.697 5 40 DDBB CCOC(=O)C[C@@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N 89983641 CUWMYRIDFKKMGC-SNVBAGLBSA-N 323.349 1.805 5 40 DDBB Cc1nc2n(n1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 14164351 XNRIAELZUKQDJN-SNVBAGLBSA-N 316.277 1.017 5 40 DDBB CC(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 48289418 SPCUYSMEZWANFZ-UHFFFAOYSA-N 316.273 1.839 5 40 DDBB C[C@H](NC(=O)c1ccc(C(N)=O)nc1)c1cccc([N+](=O)[O-])c1 65547373 DLEHDDPZECBYGE-VIFPVBQESA-N 314.301 1.580 5 40 DDBB O=c1c2ccccc2nnn1COc1cc(F)ccc1[N+](=O)[O-] 8373696 WDLWKDGOPZODCN-UHFFFAOYSA-N 316.248 1.875 5 40 DDBB Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c(=O)[nH]1 4248375 QRGKSZNKSIPJRJ-UHFFFAOYSA-N 319.229 1.719 5 40 DDBB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1n1cnnc1 344591 FPDQCEWMGAIWNW-UHFFFAOYSA-N 309.241 1.272 5 40 DDBB Cc1c(CN2C(=O)N[C@@]3(CCSC3)C2=O)cccc1[N+](=O)[O-] 44944249 QJNKVIJBWJESPL-CQSZACIVSA-N 321.358 1.831 5 40 DDBB CCc1cnc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)o1 96428803 HKXFCXZMVROBCJ-UHFFFAOYSA-N 301.258 1.941 5 40 DDBB C[C@H]1CCCCN1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N 6900904 KTVGANCJGKCBJU-JTQLQIEISA-N 321.333 1.735 5 40 DDBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1CCNC1=O 24862657 XEIRGNQSEKYQSN-SNVBAGLBSA-N 306.322 1.139 5 40 DDBB O=C(NC[C@H]1CCCO1)c1ccc2nc3ccccc3c(=O)n2c1 57477753 BNNXDJNPMHXXBK-CYBMUJFWSA-N 323.352 1.757 5 40 DDBB O=C(NN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 18245103 WOIBTRRUYMVJBO-TXEJJXNPSA-N 317.301 1.415 5 40 DDBB O=C([C@@H]1CCCN1c1ccccc1[N+](=O)[O-])N1CCOCC1 71904082 YPJDNKHFXVAVLZ-AWEZNQCLSA-N 305.334 1.422 5 40 DDBB C[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 69148972 WGWIPLJGDWPWKM-RYUDHWBXSA-N 323.349 1.792 5 40 DDBB Cc1nn(CC(=O)NCc2ccc(F)cc2)c(C)c1[N+](=O)[O-] 5466501 YDMQCDMXAWNXTK-UHFFFAOYSA-N 306.297 1.864 5 40 DDBB CN(C)C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C 1332927 SDXOZSHMZSSODB-UHFFFAOYSA-N 321.362 1.571 5 40 DDBB CS[C@@H]1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 72287123 WELWGCSZYHMEDD-ZYHUDNBSSA-N 312.395 1.972 5 40 DDBB Nc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] 47923745 FWVLHTSTQJHCTN-TZMCWYRMSA-N 305.334 1.961 5 40 DDBB NS(=O)(=O)c1cccc(NCC2(C3CC3)CC2)c1[N+](=O)[O-] 97115390 PMCSKWOKZUCOAK-UHFFFAOYSA-N 311.363 1.844 5 40 DDBB O=C(NCc1ccco1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 97081104 KSZYKYFSIRVPPV-CQSZACIVSA-N 315.285 1.997 5 40 DDBB Cn1c(Cn2cnc([N+](=O)[O-])n2)nnc1-c1ccc(Cl)cc1 185007376 XJWYGLODFVITPS-UHFFFAOYSA-N 319.712 1.684 5 40 DDBB Cc1[nH]nc(C(=O)NC[C@H](C)Oc2ccccc2)c1[N+](=O)[O-] 72822429 DLBAYEWSJRGUBF-VIFPVBQESA-N 304.306 1.824 5 40 DDBB O=C(C[C@H]1OC[C@H]2CCCN2C1=O)Nc1ccc([N+](=O)[O-])cc1 4164149 OIRIGZAYACCDCH-CHWSQXEVSA-N 319.317 1.313 5 40 DDBB C[C@@H]1CC(=O)N=C(SCC(=O)c2ccc([N+](=O)[O-])cc2)N1 6409396 JIXQOQONRPPCEH-MRVPVSSYSA-N 307.331 1.775 5 40 DDBB Cc1c(C(=O)NCCCN2CCN(C)CC2)cccc1[N+](=O)[O-] 13671547 PLOXIZWULIJJHQ-UHFFFAOYSA-N 320.393 1.271 5 40 DDBB COC(=O)c1cnc(NC[C@@H]2CC(=O)N[C@@H](C)C2)c([N+](=O)[O-])c1 585141000 NJTVBWSKQFGEHB-IUCAKERBSA-N 322.321 1.103 5 40 DDBB COC(=O)c1ccc(CN(C)c2c([N+](=O)[O-])ncn2C)cc1 30521781 DNVIKNICZOZQBV-UHFFFAOYSA-N 304.306 1.751 5 40 DDBB CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C 54672199 QGTRUYNTUIAKCS-ZDUSSCGKSA-N 321.333 1.479 5 40 DDBB CCN1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 71893409 MUAZIGRCAPVUTK-UHFFFAOYSA-N 307.350 1.528 5 40 DDBB CC[C@@H](C)[C@H](CO)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] 71920883 WKRQDHAEICEHBO-ZJUUUORDSA-N 306.322 1.422 5 40 DDBB O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC1 45059892 KQKZRSYGBGNFBK-UONOGXRCSA-N 318.329 1.479 5 40 DDBB CC(=O)Nc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 376508 DHRHCOKWHQLNFG-UHFFFAOYSA-N 317.305 1.697 5 40 DDBB Cc1nc(N)[nH]c(=O)c1CCCNc1ccc([N+](=O)[O-])cc1 8618953 UVHWXPKSONLKEY-UHFFFAOYSA-N 303.322 1.613 5 40 DDBB O=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)S1 214305826 PSCMVAFVPUMLHV-FARCUNLSSA-N 311.231 1.533 5 40 DDBB O=C(NN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408680227 FZLWIMMRHATSNL-RYUDHWBXSA-N 315.285 1.191 5 40 DDBB O=C(NC[C@@H](O)CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1 40554346 ANTUMCIJAMFPLP-CYBMUJFWSA-N 308.338 1.173 5 40 DDBB COc1ccc(Cc2noc([C@@H]3C[C@@H]3[N+](=O)[O-])n2)cc1OC 96405294 ZTOPKNJUUAMGFO-ZJUUUORDSA-N 305.290 1.810 5 40 DDBB O=C(Nc1cccnc1N1CCSCC1)[C@H]1C[C@H]1[N+](=O)[O-] 51988312 SCGNQMCMBAENPE-GXSJLCMTSA-N 308.363 1.239 5 40 DDBB CCc1ccc(NC(=O)CN2CCC(=O)NC2=O)cc1[N+](=O)[O-] 89286501 QYBNWGPZQBUIRW-UHFFFAOYSA-N 320.305 1.038 5 40 DDBB C[C@H](CO)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 5728440 YEQSFKWJGWHAPV-SSDOTTSWSA-N 310.335 1.060 5 40 DDBB COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c([N+](=O)[O-])c1 4482299 CLINSXWBVGSCLK-OGXIQJDLSA-N 314.297 1.915 5 40 DDBB O=C(C[S@](=O)Cc1cccc([N+](=O)[O-])c1)NCC(F)(F)F 32801291 JPAXMXCAJIVCGD-NRFANRHFSA-N 324.280 1.522 5 40 DDBB O=c1/c(=C/c2ccco2)sc2nc3nc4ccccc4c3nn12 2196821 ZKQSERCUSLCMMG-WQLSENKSSA-N 320.333 1.993 5 40 DDBB Cc1ccc(NC(=O)C[C@@H](NC(C)C)C(=O)O)c([N+](=O)[O-])c1 39880957 LENNWHXIRQDDDL-LLVKDONJSA-N 309.322 1.683 5 40 DDBB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2[N+](=O)[O-])C1 70461189 QVGZXBAPXRFXFE-SNVBAGLBSA-N 322.317 1.910 5 40 DDBB Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 6082827 AATDLGAVUDXKNT-CYBMUJFWSA-N 312.347 1.210 5 40 DDBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 46169967 QGHBHBJAMXSCLK-ZYHUDNBSSA-N 305.334 1.593 5 40 DDBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1=COCCO1 6047895 OPZXCBMRRLNXEF-UHFFFAOYSA-N 323.257 1.393 5 40 DDBB CCN(CC)C(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 23291495 TYBVPASSYPCTFT-UHFFFAOYSA-N 324.289 1.349 5 40 DDBB CCc1noc(CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 95432614 YHDTVXDKVFPALP-LBPRGKRZSA-N 306.322 1.706 5 40 DDBB CCc1nn(C)c(N2CC(O)(c3ccc(F)cc3)C2)c1[N+](=O)[O-] 192786853 FFCGRTSHYUWQMM-UHFFFAOYSA-N 320.324 1.738 5 40 DDBB CCOC(=O)[C@@H](C(=O)OC(C)(C)C)c1ccncc1[N+](=O)[O-] 95829592 DYROSYKMPSCHIP-NSHDSACASA-N 310.306 1.978 5 40 DDBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC[C@@H]2CO)c1 6552524 RZQYBCXNCIZORR-KGLIPLIRSA-N 310.350 1.181 5 40 DDBB C[C@H]1CC(=O)N=C(SCC(=O)c2ccc([N+](=O)[O-])cc2)N1 6416570 JIXQOQONRPPCEH-QMMMGPOBSA-N 307.331 1.775 5 40 DDBB CC1CCN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])CC1 4305933 BFHSKRZRUSIHPB-UHFFFAOYSA-N 306.370 1.804 5 40 DDBB Cc1cc(C(=O)NCC(=O)N[C@H](C)C2CCC2)ccc1[N+](=O)[O-] 97370242 YLCITIZBMFFMDG-LLVKDONJSA-N 319.361 1.938 5 40 DDBB CCCC[N+](C)(C)CCOC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 5352028 RWVYUOWFWURPRQ-SEBNEYGDSA-N 310.414 1.604 5 40 DDBB CCOC(=O)c1cc(C(=O)O[C@H]2CCOC2=O)cc([N+](=O)[O-])c1 10857317 VGGZTTFBHCOCKM-NSHDSACASA-N 323.257 1.244 5 40 DDBB Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1[N+](=O)[O-] 4401820 VLHKRQAQGWECOP-UHFFFAOYSA-N 301.368 1.133 5 40 DDBB COc1ncnc2c1N[C@H](NO)c1cc([N+](=O)[O-])ccc1S2 12389993 HEXASBGZOYSWEH-SNVBAGLBSA-N 321.318 1.948 5 40 DDBB CNC(=O)C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 24980186 JXDMWJCATLSRHL-AATRIKPKSA-N 317.345 1.593 5 40 DDBB O=[N+]([O-])c1ncn(C[C@H](O)COCc2ccccc2Cl)n1 95438933 XGNBVNYFDVZJMP-JTQLQIEISA-N 312.713 1.417 5 40 DDBB CN1CCC(O)(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 72293810 DWKOEICAJHMOMN-UHFFFAOYSA-N 300.746 1.512 5 40 DDBB COc1nn([C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] 72334177 VTASYOJSDFTODN-SECBINFHSA-N 306.326 1.727 5 40 DDBB O=C(OCCn1cnc([N+](=O)[O-])n1)c1ccc2[nH]ccc2c1 75094161 UATUJLRTJBZHJX-UHFFFAOYSA-N 301.262 1.525 5 40 DDBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1cccnc1 36285935 FIRQLXFISVKPQI-UHFFFAOYSA-N 318.314 1.822 5 40 DDBB O=[N+]([O-])c1ncn(C[C@H](O)CO[C@@H]2CCCc3ccccc32)n1 95438927 UWMPBTHIBBGFQB-GXTWGEPZSA-N 318.333 1.641 5 40 DDBB COC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 1423493 UQNGTDZSVZMTCO-UHFFFAOYSA-N 304.262 1.217 5 40 DDBB CCn1nc(C)c(CN(C)C(=O)c2nn(C)cc2[N+](=O)[O-])c1C 2777636 RJXRNIPMQCEYRU-UHFFFAOYSA-N 320.353 1.434 5 40 DDBB Cc1c(NC(=O)NCCN2CCOCC2)cccc1[N+](=O)[O-] 65547430 SPLWOUVXNRRWMZ-UHFFFAOYSA-N 308.338 1.357 5 40 DDBB CNc1ncnc2c1N[C@@H](NN)c1cc([N+](=O)[O-])ccc1S2 19171935 VWWDZENIGYTKFU-JTQLQIEISA-N 319.350 1.465 5 40 DDBB O=[N+]([O-])c1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1O 409323226 ZRMNWVGYOHIGMJ-IWQZZHSRSA-N 320.217 1.580 5 40 DDBB O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)C1CC1 32923055 WHPYHIPHHPRDBJ-UHFFFAOYSA-N 307.306 1.319 5 40 DDBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)O)C1 71979276 CXBHXGJZZKXNBX-LLVKDONJSA-N 307.262 1.177 5 40 DDBB COC[C@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 96431054 RCMOQTAJEQMOKF-ZDUSSCGKSA-N 321.377 1.916 5 40 DDBB CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)c1c([N+](=O)[O-])c(C)nn1C 95423441 LUENDJLRFYSKFP-MNOVXSKESA-N 324.381 1.960 5 40 DDBB CN(Cc1nc2ccsc2c(=O)[nH]1)c1ncc([N+](=O)[O-])cn1 97094782 DOXPRUYTNNSWPF-UHFFFAOYSA-N 318.318 1.319 5 40 DDBB CN(C)c1nc(N(C)C)n(C(=O)c2ccc([N+](=O)[O-])cc2)n1 3104955 FBKZABHEOSPQKV-UHFFFAOYSA-N 304.310 1.007 5 40 DDBB CS[C@@H]1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 72287121 WELWGCSZYHMEDD-CMPLNLGQSA-N 312.395 1.972 5 40 DDBB O=C1CNC(=O)N1CCCn1ccc2c([N+](=O)[O-])cccc21 95442465 YYLKODMMSITXFK-UHFFFAOYSA-N 302.290 1.491 5 40 DDBB COc1cccc(N2CCN(CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] 302475816 FAXGBPQFASRNTI-GFCCVEGCSA-N 323.393 1.885 5 40 DDBB O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)N1CCCC1 53835446 FSSGJBNJQLHMNU-UHFFFAOYSA-N 301.306 1.471 5 40 DDBB C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Cn1cccn1 56812056 NMLNNJCFZBPHIS-JTQLQIEISA-N 306.297 1.997 5 40 DDBB COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccnc2OC)c1 58417533 HSUTXZCKMBQLBI-UHFFFAOYSA-N 317.301 1.937 5 40 DDBB C[C@H](Cc1ccsc1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 95426128 RRXLNJRKDFYMND-SNVBAGLBSA-N 323.378 1.783 5 40 DDBB Cc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)n(C)n1 89421223 VTEXCVKTPVCAGU-UHFFFAOYSA-N 300.278 1.765 5 40 DDBB CCc1ccc([C@H](COC)NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])o1 96423859 WGFMIGGYOSMYMS-JTQLQIEISA-N 322.321 1.899 5 40 DDBB O=C(CCn1cc([N+](=O)[O-])ccc1=O)N1CCc2ccccc21 40025037 DREUOJJLGPCMTL-UHFFFAOYSA-N 313.313 1.736 5 40 DDBB CC[N+](CC)(CC)CCOC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 104184236 BZRJPXIAPWLIOZ-AHDPXTMNSA-N 310.414 1.604 5 40 DDBB O=[N+]([O-])c1c(NC[C@@H]2CN3CCC[C@@H]3CO2)nc2ccccn12 58149987 BCBWZWHJUWXEHY-VXGBXAGGSA-N 317.349 1.518 5 40 DDBB O=[N+]([O-])c1ncn(Cc2nc3cc(Br)ccc3[nH]2)n1 97114240 GAWMKVRIIFHNFM-UHFFFAOYSA-N 323.110 1.873 5 40 DDBB CC[C@H](C)[C@H](CO)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-] 71920884 WKRQDHAEICEHBO-UWVGGRQHSA-N 306.322 1.422 5 40 DDBB COC(=O)CCc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])NC(=O)CC2 3845237 LPYOWYMPRAPGEV-UHFFFAOYSA-N 323.261 1.493 5 40 DDBB biogenic Cc1cnc(C)c(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n1 195563780 WZTGRDVYLUJTTA-UHFFFAOYSA-N 314.349 1.723 5 40 DDBB O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](n2cccn2)C1 97109057 TWGTZBXKJUPBFD-GFCCVEGCSA-N 316.317 1.974 5 40 DDBB Cc1nc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 97229143 ZINUKIPXZPBNPL-ZETCQYMHSA-N 312.307 1.326 5 40 DDBB CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1 68873679 QLPGEMVJTSBSSK-UHFFFAOYSA-N 321.333 1.473 5 40 DDBB O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccccc2)nc1 12791167 YOVFKUNFRZCRAX-UHFFFAOYSA-N 322.346 1.380 5 40 DDBB CCCCN1C[C@H](C(=O)Nc2ncc([N+](=O)[O-])s2)CC1=O 9698835 VIOSPTNASYQJOH-MRVPVSSYSA-N 312.351 1.638 5 40 DDBB C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F 95942200 SASGUGWJYKZRKB-ZEDNOMKYSA-N 317.342 1.965 5 40 DDBB O=C([C@H]1CCCN1c1ccncc1[N+](=O)[O-])N1CCSCC1 79089673 JNZQODFRHSBYDY-GFCCVEGCSA-N 322.390 1.534 5 40 DDBB CCCNC(=O)[C@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 40525429 MBYCQZYAVZAOMS-JTQLQIEISA-N 308.338 1.939 5 40 DDBB CN(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 4963437 RFMJJUHELKGVLZ-UHFFFAOYSA-N 307.331 1.925 5 40 DDBB Cc1cc(C(=O)NCC(=O)NCC(F)F)ccc1[N+](=O)[O-] 97083221 UHFZYFDUKCJOOI-UHFFFAOYSA-N 301.249 1.014 5 40 DDBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCO1 3234720 IVPQEOYPUORHTG-LBPRGKRZSA-N 308.290 1.047 5 40 DDBB C[C@@H](CN1CCOC1=O)NC(=O)Nc1ccc([N+](=O)[O-])cc1 69581228 CCPVUGAGNPCJTQ-VIFPVBQESA-N 308.294 1.557 5 40 DDBB Cn1cc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cn1 24585227 RQAZKLUKCZRXPW-UHFFFAOYSA-N 313.277 1.161 5 40 DDBB O=c1[nH]nc(CCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)[nH]1 97163598 IPRIXMKILPOOOH-UHFFFAOYSA-N 318.120 1.968 5 40 DDBB Cc1cc(NC(=O)CN2CCc3ccc([N+](=O)[O-])cc32)n(C)n1 97374135 DIVDVJYGBRLFEM-UHFFFAOYSA-N 315.333 1.638 5 40 DDBB Cn1ncnc1CNc1c(Br)cncc1[N+](=O)[O-] 95980565 WZRQLHVCGGZDIY-UHFFFAOYSA-N 313.115 1.493 5 40 DDBB Cn1cc(N2CCC[C@H](Nc3ccncc3[N+](=O)[O-])C2)cn1 76063572 UUBKVBQSJRNRNJ-NSHDSACASA-N 302.338 1.804 5 40 DDBB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 6925860 MFFLPLZYIUINHA-XXHBBNRNSA-N 302.286 1.836 5 40 DDBB CC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1 8076243 IVMXTFCKYQZHKM-ZDUSSCGKSA-N 308.338 1.167 5 40 DDBB CCOC(=O)C(C(=O)OCC)c1ccc(OC)cc1[N+](=O)[O-] 2171437 OYBZYLASBSWKEH-UHFFFAOYSA-N 311.290 1.813 5 40 DDBB CC(=O)N(CCCNC(=O)Cc1ccccc1[N+](=O)[O-])C(C)C 48316861 NKDSJTDCBAHAAJ-UHFFFAOYSA-N 321.377 1.901 5 40 DDBB O=C(NC[C@H]1CCCO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 45857511 RSMGMWAROCRUPE-CQSZACIVSA-N 316.317 1.689 5 40 DDBB CNS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 8055841 MLYXBEZPMNWSPU-VIFPVBQESA-N 315.351 1.094 5 40 DDBB CC(C)c1nnc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1C 97114688 AXPTZNOIYQVGSA-UHFFFAOYSA-N 321.312 1.916 5 40 DDBB C[C@H]1CCC[C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 76021977 AIVOCLSPBKUING-NEPJUHHUSA-N 307.350 1.794 5 40 DDBB Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-] 4558163 QKIUUSUNARQIGM-UHFFFAOYSA-N 301.280 1.252 5 40 DDBB CC(C)C[C@@H](CNc1c([N+](=O)[O-])ncn1C)N1CCOCC1 12630089 GPAPQMKANBAIJU-LBPRGKRZSA-N 311.386 1.487 5 40 DDBB Nc1nc(SCC(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 94986173 CHJFJNLJFHBHHI-UHFFFAOYSA-N 313.726 1.924 5 40 DDBB Cc1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 9662751 YQEFTPLHTBWGHM-QWRGUYRKSA-N 309.322 1.313 5 40 DDBB Cc1cc(F)cc(C(=O)N2CCc3[nH]ncc3C2)c1[N+](=O)[O-] 89587346 NBINAJPPKZXNGM-UHFFFAOYSA-N 304.281 1.964 5 40 DDBB COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(C)C2=O)c1O 5718583 RFYVPCMGOLRYPE-WTKPLQERSA-N 310.287 1.975 5 40 DDBB O=C(COC(=O)c1cnccn1)Nc1ccccc1[N+](=O)[O-] 5786201 ZUPCFYWQZCVQEJ-UHFFFAOYSA-N 302.246 1.180 5 40 DDBB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])o1 10255836 FVTOILZWSDFFCS-JTQLQIEISA-N 301.258 1.245 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]2CCCC[C@H]2C1 7020430 KQAVBIDOYUHKCJ-OLZOCXBDSA-N 319.361 1.795 5 40 DDBB O=C(C1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 25423571 XBYLHYRYZFQLIG-UHFFFAOYSA-N 319.361 1.670 5 40 DDBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC1CC1 8077290 AZLXQFFVSDJUFM-UHFFFAOYSA-N 305.290 1.562 5 40 DDBB C[C@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(N)=O 95407758 DHNOZLOGJPSUBB-LLVKDONJSA-N 306.366 1.980 5 40 DDBB O=C(OCC1CCN(CC(F)(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 77944564 IOAGGIGSQZJAPK-NXEZZACHSA-N 310.272 1.469 5 40 DDBB C[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 100063272 HOTHFYFSLVLRHY-YFCNSXCBSA-N 300.270 1.428 5 40 DDBB O=c1[nH]nc(SCCOc2ccccc2[N+](=O)[O-])n1C1CC1 53610419 KQGYQDMCJSQECF-UHFFFAOYSA-N 322.346 1.986 5 40 DDBB O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccccn1 97148473 YEFRWJGTBICPJV-UHFFFAOYSA-N 310.107 1.962 5 40 DDBB COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cn1ccnc1 47931623 CZLVONKFGHHMOX-SNVBAGLBSA-N 304.306 1.618 5 40 DDBB CCn1ncc([N+](=O)[O-])c1C(=O)NC1CC(C)(C)NC(C)(C)C1 2781291 GVVOUXYSOXTIBB-UHFFFAOYSA-N 323.397 1.850 5 40 DDBB Cc1cc(S(=O)(=O)Nc2nncs2)ccc1[N+](=O)[O-] 84101522 XRCLIWWDTWDFPI-UHFFFAOYSA-N 300.321 1.556 5 40 DDBB Cn1ccnc1C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 90004090 PECAJJZWNGKCNN-ZDUSSCGKSA-N 318.381 1.480 5 40 DDBB O=C(NCCNc1ncccn1)c1cc([N+](=O)[O-])ccc1Cl 71899687 SSPFZUADSWKUFW-UHFFFAOYSA-N 321.724 1.880 5 40 DDBB CC(C)N1C[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1=O 2503710 KNEGEIBFMLRYOO-VIFPVBQESA-N 309.297 1.929 5 40 DDBB C[C@H]1CCC[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 76021984 AIVOCLSPBKUING-NWDGAFQWSA-N 307.350 1.794 5 40 DDBB CCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 42665040 OTJFMIXMWWTVHI-UHFFFAOYSA-N 319.361 1.973 5 40 DDBB COc1cc(N2CCC[C@@H]2C(=O)NC2CC2)c(F)cc1[N+](=O)[O-] 134895130 OECYJLIDNAGVJB-LLVKDONJSA-N 323.324 1.990 5 40 DDBB COCCc1noc(CN(C)c2ncc([N+](=O)[O-])cc2C)n1 95412279 OIGLSFZPMGMIAL-UHFFFAOYSA-N 307.310 1.507 5 40 DDBB CC(C)C[C@](C)(NC(=O)COc1ccccc1[N+](=O)[O-])C(N)=O 69743169 IKNLTCXYANSDQP-HNNXBMFYSA-N 323.349 1.380 5 40 DDBB NC(=O)[C@@H]1CCCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 79015769 YBUYBZBLTOFTIJ-CHWSQXEVSA-N 305.334 1.298 5 40 DDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[C@H]1CCCO1 24432925 SFDNKTIREHDYIY-SNVBAGLBSA-N 300.336 1.442 5 40 DDBB CC(C)CN1CCO[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 24765160 VAHAKCYBGVAFLK-OAHLLOKOSA-N 321.377 1.681 5 40 DDBB COc1ccc(OC)c(NC(=O)Cn2cnc([N+](=O)[O-])c2)c1 12775708 PSUPJSYELLMPQI-UHFFFAOYSA-N 306.278 1.447 5 40 DDBB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 52992343 HWEIUQRIXPKKRB-ZIAGYGMSSA-N 323.393 1.339 5 40 DDBB COc1ccc(S(=O)(=O)N2CC(C)(OC)C2)c([N+](=O)[O-])c1 89919522 UPMUKPAQTCDZNR-UHFFFAOYSA-N 316.335 1.013 5 40 DDBB O=c1[nH]c(O)nc(/C=C\c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 33629136 GYPFQPJIWFHBNP-WAYWQWQTSA-N 304.218 1.462 5 40 DDBB CCCNC(=O)[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C 40525439 HLUXVWXDIODLKS-SNVBAGLBSA-N 308.338 1.939 5 40 DDBB O=C1NC[C@H](CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)O1 1378694 DFZJCILMJVUVSY-SECBINFHSA-N 322.302 1.845 5 40 DDBB CS(=O)(=O)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 24921424 JELAHRRCBVMRII-UHFFFAOYSA-N 313.379 1.062 5 40 DDBB Cc1c(C(=O)N2CCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] 25166173 MDTOXYRWDNONQN-UHFFFAOYSA-N 317.345 1.598 5 40 DDBB COc1ncnc2c1N[C@@H](NN)c1cc([N+](=O)[O-])ccc1S2 19171947 VYKISZJVRVECKQ-JTQLQIEISA-N 320.334 1.432 5 40 DDBB COCC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1 84093441 KHGJFZRJMUFJCM-UHFFFAOYSA-N 307.350 1.953 5 40 DDBB CC1=C([N+](=O)[O-])[C@@H](c2ccc3c(c2)OCO3)N(C)C(=O)N1C 364332 WFTKUMPPALRFBZ-CYBMUJFWSA-N 305.290 1.962 5 40 DDBB Cc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc(C)n1 32825061 QLDMSAYZURRDJM-UHFFFAOYSA-N 314.349 1.723 5 40 DDBB COc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc([N+](=O)[O-])c1OC 70077 PKVVJOTVEOPTFQ-WRWORJQWSA-N 314.319 1.400 5 40 DDBB Cc1c(=O)c(=O)c2c3c[nH]c4c(C)c(=O)c(=O)c(c5c[nH]c1c52)c43 12496246 XUMBMVFBXHLACL-UHFFFAOYSA-N 318.288 1.327 5 40 DDBB endogenous,in-man CC[C@@H](NC(=O)c1nccnc1N)c1cccc([N+](=O)[O-])c1 79018685 MHHJENQYNNBFHO-LLVKDONJSA-N 301.306 1.848 5 40 DDBB Nc1nc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n[nH]1 67428351 ICOZECMZHBXLMC-SECBINFHSA-N 320.334 1.193 5 40 DDBB Nc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 16385882 WODSUJSKTRPHMR-UHFFFAOYSA-N 309.263 1.732 5 40 DDBB CN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1=O 96429541 JZMXLVUXPOFTJT-JTQLQIEISA-N 314.139 2.000 5 40 DDBB CCN(CC)CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC 5261320 XTEHPCIZJKYMRG-UHFFFAOYSA-N 324.381 1.699 5 40 DDBB Cc1csc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 43273064 RXTNKQOEKKKLKN-UHFFFAOYSA-N 313.360 1.838 5 40 DDBB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 69097747 ZMHDMSJBTKYAOA-UFBFGSQYSA-N 308.338 1.925 5 40 DDBB CS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96519617 OWLKSZYMZYBWJV-QMMMGPOBSA-N 314.146 1.804 5 40 DDBB Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)s1 11613909 TXTQWYVAUQBFRS-UHFFFAOYSA-N 308.275 1.705 5 40 DDBB O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@](O)(C(F)(F)F)C1 78026243 VLDNILWXDQRKOK-GFCCVEGCSA-N 318.251 1.663 5 40 DDBB CNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 1332912 DYPHLJQWCPTGMI-UHFFFAOYSA-N 307.335 1.228 5 40 DDBB CCn1c(=O)cc(Cl)n(Cc2ccccc2[N+](=O)[O-])c1=O 95468069 ZJDGUWGINOLWQC-UHFFFAOYSA-N 309.709 1.640 5 40 DDBB COc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1[N+](=O)[O-] 3442515 BJMHXTIXZJCRLH-UHFFFAOYSA-N 322.317 1.819 5 40 DDBB Cn1ccnc1C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 90004091 PECAJJZWNGKCNN-CYBMUJFWSA-N 318.381 1.480 5 40 DDBB CCOC(=O)[C@H]1CC(=O)N(c2ccc(OC)c([N+](=O)[O-])c2)C1 45952978 LKOMBFXKXJKDCN-VIFPVBQESA-N 308.290 1.519 5 40 DDBB NS(=O)(=O)c1ccc(CCNc2cccc([N+](=O)[O-])c2)cc1 40513435 QVXAOPZRGRDYJV-UHFFFAOYSA-N 321.358 1.897 5 40 DDBB C[N+]1([C@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)CCCCC1 6565143 KNYSSDLUZNPUIE-CABCVRRESA-N 301.476 1.268 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)cc1 6472561 NAKGLFQELTWAJZ-NEPJUHHUSA-N 300.336 1.177 5 40 DDBB C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2O1 78947597 ZLLCHMBWSIMHGJ-YPMHNXCESA-N 318.333 1.440 5 40 DDBB Nc1nc(N)c2nc(-c3ccc([N+](=O)[O-])cc3)c(Cl)nc2n1 1591614 PZTBALSDAFVTQQ-UHFFFAOYSA-N 317.696 1.813 5 40 DDBB CCN(CC(=O)N(C)C)C(=O)CCNc1ccccc1[N+](=O)[O-] 52896594 LSAMUBJCXPJKDG-UHFFFAOYSA-N 322.365 1.334 5 40 DDBB CC(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 5894711 BWNCBJRUUDMYSR-UHFFFAOYSA-N 307.350 1.817 5 40 DDBB Cc1[nH]c(=O)ccc1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 95441633 ZSTZIBXTIXAUSK-UHFFFAOYSA-N 313.313 1.790 5 40 DDBB COCCN1CC[C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])C1 69483721 NFCNLJRXLZYXMB-ZDUSSCGKSA-N 321.377 1.601 5 40 DDBB CCN(CC)C(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 97983113 OTMYBTYDMTWVNO-UHFFFAOYSA-N 312.238 1.893 5 40 DDBB CC(C)c1nc(Cn2nnc(-c3cccc([N+](=O)[O-])c3)n2)no1 78876847 QEMYIDDCVLRBIK-UHFFFAOYSA-N 315.293 1.803 5 40 DDBB CNC(=O)c1ccc(N[C@H]2CCCn3ncnc32)c([N+](=O)[O-])c1 79054713 SEZHXVBYIQNWJX-NSHDSACASA-N 316.321 1.493 5 40 DDBB O=C(CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)NC1CC1 6990162 VBTFXNPUHBXPCS-UHFFFAOYSA-N 318.333 1.178 5 40 DDBB Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)NCc1ccccc1 4076227 UVQMIRFOZADXON-UHFFFAOYSA-N 319.277 1.324 5 40 DDBB Cc1[nH]nc(C(=O)NC[C@H](C)Oc2ccc(F)cc2)c1[N+](=O)[O-] 80777583 BGFWETKMDUJCHK-QMMMGPOBSA-N 322.296 1.963 5 40 DDBB COc1ccccc1C(=O)Oc1cc(C)[nH]c(=O)c1[N+](=O)[O-] 13523216 LGDZJWXTGUYGBJ-UHFFFAOYSA-N 304.258 1.819 5 40 DDBB Nc1nc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n[nH]1 31840587 XBRMSXBXIAGSCK-UHFFFAOYSA-N 319.306 1.637 5 40 DDBB O=[N+]([O-])c1cnn(Cc2nn3c(C(F)(F)F)nnc3s2)c1 20606299 FRVXHIPGSHQTRO-UHFFFAOYSA-N 319.228 1.358 5 40 DDBB Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1[N+](=O)[O-] 4902162 MGXPBFSXDVZTQW-XQHKEYJVSA-N 318.285 1.496 5 40 DDBB Cc1cccc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)c1[N+](=O)[O-] 39501439 GPQFGUTXECCWFE-NSHDSACASA-N 323.305 1.280 5 40 DDBB CCS(=O)(=O)c1ccc(N2CCN[C@H](C)C2)c([N+](=O)[O-])c1 15443740 DXHMBVIBWPKMRR-SNVBAGLBSA-N 313.379 1.187 5 40 DDBB CCn1cc(S(=O)(=O)Nc2ncc(C)s2)c([N+](=O)[O-])n1 83843365 WCTCGJVRLRSWOO-UHFFFAOYSA-N 317.352 1.377 5 40 DDBB Cc1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])cc1C 408918170 HDKAAMKBKPFEQB-SYQHCUMBSA-N 314.297 1.654 5 40 DDBB Cc1cccn2c(=O)cc(Cn3cc([N+](=O)[O-])ccc3=O)nc12 31672120 SBULFFARXWDOBE-UHFFFAOYSA-N 312.285 1.121 5 40 DDBB Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(n3ccnn3)CC2)c1 96487041 MGKNFWBBHDYPSQ-UHFFFAOYSA-N 315.333 1.972 5 40 DDBB Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1 6787437 NBDDIGZRLILDLR-JLLWLGSASA-N 310.354 1.420 5 40 DDBB CC(=O)N[C@@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 48274221 SAEUZKBTBNTWAW-CYBMUJFWSA-N 317.349 1.503 5 40 DDBB O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 58380509 JKHHKJKHAHQLKC-XUJVJEKNSA-N 318.329 1.690 5 40 DDBB O=C(NC1CCN(Cc2ccccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 58424394 QGBNUGCTZIMADX-UKRRQHHQSA-N 321.352 1.572 5 40 DDBB CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 68251518 RPILWFMDWPMVDY-UHFFFAOYSA-N 324.312 1.221 5 40 DDBB O=C(Nc1cnc(-c2cccc(O)c2)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] 69975720 HKJZTJSCHWUIPC-VXGBXAGGSA-N 300.274 1.453 5 40 DDBB CCn1nc(C)c2nnn(Cc3cccc([N+](=O)[O-])c3)c(=O)c21 96182575 ILUVWFABHBMSRZ-UHFFFAOYSA-N 314.305 1.273 5 40 DDBB CCN(CC)c1nn(-c2cccc([N+](=O)[O-])c2)nc1C(=O)O 256046877 IPTQXVKIHRWJBS-UHFFFAOYSA-N 305.294 1.720 5 40 DDBB CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] 67171676 YBQSJQYCPBQWKP-GXSJLCMTSA-N 311.725 1.693 5 40 DDBB COc1ccc2c(ccn3cc4c(c(=O)n(C)c(=O)n4C)c23)c1 526696 PITDGMLIMQEAIS-UHFFFAOYSA-N 309.325 1.652 5 40 DDBB Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c(=O)[nH]1 4248376 YQITYQYYDKOXFW-UHFFFAOYSA-N 319.229 1.719 5 40 DDBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC[C@@H]2CO)c1 6552523 RZQYBCXNCIZORR-ZIAGYGMSSA-N 310.350 1.181 5 40 DDBB COCCN1C[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 24484995 NVBWBDMGSXUCFL-LLVKDONJSA-N 321.333 1.337 5 40 DDBB COCc1nc2n(n1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])cn1 95415158 GRQLSCRROJYXID-JTQLQIEISA-N 304.310 1.675 5 40 DDBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(CCCO)CC1 58227028 RDRXTUFMMWZZRH-UHFFFAOYSA-N 308.338 1.127 5 40 DDBB CCN1CCOC(=O)[C@H]1CC(=O)Nc1ccc([N+](=O)[O-])cc1 54253805 KFGSRRBPJTWZRN-GFCCVEGCSA-N 307.306 1.171 5 40 DDBB C[C@H]1CCc2ccccc2N1C(=O)Cn1cnc([N+](=O)[O-])n1 48356097 HNKHDWDSNKBWKM-JTQLQIEISA-N 301.306 1.554 5 40 DDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccn(C)n2)c1C 9468023 WNZIECSFMIAXPW-UHFFFAOYSA-N 310.335 1.746 5 40 DDBB CCN(CC)C(=O)CN(C)c1ccc(C(=O)OC)cc1[N+](=O)[O-] 22807654 AWCBASYQYSONGQ-UHFFFAOYSA-N 323.349 1.686 5 40 DDBB Cc1nnc(COC(=O)CCNc2ccccc2[N+](=O)[O-])o1 32893502 DSCHJAZLAZCVEI-UHFFFAOYSA-N 306.278 1.832 5 40 DDBB Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 6787458 NBDDIGZRLILDLR-DLOVCJGASA-N 310.354 1.420 5 40 DDBB Cc1ccc(Cl)c(OC[C@@H](O)Cn2cnc([N+](=O)[O-])n2)c1 97114074 ITPCWOPCLPFUAR-VIFPVBQESA-N 312.713 1.588 5 40 DDBB CC(C)CN(CC(C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 7984892 BFJHAEWRZFOUQK-UHFFFAOYSA-N 309.366 1.897 5 40 DDBB CN(C)CCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1 57477743 SYOZPRNZAKRLKN-UHFFFAOYSA-N 310.357 1.139 5 40 DDBB CS(=O)(=O)C(Cl)(Cl)C(=O)c1cccc([N+](=O)[O-])c1 96518108 UUDRUTRUBSEICI-UHFFFAOYSA-N 312.130 1.954 5 40 DDBB O=C(O)c1nn(-c2ccccc2[N+](=O)[O-])nc1N1CCCC1 256047103 KJIIIPHDGOAOCA-UHFFFAOYSA-N 303.278 1.474 5 40 DDBB CN(CC(=O)NC1CC1)c1ccc2ncccc2c1[N+](=O)[O-] 42109662 ONNZJOSBBZDLRM-UHFFFAOYSA-N 300.318 1.858 5 40 DDBB O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1nc(C2CC2)n[nH]1 96008311 OXVHPGDEJHZDAG-UHFFFAOYSA-N 301.262 1.547 5 40 DDBB NC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 96427356 IXHYYLWWTOYCQQ-SSDOTTSWSA-N 314.139 1.669 5 40 DDBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccco1 20154199 QNODLBSRTVYDDZ-UHFFFAOYSA-N 316.317 1.850 5 40 DDBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(C)n1 25321856 PYNDZPYJKZTBIE-UHFFFAOYSA-N 319.321 1.639 5 40 DDBB CC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1OC 48322187 CJLGLIHWNVXERI-NSHDSACASA-N 319.321 1.462 5 40 DDBB NC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 72294773 RKBYQCKZOOYLQB-NSHDSACASA-N 322.708 1.533 5 40 DDBB Cc1ccn(Cc2nnnn2-c2ccccc2)c(=O)c1[N+](=O)[O-] 84247993 LDKDHIYSVNWBMQ-UHFFFAOYSA-N 312.289 1.089 5 40 DDBB CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCS(=O)CC1 75092454 DQHGDMSHXLXWRT-UHFFFAOYSA-N 311.363 1.970 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 169683048 DUMHJZLKIUUULP-LPWJVIDDSA-N 300.270 1.346 5 40 DDBB CONC(=O)c1cc([N+](=O)[O-])ccc1I 32635612 KUNMQXXHILKAFL-UHFFFAOYSA-N 322.058 1.491 5 40 DDBB Cc1c(C(=O)NCCCN2CCOCC2)cccc1[N+](=O)[O-] 20081887 MNZQZDZPPMWCSQ-UHFFFAOYSA-N 307.350 1.355 5 40 DDBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NC(C)C 196059 YNCIZUDFLMHGSC-UHFFFAOYSA-N 305.132 1.387 5 40 DDBB Cc1nn(C)c(N[C@@H]2CCCN(c3cnn(C)c3)C2)c1[N+](=O)[O-] 78368499 MVRIJZDHADNCFT-LLVKDONJSA-N 319.369 1.451 5 40 DDBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC(=O)C1 23419879 VEMLLZQVXPMXKX-VIFPVBQESA-N 309.347 1.034 5 40 DDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)OC[C@H]1C 106074087 DCRYJYNARQRYIX-GHMZBOCLSA-N 314.363 1.701 5 40 DDBB CC(C)COC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 84544375 GYDLEEZRNAKXDV-UHFFFAOYSA-N 324.381 1.845 5 40 DDBB Cc1nn(CCC(=O)N[C@H]2CCN(C3CC3)C2)c(C)c1[N+](=O)[O-] 69517743 MCCNEQJGXLOOBP-LBPRGKRZSA-N 321.381 1.151 5 40 DDBB C[C@H](C(=O)O)n1nc([N+](=O)[O-])cc1I 953107828 NFTZNJKZARZOLX-GSVOUGTGSA-N 311.035 1.042 5 40 DDBB O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc2ccc(F)cn2n1 84380150 SDVMGKJPJZBPRJ-UHFFFAOYSA-N 315.264 1.958 5 40 DDBB C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CN 70177399 BFYINUYYZXGTKR-ZWNOBZJWSA-N 313.379 1.343 5 40 DDBB CN1CC[C@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1=O 75143196 GBFWVGFXVZGKED-TZNOJPMFSA-N 307.281 1.094 5 40 DDBB CCCCNC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 25372150 HYPSTKGBKPPHHW-UHFFFAOYSA-N 320.393 1.633 5 40 DDBB CCNC(=O)NC(=O)CN(CC)Cc1cccc([N+](=O)[O-])c1 30967512 BHMDVHCSGUNPRU-UHFFFAOYSA-N 308.338 1.262 5 40 DDBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc[nH]c1=O 47546775 LKOVHDOERXQYPA-UHFFFAOYSA-N 301.302 1.945 5 40 DDBB CN(CC(=O)NC1CC1)c1ccc([N+](=O)[O-])c2cnccc12 57797742 SGYWRLYCKOWCIR-UHFFFAOYSA-N 300.318 1.858 5 40 DDBB CN(Cc1ccccn1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 44979564 RPCSVPLXEIRLEL-UHFFFAOYSA-N 307.331 1.811 5 40 DDBB CC(C)c1ccc(CN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 93047828 KAPJNZQGAHHTEL-UHFFFAOYSA-N 312.391 1.949 5 40 DDBB CN(Cc1ccsc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 7020396 JRFIZQQCYIVJRG-UHFFFAOYSA-N 307.331 1.477 5 40 DDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2OCCO2)C1 69321387 NYGXWXBOOQTMOP-ZDUSSCGKSA-N 320.345 1.749 5 40 DDBB CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 95978570 BQNIGSVPEOJCBO-AWEZNQCLSA-N 307.350 1.890 5 40 DDBB O=C(NCCNc1cnccn1)c1ccc(Cl)cc1[N+](=O)[O-] 31599530 CEJMFCOYVQFZLL-UHFFFAOYSA-N 321.724 1.880 5 40 DDBB CC(C)CCNc1nc(N)c([N+](=O)[O-])c(N2CCN(C)CC2)n1 5029887 QMVSKBJDPPDRON-UHFFFAOYSA-N 323.401 1.177 5 40 DDBB Cn1cnc2c1CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 5530541 LIEAUOSIFVCSPI-OAHLLOKOSA-N 302.334 1.420 5 40 DDBB O=c1scnn1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 135472463 DXKCOCRQCZHYKU-UHFFFAOYSA-N 305.275 1.311 5 40 DDBB COC(=O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 5759624 KQLVJJNIWCEWBV-UHFFFAOYSA-N 314.253 1.517 5 40 DDBB COc1ccc(C(=O)O[C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] 4846315 YCTAZVTXMUOVJP-SNVBAGLBSA-N 322.317 1.771 5 40 DDBB C[C@@H]1Cc2c(NC(=O)c3ccc([N+](=O)[O-])o3)nn(C)c2NC1=O 35597747 MNGNHUFHZYPUMC-ZCFIWIBFSA-N 319.277 1.304 5 40 DDBB O=C(NCc1ccccn1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5937027 IKHNBHWKDHTXCV-UHFFFAOYSA-N 302.246 1.828 5 40 DDBB O=C(NCc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1 5250796 NCJOSGUBKDDICL-UHFFFAOYSA-N 317.276 1.989 5 40 DDBB Cc1cccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 53566016 KNILXLPUKLORDW-JTQLQIEISA-N 312.347 1.162 5 40 DDBB O=C(Cc1ccccc1[N+](=O)[O-])NCCCCN1CCOCC1 48286622 OLBLFXADAOXUNO-UHFFFAOYSA-N 321.377 1.366 5 40 DDBB NC(=O)c1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 58266871 UVJJWFVDQPOOHX-DZGCQCFKSA-N 319.361 1.837 5 40 DDBB Cc1ccc(NCCCNC(=O)c2cnccn2)c([N+](=O)[O-])c1 96416812 VBZQMJOELSCLDN-UHFFFAOYSA-N 315.333 1.925 5 40 DDBB O=[N+]([O-])c1cn(C[C@H](O)COCc2ccc3c(c2)OCO3)cn1 29259457 VGADZRNYXMNSMS-NSHDSACASA-N 321.289 1.098 5 40 DDBB O=C(O)c1cccc2nc3cc4c(c(C(=O)O)c3nc12)OCO4 5759664 FWDUBHRWEPGVSH-UHFFFAOYSA-N 312.237 1.908 5 40 DDBB COCCN(CCOC)C(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 56063271 KQRAAHQDYUMTQS-UHFFFAOYSA-N 321.333 1.811 5 40 DDBB CNC(=O)c1ccc(N[C@H](CC(C)C)C(=O)OC)c([N+](=O)[O-])c1 65536478 YDWPXPCJCBWUHL-GFCCVEGCSA-N 323.349 1.954 5 40 DDBB COCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 66936481 HGNIAIVUUPCOKI-UHFFFAOYSA-N 318.351 1.307 5 40 DDBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cnn(CN3CCCOC3)c2c1 19831308 CEDZVYFAHVFBSY-UHFFFAOYSA-N 307.266 1.490 5 40 DDBB O=c1[nH]c(Cn2cnc([N+](=O)[O-])n2)nc2c1oc1ccccc12 69808766 APPWGHKNOPYZKA-UHFFFAOYSA-N 312.245 1.217 5 40 DDBB CN(CCOc1ccc([N+](=O)[O-])cc1)C1CCS(=O)CC1 89346370 KZQPICFPIJHNRL-UHFFFAOYSA-N 312.391 1.817 5 40 DDBB Cc1c(NC(=O)c2nc3nccc(C)n3n2)cccc1[N+](=O)[O-] 19164696 VRSBGRFLIOJGAI-UHFFFAOYSA-N 312.289 1.902 5 40 DDBB CC1=NN[C@@]2(C)Nc3ncnn3[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12 1405684 KNJBPUYAXUVFLK-YRGRVCCFSA-N 313.321 1.513 5 40 DDBB COC[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl 6085133 DLMBGCHPEZNORE-MRVPVSSYSA-N 302.714 1.778 5 40 DDBB C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 33537700 HJJYEFNLTSOMAR-UPJWGTAASA-N 310.350 1.444 5 40 DDBB CC(=O)N[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])C(C)C 31930361 UVZFNVXUVXURNS-AWEZNQCLSA-N 307.350 1.714 5 40 DDBB CC(=O)Nc1cc(NCCCn2cncn2)c(F)cc1[N+](=O)[O-] 32916209 LYMJJXOBWDDXJC-UHFFFAOYSA-N 322.300 1.786 5 40 DDBB O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1[N+](=O)[O-] 4504726 UZBHGHKGPQCBNV-QMMMGPOBSA-N 318.738 1.165 5 40 DDBB COC[C@H](C)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3888075 LGIDJQYRGNVMQT-ZETCQYMHSA-N 308.743 1.561 5 40 DDBB Cc1nn(CCC(=O)NCCN2CCC[C@H]2C)c(C)c1[N+](=O)[O-] 97009303 HJPUGRIRHDNZHD-LLVKDONJSA-N 323.397 1.399 5 40 DDBB CN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 95987417 AYXFBAVAPSXAEY-HNNXBMFYSA-N 315.377 1.780 5 40 DDBB Cc1cc(=O)oc2cc(OCCn3cnc([N+](=O)[O-])n3)ccc12 75145048 KYMDFKRXRZASBF-UHFFFAOYSA-N 316.273 1.680 5 40 DDBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(OC)c1 15009262 GJUCPFYCXTZSKV-ONEGZZNKSA-N 319.273 1.571 5 40 DDBB Cc1n[nH]c(C)c1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 95442750 CDKLJGFDURPFFQ-UHFFFAOYSA-N 317.349 1.977 5 40 DDBB NCC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 70170372 DUENEHYTENFVJU-LLVKDONJSA-N 313.379 1.344 5 40 DDBB Cc1cccc([N+](=O)[O-])c1C(=O)O[C@@H](C)C(=O)N1CCOCC1 26116625 KKAQLOPJNJYPQJ-NSHDSACASA-N 322.317 1.307 5 40 DDBB Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c(=O)[nH]1 4248374 GIQBUSLUJFTWJX-UHFFFAOYSA-N 319.229 1.719 5 40 DDBB O=C(NC1CCN(CC2CCCCC2)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] 68280763 FWVAXAZVIMLHEN-GJZGRUSLSA-N 309.410 1.813 5 40 DDBB CN1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 23242941 IGGZNXSPNYPHFQ-UHFFFAOYSA-N 318.377 1.583 5 40 DDBB Cc1ccc2c(c1)N(C(=O)Cn1cc([N+](=O)[O-])nc1C)CCO2 72332104 YVLIVCCUOVUGTG-UHFFFAOYSA-N 316.317 1.834 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(C)CC1 72703811 FURRPNXEHQONHY-UHFFFAOYSA-N 313.379 1.276 5 40 DDBB CSCC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 159606776 IWGMOFHEOTYVJD-ZDUSSCGKSA-N 309.391 1.560 5 40 DDBB O=C(C1CCN(c2ccc([N+](=O)[O-])cn2)CC1)N1CCOCC1 23640446 UAJRUSOYSUSEFS-UHFFFAOYSA-N 320.349 1.065 5 40 DDBB COC(=O)c1ccc(CN(C)Cn2cc([N+](=O)[O-])cn2)cc1 58343142 MYOAOSXVAHHDQM-UHFFFAOYSA-N 304.306 1.667 5 40 DDBB CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](CO)C1 58356609 YTOYEDMAQSVZIQ-LLVKDONJSA-N 308.334 1.980 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCc2ccccc21 48355087 PAXDHTRQFHKSMR-GFCCVEGCSA-N 301.306 1.380 5 40 DDBB Nc1cc([N+](=O)[O-])ccc1C(=O)OCc1nnc(C2CC2)o1 63880524 FWIWOOLZAQSJCJ-UHFFFAOYSA-N 304.262 1.794 5 40 DDBB Cc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 31773398 NMOSWHFKZAIIRT-JTQLQIEISA-N 312.347 1.667 5 40 DDBB Cn1cnc([N+](=O)[O-])c1SC[C@@H](O)CN1CCCCC1 346175 JRHSFEMHVXWJQQ-JTQLQIEISA-N 300.384 1.267 5 40 DDBB Cc1nn(CCC(=O)N[C@H](C)[C@H]2CCCO2)c(C)c1[N+](=O)[O-] 2780150 LWRXLGWXWRFNBB-BXKDBHETSA-N 310.354 1.482 5 40 DDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccnc1 45300069 VDCBJNGAYFKKOV-UHFFFAOYSA-N 309.303 1.799 5 40 DDBB CCOC(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 16182979 GHWWFKFEAQUDJY-UHFFFAOYSA-N 311.246 1.101 5 40 DDBB Cc1cnc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)o1 97161674 KWBXHNQVKZQPRN-UHFFFAOYSA-N 317.348 1.740 5 40 DDBB Cc1ccnc(N2CCC(c3nc(=N)n(C)[nH]3)CC2)c1[N+](=O)[O-] 585141567 CVQRQRXPYSYIHA-UHFFFAOYSA-N 317.353 1.223 5 40 DDBB CCOC(=O)[C@@H]1C[C@H](O)CN1c1nc(Cl)ccc1[N+](=O)[O-] 97694361 JLOMWJOYFROIGR-CBAPKCEASA-N 315.713 1.146 5 40 DDBB COc1cc2nc3ccc(C(=O)O)cn3c(=O)c2cc1OC 12901175 QWRHTZPOEZVLID-UHFFFAOYSA-N 300.270 1.563 5 40 DDBB biogenic O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@H]1O 78953353 AHCGMURYNYCVBL-GXTWGEPZSA-N 307.350 1.740 5 40 DDBB CCCC[C@H](C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 4162333 OKWNWDANXPWWHI-SNVBAGLBSA-N 306.274 1.834 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2ncnn21 9088125 KUPCGHZZJYLIKM-JTQLQIEISA-N 316.277 1.017 5 40 DDBB Nc1nonc1-c1noc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 3672498 WSZMULWOVQAKMO-UHFFFAOYSA-N 319.193 1.185 5 40 DDBB CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(F)cc1[N+](=O)[O-] 69847996 DKGTUAQXHNHHGQ-SECBINFHSA-N 304.343 1.993 5 40 DDBB CN(Cc1nnc2n1CCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 29077283 NZNJKRXJLCQSTE-UHFFFAOYSA-N 316.321 1.796 5 40 DDBB CC(C)(C)[C@@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 97237210 PGGLZIHUECXYIR-GFCCVEGCSA-N 316.379 1.817 5 40 DDBB O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCc3ccc(F)cc32)c1 72583945 OKXWRNJZANNPOD-ZDUSSCGKSA-N 306.297 1.354 5 40 DDBB COC(=O)/C=C/c1ccc(N[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 95997032 PEGQPQNVROPNST-GFAPAMAISA-N 305.290 1.081 5 40 DDBB O=C(c1ccc([N+](=O)[O-])o1)N1CCCN(C[C@H]2CCCO2)CC1 47633011 NBJFFDBPROBEAA-GFCCVEGCSA-N 323.349 1.515 5 40 DDBB CN(C)C[C@@H](O)Cn1cc(Nc2ccc(F)cc2[N+](=O)[O-])cn1 69779576 DEFOWGUEYMCSEX-GFCCVEGCSA-N 323.328 1.597 5 40 DDBB C[C@H](O)CC(C)(C)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 87425061 NTGBFQVQIVCWCW-JTQLQIEISA-N 312.370 1.440 5 40 DDBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NN1CCCCC1=O 58166371 XIANNRUOINQWTA-UHFFFAOYSA-N 306.322 1.318 5 40 DDBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](CO)C2)c1 26711481 YLNLAQGNNSAXFK-GXTWGEPZSA-N 310.350 1.039 5 40 DDBB O=C(O)C1=C[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2ncnc2N1 102243636 KFGLJPBZFCPSGS-JTQLQIEISA-N 321.680 1.823 5 40 DDBB CNCC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 63159710 SEFNXBZAKABVSC-UHFFFAOYSA-N 313.379 1.215 5 40 DDBB Cc1cccc(C(=O)NC2CCC(C(N)=O)CC2)c1[N+](=O)[O-] 69352128 VIZXFSFSMIBDSH-UHFFFAOYSA-N 305.334 1.677 5 40 DDBB CCCCCC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O 5199378 YPRYKZSBHJQETG-NSHDSACASA-N 324.333 1.993 5 40 DDBB O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Cl 4175777 UCXIUCULNQFYQG-MRVPVSSYSA-N 320.754 1.706 5 40 DDBB O=C(Cn1cnc2ccccc2c1=O)Nc1cccc([N+](=O)[O-])c1 109368 UQFMSYDQKLRBHG-UHFFFAOYSA-N 324.296 1.943 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ncn[nH]1 3446447 LXNUAYVLMMIJOL-UHFFFAOYSA-N 309.307 1.452 5 40 DDBB CN(C)c1nc(N)nc(COc2ccc(Cl)cc2[N+](=O)[O-])n1 23105374 HYABBKBBXSNKOS-UHFFFAOYSA-N 324.728 1.660 5 40 DDBB CC(C)C[C@@H](C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2454793 AGYCESFEZUQKOV-JTQLQIEISA-N 306.274 1.690 5 40 DDBB Cc1ccc2nc(COc3cccnc3[N+](=O)[O-])cc(=O)n2c1 7545027 XWLJKGHUGOGXNX-UHFFFAOYSA-N 312.285 1.885 5 40 DDBB Cn1cc(C(N)=O)c(NCc2ccc([N+](=O)[O-])cc2Cl)n1 97082307 UXCLENSSBOXART-UHFFFAOYSA-N 309.713 1.693 5 40 DDBB O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 36511873 KGFQYWYIUXRREI-SYQIHTCBSA-N 320.276 1.870 5 40 DDBB CCN(CC(=O)NC(C)C)c1ccc(C(N)=O)cc1[N+](=O)[O-] 5689397 CCPCCYHQWOJTMV-UHFFFAOYSA-N 308.338 1.045 5 40 DDBB COCCNC(=O)CN(C)c1ccc([N+](=O)[O-])cc1Cl 15141910 XCFMMMQLPCVMDZ-UHFFFAOYSA-N 301.730 1.447 5 40 DDBB CC(C)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 15499876 SNKUYYYQCIXYFK-UHFFFAOYSA-N 314.363 1.774 5 40 DDBB CCC(N)(CC)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 95431212 FSDOHYKMYXKAOV-UHFFFAOYSA-N 315.395 1.699 5 40 DDBB C[C@H]1CN(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 13100595 QZRLDIGOLDSKGT-AOOOYVTPSA-N 311.313 1.782 5 40 DDBB O=C1NC(=O)C2(COC(c3ccc([N+](=O)[O-])cc3)OC2)S1 4428041 ASFSTNQRKVYNKB-UHFFFAOYSA-N 310.287 1.362 5 40 DDBB Cc1ccc([N+](=O)[O-])c(C)c1OCc1nc(N)nc(N(C)C)n1 54272608 QUYMUAAZESYZCB-UHFFFAOYSA-N 318.337 1.624 5 40 DDBB CCN(C[C@@H]1CCCO1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] 58438081 IRISVBPZTQXNPU-NSHDSACASA-N 318.333 1.608 5 40 DDBB CC(C)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 3340362 PXORESJFSHYCBH-UHFFFAOYSA-N 307.350 1.877 5 40 DDBB CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 12910602 YZFVCUAOWZPHRO-UHFFFAOYSA-N 311.725 1.553 5 40 DDBB O=C(NCc1ccncc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13208454 UINIMUPULFKCCM-UHFFFAOYSA-N 302.246 1.828 5 40 DDBB COc1ccc(/C=C/c2nc3ncnn3c(O)c2[N+](=O)[O-])cc1 16102338 UIMWDPBFKCCWGZ-QPJJXVBHSA-N 313.273 1.917 5 40 DDBB COC1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 69705476 WFEPZDCLKXRVAH-UHFFFAOYSA-N 322.289 1.426 5 40 DDBB COCCCN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 75493677 FEDLMUMWPVFPAQ-UHFFFAOYSA-N 310.354 1.685 5 40 DDBB O=[N+]([O-])c1ccc(Nc2cnn(CCN3CCOCC3)c2)nc1 69740558 LUYXOEQEZDRUFF-UHFFFAOYSA-N 318.337 1.262 5 40 DDBB CN(C1CCC(N)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 91846050 PLJNMRJLUPBLKO-UHFFFAOYSA-N 313.379 1.485 5 40 DDBB O=[N+]([O-])C[C@](O)(c1nccn1Cc1ccccc1)C(F)(F)F 40556075 VGVJNPFZMKJJHO-LBPRGKRZSA-N 315.251 1.958 5 40 DDBB CC(=O)c1ccc(NC(=O)CCCn2cnc([N+](=O)[O-])n2)cc1 215158 NBUJLNJMUBYXDO-UHFFFAOYSA-N 317.305 1.808 5 40 DDBB Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-n2cccn2)n1 92892343 XWXHTUNYQMHYMK-UHFFFAOYSA-N 311.305 1.765 5 40 DDBB O=[N+]([O-])c1ccc2c(c1)[S@@](=O)c1nc([N+](=O)[O-])cnc1N2 5486562 PADQAUGDLBXWOT-NRFANRHFSA-N 307.247 1.517 5 40 DDBB O=[N+]([O-])c1cccc(OS(=O)(=O)C[C@H]2CCCCO2)c1 65541869 MUYVJFUYHSGYLR-GFCCVEGCSA-N 301.320 1.873 5 40 DDBB CN(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 78556720 GVWSKDRLEULTHI-UHFFFAOYSA-N 322.346 1.857 5 40 DDBB Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)OCCO2 72332109 NLSQNMHNBNBYJV-UHFFFAOYSA-N 318.289 1.510 5 40 DDBB O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)c1 6220848 PZQZVERLMAHZBH-NEPJUHHUSA-N 300.336 1.177 5 40 DDBB O=[N+]([O-])c1ncn(C[C@H](O)Cc2ccccc2C(F)(F)F)n1 95438929 NKCUMJIQBCGRLL-SECBINFHSA-N 316.239 1.809 5 40 DDBB O=c1[nH]c(O)nc(/C=C/c2ccc3c(c2)OCO3)c1[N+](=O)[O-] 4538731 DDMIGSXWDRQILX-HNQUOIGGSA-N 303.230 1.283 5 40 DDBB biogenic O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCN2CCCC[C@H]12 68203688 UDZKGOLTPJIMJU-ZIAGYGMSSA-N 318.377 1.750 5 40 DDBB NC(=O)[C@H](CNc1ncccc1[N+](=O)[O-])Cc1ccc(F)cc1 69699017 XNJVHRGOOBKOQW-NSHDSACASA-N 318.308 1.885 5 40 DDBB Cc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)ccc1[N+](=O)[O-] 71847070 GJAPAIYZOZHFSE-ZDUSSCGKSA-N 315.333 1.972 5 40 DDBB COc1ccc(C(=O)N(C)C[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] 89340254 WOXWUJYSSYAVNF-AAEUAGOBSA-N 308.334 1.836 5 40 DDBB NC1=NC(=O)[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 71974638 QGEDLYFPRITRLM-INIZCTEOSA-N 310.313 1.477 5 40 DDBB CCOc1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 33391541 QXTODIVXWYTHGZ-YVMONPNESA-N 303.274 1.953 5 40 DDBB CCOC(=O)[C@@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2OC)C1 45953026 SIRNWHPXJYULPC-SECBINFHSA-N 308.290 1.519 5 40 DDBB Cc1cc(=O)n2c(n1)SC[C@]2(O)c1ccc([N+](=O)[O-])cc1 15228478 CLYGSKXLMJQPAM-ZDUSSCGKSA-N 305.315 1.259 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCCO1 28326709 WRPTWSKKHJBSPR-JQWIXIFHSA-N 314.363 1.749 5 40 DDBB C[S@](=O)c1nncn1Cc1ccc([N+](=O)[O-])cc1Cl 96007241 PSYTUZRYEBZEJM-LJQANCHMSA-N 300.727 1.625 5 40 DDBB CCOC(=O)c1csc(Nc2ncnc(N)c2[N+](=O)[O-])n1 96346862 IOLQPEAVIWECQO-UHFFFAOYSA-N 310.295 1.344 5 40 DDBB O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCc2c(O)cccc21 72277943 WJSDZAITAZTIEX-ZDUSSCGKSA-N 316.317 1.691 5 40 DDBB Cn1cc(N2CCC[C@@H](Nc3ncccc3[N+](=O)[O-])C2)cn1 78368136 GCXAPXRFMZIDHM-LLVKDONJSA-N 302.338 1.804 5 40 DDBB O=C(NCc1ccco1)[C@@H]1CCCN1c1ccncc1[N+](=O)[O-] 79052427 JJRLYTFYEWMTNV-ZDUSSCGKSA-N 316.317 1.868 5 40 DDBB CCC1=C(C(=O)OC)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 7554027 QQXRZOCDKZFFLU-LBPRGKRZSA-N 321.358 1.951 5 40 DDBB COC(=O)C1CCN(CCCNc2ncccc2[N+](=O)[O-])CC1 95351779 JBMXHQXVWCXUNF-UHFFFAOYSA-N 322.365 1.677 5 40 DDBB Cc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] 28326846 FSHYQCVUNFDGGQ-ZWNOBZJWSA-N 314.363 1.749 5 40 DDBB CC[C@H](C)[C@@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])C(N)=O 84721411 LBQBHKQALAQANF-QPUJVOFHSA-N 308.338 1.266 5 40 DDBB CCOC(=O)c1cc([N+](=O)[O-])c(N2CCNCC2)c([N+](=O)[O-])c1 26508903 QDMWOGWLOGRTOF-UHFFFAOYSA-N 324.293 1.089 5 40 DDBB Cc1nc([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(O)c3)C2)n1C 84271564 IZEBGGSTESUAAR-CYBMUJFWSA-N 318.333 1.920 5 40 DDBB C[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C 97115398 QDRTZHLQNKWHQN-ZJUUUORDSA-N 313.379 1.725 5 40 DDBB Cc1ccc([N+](=O)[O-])c(NCCN2CCS(=O)(=O)CC2)c1 88700726 MWMXZGOQLVMORT-UHFFFAOYSA-N 313.379 1.046 5 40 DDBB Cc1cc([N+](=O)[O-])nn1CC(=O)NCCO[C@@H]1CCCC[C@@H]1C 193874110 AOTNOHSMWCQSFE-WCQYABFASA-N 324.381 1.811 5 40 DDBB Cc1ccnc(N2CCN(c3ccc(N)nc3)CC2)c1[N+](=O)[O-] 96406518 CKEIHRWFWUJYCI-UHFFFAOYSA-N 314.349 1.602 5 40 DDBB Cc1ncsc1CN[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 85324912 XVEQBJGQKAZZSH-OCCSQVGLSA-N 323.374 1.544 5 40 DDBB CCCc1noc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 31822133 OMJSPZAGKQMKTE-UHFFFAOYSA-N 304.262 1.887 5 40 DDBB CCN1CCN(CCc2nc3cc([N+](=O)[O-])ccc3n2C)CC1 2438949 NIUGDFAUBVCHKJ-UHFFFAOYSA-N 317.393 1.662 5 40 DDBB Cc1nc2c(sc3nc4ccccc4n32)c(=O)n1CC(N)=O 5728724 HLLSCDDIOMZCRG-UHFFFAOYSA-N 313.342 1.053 5 40 DDBB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1 18053636 GIANUNRALKBLRR-ZDUSSCGKSA-N 324.300 1.746 5 40 DDBB O=C(NCc1ccc[nH]1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 97237993 ZVXZFXVLKCHZBO-CQSZACIVSA-N 314.301 1.732 5 40 DDBB O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)Cc1ccccc1 96436353 XCHVOVCIFPMVQB-MRXNPFEDSA-N 314.341 1.857 5 40 DDBB COC(=O)c1cnc(N[C@H](C)c2nccn2C)c([N+](=O)[O-])c1 585141781 FQMQRTAQQKSBPO-MRVPVSSYSA-N 305.294 1.683 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1)CCC2 6119886 RICMJXWYNKDCRV-UHFFFAOYSA-N 313.313 1.884 5 40 DDBB Nc1nc(N2CCOCC2)nc(N2CCCCCC2)c1[N+](=O)[O-] 5137852 ZSYQTRWEPMTRDZ-UHFFFAOYSA-N 322.369 1.184 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1SCCNC1=O 6660719 WVLUOVDKIHVVGF-LLVKDONJSA-N 309.347 1.463 5 40 DDBB Cc1ncsc1CN[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 85324910 XVEQBJGQKAZZSH-JSGCOSHPSA-N 323.374 1.544 5 40 DDBB COc1ccc2nc(Cc3ccc([N+](=O)[O-])cn3)[nH]c(=O)c2c1 97053026 CBOIPPUZBBXYJB-UHFFFAOYSA-N 312.285 1.826 5 40 DDBB C[C@@H]1CCCCN1Cc1nnnn1Nc1cccc([N+](=O)[O-])c1 804824 ONKRVHGJOQYDJN-LLVKDONJSA-N 317.353 1.831 5 40 DDBB O=C(COC(=O)c1ccccn1)Nc1ccc(F)c([N+](=O)[O-])c1 3248399 GRLNSZOSKRMTCE-UHFFFAOYSA-N 319.248 1.924 5 40 DDBB C[C@](N)(CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC1 69809672 RCYNENCWGOOGRG-ZDUSSCGKSA-N 313.379 1.538 5 40 DDBB Cc1ccn(Cc2nc(-c3ccco3)no2)c(=O)c1[N+](=O)[O-] 96472064 WJVFVGQJMCFZPD-UHFFFAOYSA-N 302.246 1.756 5 40 DDBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CCCO 5344594 HRNJRPIYHSVVHC-UHFFFAOYSA-N 300.270 1.726 5 40 DDBB CCCn1nnc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 568603 VODQBTPOABREDE-UHFFFAOYSA-N 306.282 1.009 5 40 DDBB C[N+](C)(C)CCCNC(=O)c1c(O)[nH]c2ccccc2c1=O 6283297 RBCJYHCWWRSLRR-UHFFFAOYSA-O 304.370 1.060 5 40 DDBB Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCC(C)CC1 58044834 OQCMVRVTPRZQJV-UHFFFAOYSA-N 323.397 1.338 5 40 DDBB Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(N)=O)n(C)c2)c1 95404089 GSMSDVYIYFHFOX-UHFFFAOYSA-N 302.290 1.593 5 40 DDBB COC(=O)CC1(C[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 38420738 MBVCAUFPSDXJJD-UHFFFAOYSA-N 316.354 1.844 5 40 DDBB C[N+]1(C[C@@H](O)COCCO[C@@H]2C[C@H]3CC[C@H]2C3)CCOCC1 245239714 AAKUNFYHSUBHKE-MWDXBVQZSA-N 314.446 1.046 5 40 DDBB O=[N+]([O-])c1cccnc1NC1CCN(c2ncccn2)CC1 52159896 NITHXGZEKLVMCG-UHFFFAOYSA-N 300.322 1.861 5 40 DDBB O=C1CCc2cc(C(=O)Cn3cc([N+](=O)[O-])cn3)c(F)cc2N1 72291230 KEBYEJFARQVVKL-UHFFFAOYSA-N 318.264 1.698 5 40 DDBB CN1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 69456590 ZWGIPXJUXXBUTN-UHFFFAOYSA-N 315.333 1.168 5 40 DDBB NC(=O)c1ccc(Sc2nnc(C(F)F)[nH]2)c([N+](=O)[O-])c1 216904425 OXWCNHAYYWJWGD-UHFFFAOYSA-N 315.261 1.901 5 40 DDBB COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 18210189 YALSXDFXEYVAAF-MPZDIEGVSA-N 316.269 1.046 5 40 DDBB NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 335493 PIUVGHRDIVTALT-UHFFFAOYSA-N 321.314 1.495 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(N2CCC(C)CC2)n1 5162800 XCYCESIRRJKDBB-UHFFFAOYSA-N 310.358 1.262 5 40 DDBB Cc1nnc(SCCc2ccc([N+](=O)[O-])cc2)n1CC(N)=O 69618459 OEKIYLYLCUSMAQ-UHFFFAOYSA-N 321.362 1.315 5 40 DDBB CCN(CC)CCCNc1ccc([N+](=O)[O-])c2no[n+]([O-])c12 5432054 GWGCXMGGQQVJPA-UHFFFAOYSA-N 309.326 1.513 5 40 DDBB Cc1cc([N+](=O)[O-])nn1CC(=O)NCc1nc2ccccc2[nH]1 1430033 XAHKNBKJLREYGP-UHFFFAOYSA-N 314.305 1.292 5 40 DDBB C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1Cl 48222775 LJYDBIJYIBFXPE-QMMMGPOBSA-N 309.713 1.717 5 40 DDBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N(CCO)CCCO 72301719 SCRASRMGLCGNDX-UHFFFAOYSA-N 308.256 1.795 5 40 DDBB CN(C)c1nc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cs1 97235053 ZLXZSQKZBQRXKR-UHFFFAOYSA-N 321.362 1.630 5 40 DDBB COC(=O)[C@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]21 6671691 VVDMOGJPPTWGSX-IUODEOHRSA-N 320.301 1.364 5 40 DDBB O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCn2ccnc2)c1 20458342 ZZXRIAKBAVEVDH-UHFFFAOYSA-N 324.362 1.301 5 40 DDBB CC(C)N1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 69529408 PFUGDOZZRRBZSG-CYBMUJFWSA-N 321.377 1.963 5 40 DDBB COC(=O)c1cc(F)ccc1Cn1cc([N+](=O)[O-])ccc1=O 69773432 BMJOKSPEYMYKIA-UHFFFAOYSA-N 306.249 1.731 5 40 DDBB CNC(=O)c1ccc(N[C@@H]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 95464312 GRTGXVKSYUOJRY-LLVKDONJSA-N 321.333 1.662 5 40 DDBB COC(=O)c1ccc(Oc2ncnc(N)c2[N+](=O)[O-])c(OC)c1 26802718 BVKKWLSCKHQGNV-UHFFFAOYSA-N 320.261 1.555 5 40 DDBB CN1C=C(C(=O)NCC[N+]2(C)CCCCC2)C=C/C1=C/N=O 33896328 BSJNNZPAMBTIOM-QINSGFPZSA-O 305.402 1.726 5 40 DDBB NC(=O)[C@H]1C[C@@H](O)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33010938 IDTPKXCYXFDUOD-GMSGAONNSA-N 319.239 1.039 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])n1)OCC12CC3CC(CC(C3)C1)C2 52744532 SKDSMFXNJXJBTK-UHFFFAOYSA-N 320.349 1.946 5 40 DDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])s1)Nc1cccnc1 66099369 UMMHCHUBZZLLCQ-UHFFFAOYSA-N 320.330 1.810 5 40 DDBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)NC(=O)NC(C)C 31459497 IIANZEDLFFWZEU-UHFFFAOYSA-N 309.322 1.825 5 40 DDBB CC12CN3CC(C)(CN(C1)C3c1cccc([N+](=O)[O-])c1)C2O 19318758 LEAOVHVGIFLAFF-UHFFFAOYSA-N 303.362 1.612 5 40 DDBB biogenic CCn1ncc(CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)c1C 2777932 BZKWLHNLXCRACV-UHFFFAOYSA-N 306.326 1.125 5 40 DDBB CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cnn(CC)c2C)n1 2778258 UPMSMFPDMVDZKZ-UHFFFAOYSA-N 320.353 1.608 5 40 DDBB O=[N+]([O-])c1ccc(O[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 3240128 UIMXNDCYXXUKEJ-MRVPVSSYSA-N 302.264 1.069 5 40 DDBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 28023572 XDBBXKDPOSYBLF-SNAWJCMRSA-N 318.329 1.974 5 40 DDBB CCn1ncc(CN(C)C(=O)c2nn(C)cc2[N+](=O)[O-])c1C 2778051 RNSJEBPRPNCMPS-UHFFFAOYSA-N 306.326 1.125 5 40 DDBB COC(=O)c1cc(OC(=O)c2cccc([N+](=O)[O-])c2)n(C)n1 408552915 LQWCWMAFFDBEHR-UHFFFAOYSA-N 305.246 1.334 5 40 DDBB CC(C)OC(=O)N1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 71903145 QSTKMHGBJGGMAK-UHFFFAOYSA-N 311.342 1.750 5 40 DDBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc2ccccn12 79029260 WAOPSCNYUPTYML-UHFFFAOYSA-N 319.302 1.438 5 40 DDBB NC(=O)C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])C1CCOCC1 96494556 NDCRDXDASMKUOE-GFCCVEGCSA-N 311.313 1.816 5 40 DDBB CN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cnc1N 97375214 UZLORKWVJYFSEQ-UHFFFAOYSA-N 300.318 1.887 5 40 DDBB O=[N+]([O-])c1cnn(-c2cnc3c(Br)cnn3c2)c1 685936542 DZZMDSHFBMNOMK-UHFFFAOYSA-N 309.083 1.586 5 40 DDBB COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12 13130211 CRANETCJDDEINO-UHFFFAOYSA-N 314.253 1.499 5 40 DDBB biogenic,in-man O=[N+]([O-])c1cnc(N[C@H]2CCCS(=O)(=O)C2)c(Cl)c1 95403249 GRRUWXIHAWYYPX-ZETCQYMHSA-N 305.743 1.632 5 40 DDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2OCCO2)C1 69310308 IQFJPFBELOBHEW-LBPRGKRZSA-N 306.318 1.820 5 40 DDBB Cc1cc(C(=O)N(C)C[C@H](C)c2nnn[nH]2)cc([N+](=O)[O-])c1 124015370 QMYYGVAYJMDORB-VIFPVBQESA-N 304.310 1.292 5 40 DDBB Cn1ccnc1N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 80693045 FTYHUQGISZCRRB-UHFFFAOYSA-N 305.313 1.794 5 40 DDBB Cc1ccoc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 75092324 LPQYQBYKSPSSJT-UKRRQHHQSA-N 306.318 1.680 5 40 DDBB COC(=O)c1c(I)cccc1[N+](=O)[O-] 1646463 MQGSUXFZAANPQE-UHFFFAOYSA-N 307.043 1.986 5 40 DDBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1O 9234898 KPRKULJGDYAYBH-HWKANZROSA-N 305.246 1.268 5 40 DDBB O=C1c2ccccc2C(=O)N1CCCn1ccc([N+](=O)[O-])n1 67796673 IRQDZYZZBPIGFY-UHFFFAOYSA-N 300.274 1.478 5 40 DDBB C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCC2 66966715 DYADDGNRIZUGMD-JTQLQIEISA-N 315.333 1.552 5 40 DDBB CCCn1nc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1=O 7783502 HNWQVYYDOPOZPY-UHFFFAOYSA-N 317.301 1.919 5 40 DDBB C[C@H]1CC[C@H](C(N)=O)CN1CCOc1ccccc1[N+](=O)[O-] 69617147 NWPKJPDCRKWPNX-RYUDHWBXSA-N 307.350 1.559 5 40 DDBB CC1CCN([C@@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)CC1 18219874 FSGVAJOJCPNDMV-CQSZACIVSA-N 317.345 1.959 5 40 DDBB CCC(CC)(CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)O 95464103 QAUPOSIKWLEFNL-UHFFFAOYSA-N 309.322 1.798 5 40 DDBB CCOC(=O)c1[nH]nc([N+](=O)[O-])c1I 72339190 WVGXOEZZUCUFTJ-UHFFFAOYSA-N 311.035 1.099 5 40 DDBB O=C(c1ccoc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 26715487 LCDZAPGOQXIEDL-UHFFFAOYSA-N 302.290 1.545 5 40 DDBB CC(=O)Oc1cc(=O)oc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 16321801 MFKLGRWMIKDNCV-UHFFFAOYSA-N 321.201 1.444 5 40 DDBB Cc1cccc(C(=O)N[C@H](C(N)=O)c2ccccc2)c1[N+](=O)[O-] 54691434 WFOXVCJOICFNJK-ZDUSSCGKSA-N 313.313 1.860 5 40 DDBB NS(=O)(=O)c1cccc(CNc2ccc([N+](=O)[O-])cn2)c1 24658805 ZSGIJNGIBQTGNN-UHFFFAOYSA-N 308.319 1.249 5 40 DDBB CC(C)C(=O)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 25246912 RESORSODJWCFEO-UHFFFAOYSA-N 319.361 1.972 5 40 DDBB O=C(Cn1cccn1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 24972220 MKGWUBWUKCJRJJ-UHFFFAOYSA-N 315.333 1.140 5 40 DDBB CC[C@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 12872273 FIRRXVQVTCPJOB-JTQLQIEISA-N 319.317 1.259 5 40 DDBB Cc1c([N+](=O)[O-])cc(C(=O)NCc2cnn(C)c2)cc1[N+](=O)[O-] 2767207 GKDZTSAVAVTXSH-UHFFFAOYSA-N 319.277 1.475 5 40 DDBB Cc1cc(N2CCN([C@@H]3CCCN(C)C3)CC2)ncc1[N+](=O)[O-] 74763627 NGPYHODIHMJMGB-CQSZACIVSA-N 319.409 1.514 5 40 DDBB Cc1ccccc1CN1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 44507330 RMIWYKZKMKGBCS-HOTGVXAUSA-N 317.389 1.695 5 40 DDBB CNC(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5659647 UZAZTEYBLNREFH-UHFFFAOYSA-N 321.333 1.488 5 40 DDBB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] 101177217 CKMSJAAODSOZCP-NUZBWSBOSA-N 318.329 1.912 5 40 DDBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2[nH]c(=O)[nH]c2c1 15541754 CUISUNNJAGCCPH-UHFFFAOYSA-N 312.285 1.946 5 40 DDBB CCOC(=O)[C@H]1CC(=O)N(c2cc([N+](=O)[O-])ccc2OC)C1 45953029 SIRNWHPXJYULPC-VIFPVBQESA-N 308.290 1.519 5 40 DDBB CN(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 575419901 AJRSBCBNIVZKOR-CYBMUJFWSA-N 313.379 1.061 5 40 DDBB C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)O1 75110060 NTDOQKNLDRTRMK-GHMZBOCLSA-N 324.385 1.268 5 40 DDBB O=c1c([N+](=O)[O-])c(NCC[C@@H]2CCCO2)nc2ccccn12 24202930 DBOZBULIMQKSLH-JTQLQIEISA-N 304.306 1.584 5 40 DDBB NS(=O)(=O)c1ccc(CCNc2ccccc2[N+](=O)[O-])cc1 6816058 HKFVGXGSQFZZDY-UHFFFAOYSA-N 321.358 1.897 5 40 DDBB O=C1NC(=O)C2(CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)N1 12595057 NHDXFTSTJBWDJZ-UHFFFAOYSA-N 324.724 1.427 5 40 DDBB Cc1nn(CC(=O)NC(=O)NC2CCCCC2)c(C)c1[N+](=O)[O-] 8428883 YYFFPBYWYAAREF-UHFFFAOYSA-N 323.353 1.567 5 40 DDBB Cn1nc2c(c1NC(=O)COc1cccc([N+](=O)[O-])c1)CCC2 65542351 VLIHHHOLNPCQCV-UHFFFAOYSA-N 316.317 1.835 5 40 DDBB O=C(NCCc1nncn1C1CC1)Nc1ccc([N+](=O)[O-])cc1 72294026 JJTJEHRCZVCILM-UHFFFAOYSA-N 316.321 1.885 5 40 DDBB O=C(c1cc[nH]n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 72290004 KPMOJMCXJVRNRH-VIFPVBQESA-N 302.294 1.040 5 40 DDBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 36046387 GDYKLRVZRPIDKJ-FNFFVJSTSA-N 300.270 1.346 5 40 DDBB O=[N+]([O-])c1ccc(N2CC[C@@H](CN3CCOCC3)C2)c(F)c1 96429718 CYSMWUBMVYTWKS-LBPRGKRZSA-N 309.341 1.892 5 40 DDBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 178704 HAOQAKSTJMZPAN-FOCJUVANSA-N 314.297 1.736 5 40 DDBB COC(=O)c1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] 108170943 QPTKIYNOGJLBGG-NHYWBVRUSA-N 319.361 1.912 5 40 DDBB COc1cc(C(=O)O[C@H]2CCOC2=O)c([N+](=O)[O-])cc1OC 3449706 DMAZIASIJDJDRZ-VIFPVBQESA-N 311.246 1.084 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NOCc1ccccc1 65593703 MDWMEZLZWLBHEZ-UHFFFAOYSA-N 303.274 1.005 5 40 DDBB C[C@@](CCC(=O)O)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 1683204 JPCSDMAVHSDIKO-ZDUSSCGKSA-N 310.262 1.033 5 40 DDBB CCC1(CC)[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)[C@H](C)[C@H]1OC 245316766 KORSNSKHDNNRBF-ZWKOPEQDSA-N 324.381 1.898 5 40 DDBB NS(=O)(=O)c1cccc(CNc2ncccc2[N+](=O)[O-])c1 24658370 WQWKSDWYMXYUKV-UHFFFAOYSA-N 308.319 1.249 5 40 DDBB O=C(NCCCN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 25336797 HHSZBDFUZKSADU-UHFFFAOYSA-N 308.338 1.439 5 40 DDBB C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1ccc([N+](=O)[O-])cc1 95397347 OLNJNXYFYDEDBS-DOMZBBRYSA-N 321.377 1.710 5 40 DDBB C[C@@H]1CCCCN1c1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-] 26508748 FMWQXTZYHFEZCR-MRVPVSSYSA-N 308.294 1.981 5 40 DDBB NC(=O)c1ccc(CSc2nnc(N)s2)c([N+](=O)[O-])c1 9483121 OGHNJOINQUCKSR-UHFFFAOYSA-N 311.348 1.420 5 40 DDBB O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCCc3ccccc32)c1 81156959 QRQXZXDZVXSUBX-OAHLLOKOSA-N 316.361 1.995 5 40 DDBB CCn1ncc([N+](=O)[O-])c1C(=O)NCCCn1ccc(C)n1 72334178 KGJOPCKYYYCLHM-UHFFFAOYSA-N 306.326 1.136 5 40 DDBB O=C(O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O 966703 JHSDXTLOBRHGEP-WEVVVXLNSA-N 308.271 1.716 5 40 DDBB COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 82041 KFMZVNMQKWRVHI-LLVKDONJSA-N 304.302 1.954 5 40 DDBB O=[N+]([O-])c1cccnc1NCCS(=O)(=O)c1ccccc1 43272436 UKYCLHMSYPXMCQ-UHFFFAOYSA-N 307.331 1.876 5 40 DDBB CC(C)OCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 25712138 HGVXHYRFPAOXBR-UHFFFAOYSA-N 324.333 1.911 5 40 DDBB Cc1ccc(NC(=O)CN(C)C[C@H]2CCCO2)cc1[N+](=O)[O-] 58332317 DDQTVRDFRDCIEC-CYBMUJFWSA-N 307.350 1.953 5 40 DDBB Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)o1 15017284 HDVUNXGWFGJPCO-HNNXBMFYSA-N 316.269 1.909 5 40 DDBB CC(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 72273600 FRXVORQWJXECNT-SNVBAGLBSA-N 323.324 1.859 5 40 DDBB C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C(=O)O)O1 95991968 LJXOKNBGSIVUCQ-RDWLMQIYSA-N 320.301 1.309 5 40 DDBB CNS(=O)(=O)C[C@@H]1CCCN1c1ccc(C)cc1[N+](=O)[O-] 89626365 ZVFCUISOHCSTQR-NSHDSACASA-N 313.379 1.421 5 40 DDBB CN(C)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1(C)C 585142392 WATQHRGJQWPYNU-GHMZBOCLSA-N 307.354 1.229 5 40 DDBB C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1cc([N+](=O)[O-])cn1 47002496 WVDFOBSNLXXELG-AAEUAGOBSA-N 310.354 1.503 5 40 DDBB CC[N+](CC)(CC)CCOC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 5352054 BZRJPXIAPWLIOZ-KHMAMNHCSA-N 310.414 1.604 5 40 DDBB Cn1ncc([N+](=O)[O-])c1-c1nn2c(C(F)F)nnc2s1 20606000 QSAKQFNQLJMEKE-UHFFFAOYSA-N 301.238 1.432 5 40 DDBB CCN1CCN(c2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])CC1 26508801 UEJKLVRZWJKTME-UHFFFAOYSA-N 324.293 1.343 5 40 DDBB Cc1cc(C(=O)NC[C@H](O)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 95456554 KXXTWBHCWSOBBR-LBPRGKRZSA-N 324.333 1.336 5 40 DDBB CCCn1nnnc1COC(=O)c1ccc(C)c([N+](=O)[O-])c1 8203810 XULUOTDSHUJAAP-UHFFFAOYSA-N 305.294 1.657 5 40 DDBB O=C1C[C@H](N2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 22117961 BIONVTNEDKVIAY-ZDUSSCGKSA-N 303.318 1.713 5 40 DDBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 20606240 UYOHAZXKVJSVJY-UTUOFQBUSA-N 308.334 1.998 5 40 DDBB CCOCCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 42136482 VKYSMVXXGWNCSV-CQSZACIVSA-N 307.306 1.398 5 40 DDBB O=[N+]([O-])c1cnn(-c2ncnc3c2cnn3-c2ccccc2)c1 79054683 XYIGSNMJOZKBRU-UHFFFAOYSA-N 307.273 1.909 5 40 DDBB CCn1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 6490312 DXOQAIPQYYNZJU-UHFFFAOYSA-N 310.335 1.290 5 40 DDBB CSCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O 9305046 HCJQNAZTZLMJTA-NSHDSACASA-N 312.347 1.460 5 40 DDBB Cn1nc([N+](=O)[O-])nc1S(=O)(=O)c1ccc(Cl)cc1 19828856 MOGNTXSFXQKVBD-UHFFFAOYSA-N 302.699 1.210 5 40 DDBB COCCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 71886532 PZGUGNBHXNCFAQ-GFCCVEGCSA-N 307.350 1.354 5 40 DDBB O=C(Nc1nnc(C2=COCCO2)o1)c1ccc([N+](=O)[O-])cc1 4264385 URPSDNDKRGVAPU-UHFFFAOYSA-N 318.245 1.575 5 40 DDBB O=[N+]([O-])c1cccnc1NC[C@@H]([C@H]1CCOC1)N1CCOCC1 25067427 OAXSLFXQPPWCGU-JSGCOSHPSA-N 322.365 1.139 5 40 DDBB COc1cccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c1OC 9234970 CVLULYRPLFJFRB-VOTSOKGWSA-N 319.273 1.571 5 40 DDBB O=[N+]([O-])c1cnn(C[C@@H](O)Cn2cnc3cc(F)c(F)cc32)c1 76081933 VRKYTEXGAWTTMB-VIFPVBQESA-N 323.259 1.480 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] 2308295 MISMCVSBJJARLQ-UHFFFAOYSA-N 321.249 1.497 5 40 DDBB CN(C)C(=O)[C@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] 28623871 ONLSGBGHVIKUJR-MRVPVSSYSA-N 309.351 1.361 5 40 DDBB CC[N+](C)(CC)C[C@H](O)COC[C@@H]1COc2ccccc2O1 2692837 SZEZZCJEWYJFKE-LSDHHAIUSA-N 310.414 1.690 5 40 DDBB Cc1nc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 71882341 TYGPUJWBYYMGDW-QMMMGPOBSA-N 321.362 1.818 5 40 DDBB CN(C)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 83844067 FIRRJWFORCXTMQ-UHFFFAOYSA-N 316.155 1.882 5 40 DDBB CN1C(=O)NC2(CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O 89374639 UOOQAWGEQIEIIT-UHFFFAOYSA-N 304.306 1.115 5 40 DDBB CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cnn(C)c1 128827224 VAWQVSRXUUGHKK-UHFFFAOYSA-N 321.312 1.932 5 40 DDBB C[S@@](=O)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 69631303 DTUFTYHRVQPIJU-IBGZPJMESA-N 302.377 1.182 5 40 DDBB Cc1nn(C)c(C(=O)Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-] 1002555 FPELDEJNSUGPSU-UHFFFAOYSA-N 304.262 1.618 5 40 DDBB CO[C@H]1CCCC[C@H]1OC(=O)CCn1cc([N+](=O)[O-])nc1C 84271901 SQAIXOLLVUGVMV-NWDGAFQWSA-N 311.338 1.991 5 40 DDBB Nc1cccc2c1C(=O)N(C(=O)c1cccc([N+](=O)[O-])c1)C2=O 3337975 CFYFCQTYAQHHMR-UHFFFAOYSA-N 311.253 1.613 5 40 DDBB Cc1c(NC(=O)N[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] 48302165 DZEMNCUMECRVKG-VIFPVBQESA-N 313.335 1.212 5 40 DDBB Cn1cnnc1SCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] 5118693 CVJZJEPSDWIBIK-UHFFFAOYSA-N 311.298 1.593 5 40 DDBB CS(=O)(=O)c1ccc(N2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 15209948 XZZVJZIENIKFDN-JTQLQIEISA-N 314.363 1.207 5 40 DDBB Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccccc2O)CC1 8133793 PPPAMKWFXAQMQY-UHFFFAOYSA-N 303.322 1.361 5 40 DDBB Cc1nc(-c2cccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])c2)n[nH]1 547755681 FBRGFUKSTANLKQ-UHFFFAOYSA-N 313.277 1.664 5 40 DDBB Cc1cc2c(cnc3ncnn32)c(=O)n1-c1cccc([N+](=O)[O-])c1 38783912 CTJFWWJLFSUQNG-UHFFFAOYSA-N 322.284 1.645 5 40 DDBB COc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cn1 425993 DXPHVMRYYSCEDF-UHFFFAOYSA-N 305.294 1.450 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]1c1cccs1 53835623 DMBXANRGXSDBLP-VIFPVBQESA-N 307.335 1.612 5 40 DDBB Cc1ccc(OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])n1 9662750 YQEFTPLHTBWGHM-GHMZBOCLSA-N 309.322 1.313 5 40 DDBB CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C(N)=O 69563314 YNRHXDXXQQPDQD-CYBMUJFWSA-N 307.350 1.832 5 40 DDBB CCOC(=O)c1ccc(NC(=O)/C=C\C(=O)O)cc1[N+](=O)[O-] 34776396 IJJRQEMITZGAMI-WAYWQWQTSA-N 308.246 1.351 5 40 DDBB CCN(CC(=O)NCCCOC)Cc1cccc([N+](=O)[O-])c1 30967480 BAGJPAVSQCJVLD-UHFFFAOYSA-N 309.366 1.569 5 40 DDBB COC(=O)c1cc(Cn2ccc(=O)c([N+](=O)[O-])c2)c(C)s1 96467971 ARGSFMWRCSZQPB-UHFFFAOYSA-N 308.315 1.961 5 40 DDBB CCc1nnsc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 22689174 DTWYAIWSMIGWAS-LLVKDONJSA-N 322.346 1.472 5 40 DDBB O=C1NC[C@@H](CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)O1 1378695 DFZJCILMJVUVSY-VIFPVBQESA-N 322.302 1.845 5 40 DDBB C[C@@H]1CCCCN1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N 6899328 KTVGANCJGKCBJU-SNVBAGLBSA-N 321.333 1.735 5 40 DDBB C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)n1cc([N+](=O)[O-])cn1 2732804 SWHQDANMWBNOAV-MRVPVSSYSA-N 304.262 1.689 5 40 DDBB O=C(NCCc1cccs1)NCCn1cc([N+](=O)[O-])cn1 95426017 JSKHRMCLFKSYIF-UHFFFAOYSA-N 309.351 1.395 5 40 DDBB COC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cn1C 13001592 NUJIXAINSQQRNR-UHFFFAOYSA-N 303.274 1.972 5 40 DDBB O=C(COC(=O)c1ccc(=O)[nH]c1)Nc1ccc([N+](=O)[O-])cc1 13778535 SGPUTNQOGKBNMG-UHFFFAOYSA-N 317.257 1.079 5 40 DDBB Nc1c(NCc2cccc([N+](=O)[O-])c2)ncnc1-n1cccn1 95431643 ALRJCZSSURRJBK-UHFFFAOYSA-N 311.305 1.765 5 40 DDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@](O)(C(F)(F)F)C1 98013069 QBCSFFWJGQXPRP-LLVKDONJSA-N 304.224 1.734 5 40 DDBB CCc1ccc([C@@H](COC)NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])o1 96423858 WGFMIGGYOSMYMS-SNVBAGLBSA-N 322.321 1.899 5 40 DDBB O=C(CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCCO2 278190315 BXKOHMLGJQFJTI-UHFFFAOYSA-N 303.274 1.836 5 40 DDBB O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c1 6220851 PZQZVERLMAHZBH-VXGBXAGGSA-N 300.336 1.177 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Cl)cn1 43734701 KZQHQUBJCYZHRK-UHFFFAOYSA-N 308.681 1.444 5 40 DDBB NC(=O)c1ccc(Sc2nnc3ccccn23)c([N+](=O)[O-])c1 3342085 UAEZTPZSUKKATI-UHFFFAOYSA-N 315.314 1.888 5 40 DDBB Cc1ccc(NC(=O)Cc2nc3ncccn3n2)cc1[N+](=O)[O-] 45766153 MEBOWOFNSWBCLP-UHFFFAOYSA-N 312.289 1.522 5 40 DDBB COCc1noc(CN2CCc3ncc([N+](=O)[O-])cc3C2)n1 97110169 SSDALUQIRURMBM-UHFFFAOYSA-N 305.294 1.078 5 40 DDBB Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1cccc(O)c1 68431909 BEDFJZRCYOKNKL-UHFFFAOYSA-N 304.306 1.464 5 40 DDBB CCc1nc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1 72665056 GQYXMHPDDVGRER-JTQLQIEISA-N 318.337 1.622 5 40 DDBB Cn1nc(C2CCCC2)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] 97082030 PTDQXJWLRSSMAC-UHFFFAOYSA-N 304.310 1.961 5 40 DDBB CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 97233129 LRHJFFKNWZODPN-UHFFFAOYSA-N 319.361 1.784 5 40 DDBB CC(C)CNC(=O)COC(=O)COc1ccccc1[N+](=O)[O-] 3509582 FAYFYDRCFHDZEN-UHFFFAOYSA-N 310.306 1.289 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])n1)NC12CC3CC(CC(C3)C1)C2 4611883 GMRNITDGXUHIRC-UHFFFAOYSA-N 305.338 1.271 5 40 DDBB Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCN 95967020 SXXOXKRMDCITIN-UHFFFAOYSA-N 307.759 1.184 5 40 DDBB CN1C[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1=O 96416505 BXRCHIZRMMYXBL-ZDUSSCGKSA-N 319.361 1.512 5 40 DDBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](CO)C2)c1 36427640 YLNLAQGNNSAXFK-OCCSQVGLSA-N 310.350 1.039 5 40 DDBB NC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])o1 10255835 FVTOILZWSDFFCS-SNVBAGLBSA-N 301.258 1.245 5 40 DDBB COC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1 3351096 DWWQPHGKLRAJCW-SSDOTTSWSA-N 302.308 1.212 5 40 DDBB O=C(COC(=O)c1ccc(=O)[nH]c1)c1ccc([N+](=O)[O-])cc1 4576470 VSJBRINBPRKHEN-UHFFFAOYSA-N 302.242 1.323 5 40 DDBB Cc1ccnc2nc(C(=O)OCc3ccccc3[N+](=O)[O-])nn12 25114193 KLMPJLLRHHDBAX-UHFFFAOYSA-N 313.273 1.698 5 40 DDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC([C@@H](O)c2ccccc2)CC1 48264312 GYJQTSBVQZWZCD-ILXRZTDVSA-N 304.346 1.624 5 40 DDBB O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C1 68029424 GLBHYCZAOCSYMW-BNOWGMLFSA-N 323.393 1.339 5 40 DDBB C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)OCO2 95984380 MAXOKTYICDKUOG-JTQLQIEISA-N 304.306 1.871 5 40 DDBB CN1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 69844545 YRSJAGIAWRMDTN-LLVKDONJSA-N 313.379 1.215 5 40 DDBB CO[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H](CN)C1 195557580 CPPRCOJDIZYHLY-KGLIPLIRSA-N 307.350 1.482 5 40 DDBB CCNC(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 97095538 DNRZFXCSTZMYIH-UHFFFAOYSA-N 311.725 1.456 5 40 DDBB CCOC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc23)C1 4698461 XEDJVNFXFCOYKM-VIFPVBQESA-N 320.305 1.911 5 40 DDBB Cn1cnnc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 43341767 KZVURCRUDCVBJS-UHFFFAOYSA-N 310.701 1.698 5 40 DDBB O=C(Nc1ccccc1CN1CCSCC1)[C@H]1C[C@@H]1[N+](=O)[O-] 65494992 BBYFDUVVQYOHIN-JSGCOSHPSA-N 321.402 1.839 5 40 DDBB CC(=O)NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 67366449 ZWCWJRGBTCEKCZ-LBPRGKRZSA-N 305.334 1.583 5 40 DDBB Cc1nn(C)c(C)c1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] 97033696 KEOMNVXDVLXBFW-UHFFFAOYSA-N 306.326 1.031 5 40 DDBB C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[S@@](C)=O 97095542 PHANIIOSRNCOHY-IIYDVTGLSA-N 304.755 1.745 5 40 DDBB CCC1([N+](=O)[O-])COP(=O)(NCc2ccncc2)OC1 13283272 QXBJXLBKFRPYLI-UHFFFAOYSA-N 301.239 1.752 5 40 DDBB CSC1=NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2711369 LXIWXKLPOLTNIC-UHFFFAOYSA-N 301.349 1.318 5 40 DDBB Cc1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 3387402 UJBFUCLAUIPZHC-LBPRGKRZSA-N 322.317 1.355 5 40 DDBB Cn1nnnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 2660385 ZSQVUJUHZYDQQC-UHFFFAOYSA-N 309.307 1.277 5 40 DDBB O=C(CCNc1ccc([N+](=O)[O-])cn1)NCc1cccnc1 13734060 WXNIITUBNPRWLL-UHFFFAOYSA-N 301.306 1.503 5 40 DDBB NS(=O)(=O)CCCNc1nc2ccc([N+](=O)[O-])cc2s1 69778043 IBLWUYAFJKHIKN-UHFFFAOYSA-N 316.364 1.295 5 40 DDBB C[C@@H](c1cnn(C)c1)N(C)C(=O)c1ccc(O)c([N+](=O)[O-])c1 97374977 OBCVNCNOVYHXPM-VIFPVBQESA-N 304.306 1.867 5 40 DDBB NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 5003477 AVRFBVUYWPCENE-UVTDQMKNSA-N 311.297 1.851 5 40 DDBB O=C(O)[C@H](Cc1cnc[nH]1)NSc1ccccc1[N+](=O)[O-] 16450551 SOSLVRIJNNVZAY-VIFPVBQESA-N 308.319 1.611 5 40 DDBB CC(C)CN[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 3354662 BDFATPKDJNCZEI-LBPRGKRZSA-N 309.322 1.622 5 40 DDBB CC[C@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 40497166 KRNWDUUHCSULQU-LBPRGKRZSA-N 321.381 1.027 5 40 DDBB CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 346435 BQVYUQIDNMOXRH-LLVKDONJSA-N 307.350 1.818 5 40 DDBB Cc1cc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])no1 3338058 ODRKOKVURSYFKD-UHFFFAOYSA-N 305.246 1.687 5 40 DDBB O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1ccccn1 89813907 SGNOUUPCHQALSD-UHFFFAOYSA-N 321.358 1.652 5 40 DDBB COCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 35101464 HDNBSOLDYBZCMQ-UHFFFAOYSA-N 308.743 1.563 5 40 DDBB CC[C@@H](C)n1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O 40398649 LZYDBCQWJFDBHT-LLVKDONJSA-N 312.373 1.880 5 40 DDBB Cc1ccc([N+](=O)[O-])c(C(=O)OCCn2ccccc2=O)c1 96441879 BQKGFJSWWCPKKW-UHFFFAOYSA-N 302.286 1.922 5 40 DDBB CCO[C@H](C)c1noc(Cn2cc([N+](=O)[O-])c(C)cc2=O)n1 96474488 KQNTUGUDPMAMLR-SECBINFHSA-N 308.294 1.594 5 40 DDBB CCC1(CC)[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)[C@H]1OC 245316765 KORSNSKHDNNRBF-OASPWFOLSA-N 324.381 1.898 5 40 DDBB CN(C)c1ccc([N+](=O)[O-])c(OCC(=O)c2cnn(C)c2)c1 79001471 JSBBGZXMDMZROX-UHFFFAOYSA-N 304.306 1.656 5 40 DDBB O=[N+]([O-])c1ccccc1/C=C/c1nc(O)nc(O)c1[N+](=O)[O-] 5583296 GYPFQPJIWFHBNP-AATRIKPKSA-N 304.218 1.875 5 40 DDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccno2)CC1 77359212 DWVRELHZMADHQV-UHFFFAOYSA-N 316.317 1.541 5 40 DDBB O=[N+]([O-])c1ccccc1NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 24203845 ZDJZTZRRMMYCEW-CJNGLKHVSA-N 321.377 1.744 5 40 DDBB O=[N+]([O-])c1c(NC[C@@H]2CN3CCC[C@H]3CO2)nc2ccccn12 106167015 BCBWZWHJUWXEHY-NWDGAFQWSA-N 317.349 1.518 5 40 DDBB CCCc1[nH]nc(C(=O)Nc2ccnc3ccnn23)c1[N+](=O)[O-] 72291699 DFMIQRNQAGOFBN-UHFFFAOYSA-N 315.293 1.565 5 40 DDBB C[C@H](NC(=O)CNC(=O)c1cc([N+](=O)[O-])cn1C)c1ccco1 9448100 XXGGBTSYIAYDDT-VIFPVBQESA-N 320.305 1.134 5 40 DDBB CCc1ccc(OCc2cc(=O)n(C)c(=O)n2C)c([N+](=O)[O-])c1 71908703 BILUMOVNDKKNJH-UHFFFAOYSA-N 319.317 1.134 5 40 DDBB Cc1[nH]nc(C(=O)NC[C@@H](C)Oc2ccccc2)c1[N+](=O)[O-] 72822426 DLBAYEWSJRGUBF-SECBINFHSA-N 304.306 1.824 5 40 DDBB CCc1nc(Cn2nnnc2Cc2ccc([N+](=O)[O-])cc2)no1 69775416 PFYSSOBZHYOWRK-UHFFFAOYSA-N 315.293 1.166 5 40 DDBB CC(C)c1nnc(Cn2nnc(-c3cccc([N+](=O)[O-])c3)n2)o1 96424971 IDEFDWRKBMYJAO-UHFFFAOYSA-N 315.293 1.803 5 40 DDBB Cc1cc(NC2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] 51620920 UIQDFSMMSVXARQ-UHFFFAOYSA-N 313.379 1.739 5 40 DDBB CCN(CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 6435767 JXHCBKXMCLKRFZ-UHFFFAOYSA-N 301.368 1.215 5 40 DDBB CC1(C)CC(=O)c2sc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])nc2C1 58371635 RXGGDXCLAJSUSC-XPUUQOCRSA-N 309.347 1.902 5 40 DDBB NCCCNc1nc(N)c([N+](=O)[O-])c(NC2CCCCC2)n1 5187080 FKEMKIOGVDPJJH-UHFFFAOYSA-N 309.374 1.472 5 40 DDBB C[C@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1ccc([N+](=O)[O-])cc1 95397349 OLNJNXYFYDEDBS-IUODEOHRSA-N 321.377 1.710 5 40 DDBB Cc1c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c2cc(=O)n1C 12322991 ABXHPXVETLKFRT-UHFFFAOYSA-N 300.274 1.234 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]2CCCC[C@H]2C1 7020429 KQAVBIDOYUHKCJ-STQMWFEESA-N 319.361 1.795 5 40 DDBB CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC2)CC1 48261503 FGRHWPFPLVBEIV-UHFFFAOYSA-N 318.377 1.993 5 40 DDBB Cc1noc(C)c1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 3368751 HIJPUNNAWGCVOU-UHFFFAOYSA-N 301.258 1.996 5 40 DDBB CC1CCN(CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 48342476 LQFMHNMKZUZHER-UHFFFAOYSA-N 321.377 1.822 5 40 DDBB COC(=O)c1ccc(Cn2ccc(=O)c([N+](=O)[O-])c2)cc1F 96467963 LPCDROVPNLYBKB-UHFFFAOYSA-N 306.249 1.731 5 40 DDBB C[C@@]1(OC(=O)c2ccccc2)CS(=O)(=O)C[C@@]1(C)[N+](=O)[O-] 5534885 AFXJUGLTXJFMGT-CHWSQXEVSA-N 313.331 1.066 5 40 DDBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccnc2nc(N)nn12 1401860 YLNDUGRCAQBXOT-QMMMGPOBSA-N 300.278 1.755 5 40 DDBB Cc1cc(OCc2nc(N)nc(N(C)C)n2)ccc1[N+](=O)[O-] 8944516 ZIZUKPWGWUDAAK-UHFFFAOYSA-N 304.310 1.315 5 40 DDBB COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](N3CC=CC3)C2)c1 102088769 YCGRYTHBBJZDMO-ZDUSSCGKSA-N 317.345 1.832 5 40 DDBB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 101356533 FRGLHYCBNUERGJ-HMEQZMJYSA-N 314.297 1.818 5 40 DDBB NC(=O)C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 21504091 OREILYFHXRAZEH-UHFFFAOYSA-N 311.725 1.586 5 40 DDBB C[C@H](CN(C)C(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)O 95425217 PYRXJFKCQHHIKA-SNVBAGLBSA-N 309.322 1.576 5 40 DDBB Cn1ccnc1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 95976059 MNCCCDWRCWVWBM-UHFFFAOYSA-N 303.322 1.370 5 40 DDBB O=C(NCCO)c1ccc2nc3[nH]c4ccccc4c3nc2c1 408721262 FXINZMWJAQSHNP-UHFFFAOYSA-N 306.325 1.986 5 40 DDBB CNS(=O)(=O)Cc1ccc2[nH]cc(CC[N+](C)(C)[O-])c2c1 77313237 GRHYJEBKFWDYFD-UHFFFAOYSA-N 311.407 1.334 5 40 DDBB in-vitro C[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 195750541 WGQIDENZQJCDIA-NWJSVONSSA-N 300.270 1.428 5 40 DDBB COc1cc(NS(=O)(=O)c2ccc(N)cc2)cc([N+](=O)[O-])c1 345475 MKFACWWVGVKSNC-UHFFFAOYSA-N 323.330 1.986 5 40 DDBB O=[N+]([O-])c1ccc(N[C@@H]2CCS(=O)(=O)C2)c2ncccc12 35186030 UBLGQQRSNJTZTK-SECBINFHSA-N 307.331 1.742 5 40 DDBB C[C@H]1CCCN([C@]2(O)C(=O)N(C)c3ccc([N+](=O)[O-])cc32)C1 104132385 QCRYIEAIXFKWNH-ZUZCIYMTSA-N 305.334 1.448 5 40 DDBB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 12899140 YYGXVXRGSVEBTF-SNVBAGLBSA-N 309.322 1.349 5 40 DDBB C[C@@H]1CCCN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])C1 5192736 OFURCKIWGVBPMF-SNVBAGLBSA-N 322.369 1.040 5 40 DDBB O=C(NCCc1cc(F)cc2c1OCOC2)[C@@H]1C[C@H]1[N+](=O)[O-] 52901896 NURKREYWLBYVGS-VXGBXAGGSA-N 310.281 1.016 5 40 DDBB CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1 47249826 MCRXUZBZRJSKCR-RYUDHWBXSA-N 305.334 1.819 5 40 DDBB CS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cn1 47223768 IARLVCLOURYOPZ-UHFFFAOYSA-N 321.314 1.646 5 40 DDBB CS(=O)(=O)c1ccc([N+](=O)[O-])c(NCCCC(=O)O)c1 4372125 XFXSYGNHDVPFPF-UHFFFAOYSA-N 302.308 1.275 5 40 DDBB O=C(NCc1csc(=O)[nH]1)c1ccc([N+](=O)[O-])c(Cl)c1 97162540 GHLMZBRPAHBUOM-UHFFFAOYSA-N 313.722 1.928 5 40 DDBB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2ccccc2Cl)CC1 47271808 CTFQIHNNPMCQJZ-ZWNOBZJWSA-N 309.753 1.654 5 40 DDBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ncccn1 3244952 SKMFCHOQGGBKJR-UHFFFAOYSA-N 302.246 1.180 5 40 DDBB C[C@H]1CC(=O)NCCN1c1ccc([N+](=O)[O-])c2cnccc12 71889427 CPKHVHKQMKTAAW-JTQLQIEISA-N 300.318 1.858 5 40 DDBB CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccccc1[N+](=O)[O-] 26347071 INQWIBUHBJTPON-SNVBAGLBSA-N 308.338 1.261 5 40 DDBB COc1cc(NC(=O)CSc2nc[nH]n2)ccc1[N+](=O)[O-] 408559497 ZYYFOGAHAPZIAA-UHFFFAOYSA-N 309.307 1.452 5 40 DDBB Cc1cc(Cl)c(S(=O)(=O)NCCCN)cc1[N+](=O)[O-] 195544498 SKZXMQNSXQAVTB-UHFFFAOYSA-N 307.759 1.184 5 40 DDBB C[N@+]12CCCC[C@H]1[C@H](COC(=O)CN1CCOCC1)CCC2 585162690 CCFPFHWXYMZYJJ-TXPKVOOTSA-N 311.446 1.271 5 40 DDBB C[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 100063264 FRGLHYCBNUERGJ-MPTQWLOMSA-N 314.297 1.818 5 40 DDBB O=[N+]([O-])c1cccc(C2=CSC3=NS(=O)(=O)CCN23)c1 103281328 YDUBBYGVFJLTEK-UHFFFAOYSA-N 311.344 1.641 5 40 DDBB COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)cc([N+](=O)[O-])c1OC 70070 PKVVJOTVEOPTFQ-RDDDGLTNSA-N 314.319 1.400 5 40 DDBB CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)S1 201265 USGPCMVTZSCZLY-LLVKDONJSA-N 308.319 1.596 5 40 DDBB Cc1nn(C)c(N(C)C[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] 47331249 LIFLFLMJJVMPED-LLVKDONJSA-N 318.333 1.913 5 40 DDBB COc1ccccc1NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 5557621 DKTQTGKVALNZRF-UHFFFAOYSA-N 323.330 1.986 5 40 DDBB CC(C)(C)OC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 7005827 UGZNSEMMJYCLSE-UHFFFAOYSA-N 305.290 1.646 5 40 DDBB NC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(Cl)cc1 72294774 RKBYQCKZOOYLQB-LLVKDONJSA-N 322.708 1.533 5 40 DDBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c1 194642802 DLSYIDADDGNNPG-UHFFFAOYSA-N 319.302 1.667 5 40 DDBB COc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1N1CCCC1=O 58424355 LCWDAVJEVJXZMP-ZYHUDNBSSA-N 319.317 1.426 5 40 DDBB COc1cccc(CN2CCN(c3[nH]ncc3[N+](=O)[O-])CC2)c1 22239218 MKBJSBFRZKGQGE-UHFFFAOYSA-N 317.349 1.649 5 40 DDBB COc1cc(NC(=O)CNC[C@@H]2CCCO2)c(C)cc1[N+](=O)[O-] 6607886 FIKPTRKXHLZXEN-NSHDSACASA-N 323.349 1.619 5 40 DDBB COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2C2CC2)c1 91424434 OQWARUNQEDDZAQ-CQSZACIVSA-N 306.318 1.854 5 40 DDBB COC(=O)[C@@H]1C[C@@H](OC)CN1CCc1ccc([N+](=O)[O-])cc1 95959998 UBKOMJHZGMHGMB-KGLIPLIRSA-N 308.334 1.400 5 40 DDBB O=C(COc1ccc(C(=O)O)cc1[N+](=O)[O-])NCc1ccco1 13053757 KUVLRXWJHGRAPL-UHFFFAOYSA-N 320.257 1.581 5 40 DDBB CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCO1 29153629 NOXKESGXDHNORU-GFCCVEGCSA-N 307.350 1.912 5 40 DDBB Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)o1 15017285 HDVUNXGWFGJPCO-OAHLLOKOSA-N 316.269 1.909 5 40 DDBB CCc1cc(C(=O)N2CCN(C)CC2)c(OC)c([N+](=O)[O-])c1 72206675 CQAYMLXBTGXRJN-UHFFFAOYSA-N 307.350 1.553 5 40 DDBB O=C(NCc1ccc[nH]1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 97237992 ZVXZFXVLKCHZBO-AWEZNQCLSA-N 314.301 1.732 5 40 DDBB COCCN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 69517124 LMEOQUYMFYMBON-CYBMUJFWSA-N 321.377 1.601 5 40 DDBB Cc1csc(NC(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)n1 89591476 GOSULMLUXLVTPG-UHFFFAOYSA-N 308.319 1.469 5 40 DDBB CC(C)(C)OC(=O)N1CCN(c2ncnc(N)c2[N+](=O)[O-])CC1 61957991 LNXNCBYJFQILQY-UHFFFAOYSA-N 324.341 1.024 5 40 DDBB CNc1ccc(CN2CCCC3(C2)OCCO3)cc1[N+](=O)[O-] 97236900 UACLOJLPIFKFIY-UHFFFAOYSA-N 307.350 1.975 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]2CCCC[C@H]21 7020425 NCIBQSZCPOFXLS-TZMCWYRMSA-N 319.361 1.938 5 40 DDBB O=C(CCCn1ccnc1)NCCNc1ccccc1[N+](=O)[O-] 69967849 BDBZEUAVJJXTID-UHFFFAOYSA-N 317.349 1.800 5 40 DDBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nccs1 409204981 DXVQSXUFWMLTKO-UHFFFAOYSA-N 307.287 1.847 5 40 DDBB Cn1nccc1CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 195576826 WFVVFAZHHFHKEB-UHFFFAOYSA-N 324.362 1.386 5 40 DDBB NC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 90090584 ILVRPNZDCXUASI-GFCCVEGCSA-N 312.329 1.968 5 40 DDBB CCN1CCO[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 78966437 SCHKRKRYJPTSJJ-AWEZNQCLSA-N 305.334 1.205 5 40 DDBB O=[N+]([O-])c1c(F)cccc1N1CCN(c2cnccn2)CC1 57137220 RJUKKMQJGOUAFH-UHFFFAOYSA-N 303.297 1.851 5 40 DDBB CCCNC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57891884 LOTZAJOPRLYHRO-CYBMUJFWSA-N 320.393 1.632 5 40 DDBB COCCCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1 2965636 APRUGSSLGNZMAT-UHFFFAOYSA-N 311.341 1.614 5 40 DDBB C[C@@H]1CN(C(=O)CN2CCc3cc([N+](=O)[O-])ccc32)CCO1 25612035 KKKJZEOLUSOJOA-LLVKDONJSA-N 305.334 1.205 5 40 DDBB NC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 97146894 VYDRXEDZSZRUJP-LLVKDONJSA-N 307.237 1.283 5 40 DDBB Cc1c(C(=O)OCC(=O)N2CCCC2=O)cccc1[N+](=O)[O-] 3444307 DTIRXFGOASXRDO-UHFFFAOYSA-N 306.274 1.209 5 40 DDBB Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccnn2C)c1C 89626623 XVGRQHARTNYROM-UHFFFAOYSA-N 324.362 1.424 5 40 DDBB C[C@@H](NC[C@@](C)(O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 95968511 IBHQSIZREZGRMY-CZUORRHYSA-N 323.393 1.329 5 40 DDBB Cn1nc([N+](=O)[O-])nc1N1CCN(c2ccc(F)cc2)CC1 5516085 CBEIWCMKEULQDG-UHFFFAOYSA-N 306.301 1.189 5 40 DDBB Cn1cnc2c1CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 5530528 LIEAUOSIFVCSPI-HNNXBMFYSA-N 302.334 1.420 5 40 DDBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnc2n(c1=O)CCS2 4089018 QFFKHUZVPGQHHN-UHFFFAOYSA-N 318.314 1.510 5 40 DDBB COc1ccc(C2=CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 53772718 GFSKTBRKEWFLHZ-HUUCEWRRSA-N 302.330 1.976 5 40 DDBB CC[C@@H](CO)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104129992 HFLYXPYAUFJJJI-LURJTMIESA-N 300.227 1.594 5 40 DDBB CCC[N+](C)(C)CCCOC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 104184271 BXSSFQJPTIHPHH-AHDPXTMNSA-N 310.414 1.604 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1 3896146 YLCGOIWLQUQPLK-UHFFFAOYSA-N 311.250 1.126 5 40 DDBB COC[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl 6085131 DLMBGCHPEZNORE-QMMMGPOBSA-N 302.714 1.778 5 40 DDBB COc1ccc([N+](=O)[O-])cc1OCc1nc(N)nc(N(C)C)n1 9313746 OVTHPRLUOXPODP-UHFFFAOYSA-N 320.309 1.016 5 40 DDBB COC(=O)CN(C)c1ncc(Br)cc1[N+](=O)[O-] 50069725 QAPMMLZKHDCXJP-UHFFFAOYSA-N 304.100 1.362 5 40 DDBB Cc1nn(C)c(N[C@H]2CCCN(c3cnn(C)c3)C2)c1[N+](=O)[O-] 78368502 MVRIJZDHADNCFT-NSHDSACASA-N 319.369 1.451 5 40 DDBB C[C@H]1CN(CCNC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1 26225210 HWIIYHZVMLUTLH-RYUDHWBXSA-N 322.365 1.826 5 40 DDBB O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCNc1ncccn1 57061934 HTYZHLPYTIAKQR-VOTSOKGWSA-N 313.317 1.626 5 40 DDBB CCCNC(=O)CN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 29622421 VCUIXEDMNGZPSX-UHFFFAOYSA-N 321.381 1.392 5 40 DDBB O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 408728434 MGSUPBAXDDKNCB-WYUUTHIRSA-N 320.688 1.691 5 40 DDBB Cn1ccnc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 75498953 CCNAESGZNJYWLP-SNVBAGLBSA-N 316.321 1.050 5 40 DDBB Cc1c(CC(=O)N2[C@H](C)CN(C)C[C@H]2C)cccc1[N+](=O)[O-] 155176340 NNIXREODFAJZMK-VXGBXAGGSA-N 305.378 1.997 5 40 DDBB NC(=O)[C@@H]1C[C@@H](O)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 33010936 IDTPKXCYXFDUOD-XCBNKYQSSA-N 319.239 1.039 5 40 DDBB C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@H]2CC[C@H]1C2 104615425 ZONYYYGPRLBDKH-OWTLIXCDSA-N 319.361 1.697 5 40 DDBB CS(=O)(=O)Nc1cccc(CNc2ncccc2[N+](=O)[O-])c1 25580222 OQDQOCRJPHIOSI-UHFFFAOYSA-N 322.346 1.973 5 40 DDBB C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 63193852 XMLLJYVDYSZIRC-GWCFXTLKSA-N 313.379 1.485 5 40 DDBB Cc1cc(N2CCN(c3cccnn3)CC2)ncc1[N+](=O)[O-] 74745931 JFEKCKZXHXQIRG-UHFFFAOYSA-N 300.322 1.415 5 40 DDBB CS(=O)(=O)CCSCC(=O)Nc1ccccc1[N+](=O)[O-] 78614943 IDYOLKLVXUXUSO-UHFFFAOYSA-N 318.376 1.311 5 40 DDBB C[C@@H](Sc1nnc(Cc2ccc([N+](=O)[O-])cc2)o1)C(N)=O 4890823 XGRIGLRJYVRMRR-SSDOTTSWSA-N 308.319 1.535 5 40 DDBB COc1ccc(C(=O)N[C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] 47931504 FESKEMGXOZAFPA-JTQLQIEISA-N 304.306 1.618 5 40 DDBB Cc1csc2nc(COc3cccnc3[N+](=O)[O-])cc(=O)n12 8190504 NCYKRYUAKNGLJS-UHFFFAOYSA-N 318.314 1.947 5 40 DDBB Cc1ccc(OCc2cc(=O)n3ccccc3n2)c([N+](=O)[O-])n1 18034865 GOOWDPBRPXDNAU-UHFFFAOYSA-N 312.285 1.885 5 40 DDBB CCC[C@@H](N)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 95972670 LZVQDMUDVRBFBK-MRVPVSSYSA-N 321.786 1.654 5 40 DDBB CCOC(=O)CN1CCO[C@@H](COc2ccccc2[N+](=O)[O-])C1 217499841 NHXXXOGOPSXPGJ-GFCCVEGCSA-N 324.333 1.238 5 40 DDBB Cc1cc(C(=O)NCc2nc(N(C)C)no2)cc([N+](=O)[O-])c1 193882612 MTPQOZSBZUIMCA-UHFFFAOYSA-N 305.294 1.282 5 40 DDBB O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1c2ccccc2C[C@H]1O 78997041 UHKCRJDMLZAOMZ-NVXWUHKLSA-N 312.325 1.912 5 40 DDBB CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCO1 29153635 NOXKESGXDHNORU-LBPRGKRZSA-N 307.350 1.912 5 40 DDBB Cc1cc(C(=O)N2CCN(c3sccc3[N+](=O)[O-])CC2)on1 95986621 UDTMHMUULHPCIC-UHFFFAOYSA-N 322.346 1.915 5 40 DDBB Cc1nc(C)c(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c(=O)[nH]1 19937506 NDQZEOUVRPPPKF-UHFFFAOYSA-N 316.317 1.785 5 40 DDBB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])o1 10256004 QVWOEGYJKCMSIJ-LLVKDONJSA-N 315.285 1.505 5 40 DDBB O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1C[C@@H]1[N+](=O)[O-] 52901894 NURKREYWLBYVGS-RYUDHWBXSA-N 310.281 1.016 5 40 DDBB Cc1[nH]nc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1[N+](=O)[O-] 78996941 OPSOYTLJWVFTQK-GHMZBOCLSA-N 302.290 1.014 5 40 DDBB COc1ccc([N+](=O)[O-])cc1N(CCC(=O)O)CCC(=O)O 3151620 PHDUVBHYIAHNKJ-UHFFFAOYSA-N 312.278 1.359 5 40 DDBB CS(=O)(=O)N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 58147549 VRONZJKZUFFERI-SECBINFHSA-N 317.342 1.570 5 40 DDBB NCc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 63191051 BAEOFUHZGUELLQ-UHFFFAOYSA-N 307.331 1.854 5 40 DDBB O=C(NCCNc1cccc(F)c1[N+](=O)[O-])c1cccnc1 72027423 XYGALNWGJWUSAV-UHFFFAOYSA-N 304.281 1.971 5 40 DDBB O=C(CCn1cccn1)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 89421242 QXJXROFAPWMOQB-UHFFFAOYSA-N 300.278 1.696 5 40 DDBB O=[N+]([O-])c1ccc(NNC(=S)NCc2ccccc2)nc1 408586163 MFKVYFSCGQEISQ-UHFFFAOYSA-N 303.347 1.981 5 40 DDBB O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCCCO2)cc1 390833454 HRXBYRSYQYIKQM-UHFFFAOYSA-N 300.336 1.842 5 40 DDBB O=c1nc(-c2ccc([N+](=O)[O-])cc2)oc2cc(O)oc(=O)c12 6225915 KVJCSBLAEFAGFX-UHFFFAOYSA-N 302.198 1.422 5 40 DDBB Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 6787435 NBDDIGZRLILDLR-USWWRNFRSA-N 310.354 1.420 5 40 DDBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCOCC1 1728503 SALGOSCXLWSFRR-UHFFFAOYSA-N 300.698 1.486 5 40 DDBB C[C@@H]1CN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 26781529 SUTKLJLHGLPXCR-YRGRVCCFSA-N 310.350 1.444 5 40 DDBB O=C(NCc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 9570645 AVWGFJVKVBKWLB-UHFFFAOYSA-N 324.300 1.501 5 40 DDBB O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCN1CCCC1=O 15940945 UIDBMZAEKKZJNY-CMDGGOBGSA-N 317.345 1.737 5 40 DDBB CN1C[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1=O 96416504 BXRCHIZRMMYXBL-CYBMUJFWSA-N 319.361 1.512 5 40 DDBB COc1cc(NC(=O)CSc2ncn[nH]2)c(C)cc1[N+](=O)[O-] 4948045 VVTIMBAYSNDBHR-UHFFFAOYSA-N 323.334 1.761 5 40 DDBB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1[N+](=O)[O-] 4504723 UZBHGHKGPQCBNV-MRVPVSSYSA-N 318.738 1.165 5 40 DDBB NS(=O)(=O)CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl 97163548 WNJGVTZMKBVNIE-UHFFFAOYSA-N 314.150 1.602 5 40 DDBB CNC(=O)c1ccc(N[C@H](C)c2nnc(C)o2)c([N+](=O)[O-])c1 79106237 WLNIXVQRBAABLT-SSDOTTSWSA-N 305.294 1.819 5 40 DDBB O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2cncn2)c([N+](=O)[O-])c1 95351525 UOBLZRBDPWWLEL-NSHDSACASA-N 318.293 1.764 5 40 DDBB O=C1CNC(=S)N1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2357534 KVKBKRYSCAQQKS-UHFFFAOYSA-N 320.355 1.939 5 40 DDBB COc1cc(CN2CCC[C@H]([C@H](C)N)C2)cc([N+](=O)[O-])c1O 97162650 QBSXFIDYHQASER-JQWIXIFHSA-N 309.366 1.868 5 40 DDBB O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccc(Cl)cc1 76092683 JXUCGZAJCHSQNT-UHFFFAOYSA-N 321.720 1.726 5 40 DDBB COC(=O)c1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc([N+](=O)[O-])c1 27914453 VTKYCZHXWOLSGY-TVQRCGJNSA-N 322.317 1.679 5 40 DDBB NC(=O)COc1c(Cl)cc([N+](=O)[O-])cc1Br 226241212 YWGNVMJXBCTUDG-UHFFFAOYSA-N 309.503 1.875 5 40 DDBB O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 106869752 FYGOPLWBHSLLPV-GIPNMCIBSA-N 311.288 1.325 5 40 DDBB O=C1CCCC(=O)N1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 72301744 QMNJWVVCPCCEIL-UHFFFAOYSA-N 322.277 1.454 5 40 DDBB CN(C)C(=O)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 97032624 YQOCUKHPRWTUDP-FNORWQNLSA-N 318.377 1.907 5 40 DDBB COC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)O)CC1 216931864 FJVVPHLTWGAZCP-UHFFFAOYSA-N 308.290 1.682 5 40 DDBB Nn1cnnc1Sc1c(Cl)cc(C(=O)O)cc1[N+](=O)[O-] 70462480 DUFPFTGRPCRNST-UHFFFAOYSA-N 315.698 1.403 5 40 DDBB COC[C@@H]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 96431055 RCMOQTAJEQMOKF-CYBMUJFWSA-N 321.377 1.916 5 40 DDBB CCn1c(C)nc([N+](=O)[O-])c1Sc1nc(N)nc2nc[nH]c12 1675222 ZEFQYYBXNUKUPC-UHFFFAOYSA-N 320.338 1.519 5 40 DDBB O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C2OCCO2)C1 71185674 NULKNRLGQZZNSH-LLVKDONJSA-N 306.318 1.820 5 40 DDBB CN1CCC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 95367648 WDBMCFQJCUMNKJ-ZDUSSCGKSA-N 318.377 1.993 5 40 DDBB NS(=O)(=O)c1ccccc1OCc1csc([N+](=O)[O-])c1 89814528 AYXWJVGZAWTADO-UHFFFAOYSA-N 314.344 1.883 5 40 DDBB Cc1cc(N2CCN(C(=O)[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] 80585011 JARVACAOHVHPEE-CYBMUJFWSA-N 320.349 1.126 5 40 DDBB O=[N+]([O-])c1ccc(N2CCCS(=O)(=O)CC2)c2ccncc12 96413739 OYAFJYGMAWPZQE-UHFFFAOYSA-N 321.358 1.768 5 40 DDBB C[C@H]1C[C@H]1COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 58308923 APSRSNWYZIMRSK-ONGXEEELSA-N 302.290 1.988 5 40 DDBB C[C@H]1Cc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 6120145 MGSIJSNXUYDVFF-NSHDSACASA-N 313.313 1.734 5 40 DDBB C[C@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 100063262 FRGLHYCBNUERGJ-CZPYZCIJSA-N 314.297 1.818 5 40 DDBB O=C(C1CCCC1)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 78972589 JUBUUOJTQGHGOG-UHFFFAOYSA-N 321.381 1.126 5 40 DDBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 46169965 QGHBHBJAMXSCLK-CMPLNLGQSA-N 305.334 1.593 5 40 DDBB O=c1[nH]c(/C=C/c2ccc(O)c(Cl)c2)nc(O)c1[N+](=O)[O-] 9234792 YYXAHYHYXQLSIZ-DUXPYHPUSA-N 309.665 1.913 5 40 DDBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(OC)n2)c1 4140247 JRXNZDMTVGJDFQ-UHFFFAOYSA-N 321.293 1.736 5 40 DDBB C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NC1CC1 32724208 BZASCVIFQVTWRO-ZETCQYMHSA-N 322.273 1.147 5 40 DDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 44467869 KQRFWZPZEDRKNB-RISCZKNCSA-N 314.345 1.934 5 40 DDBB CC[C@](C)(O)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 58167990 SZVYUCJVCKTJOG-LBPRGKRZSA-N 302.352 1.571 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCc1ccccc1 6120293 HMFAAGIPHQPUQL-UHFFFAOYSA-N 301.302 1.115 5 40 DDBB O=C(NC1CCN(CC2CCCCC2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 68280761 FWVAXAZVIMLHEN-CABCVRRESA-N 309.410 1.813 5 40 DDBB CCNS(=O)(=O)[C@H]1CCN(c2cc(F)ccc2[N+](=O)[O-])C1 252492617 MQOBBALIDXRKJY-JTQLQIEISA-N 317.342 1.252 5 40 DDBB Cc1nc([N+](=O)[O-])c(SCC(N)=O)n1Cc1ccccc1 346715 LCKFZDKHJUUFKH-UHFFFAOYSA-N 306.347 1.725 5 40 DDBB O=c1[nH]cnc2cc(NCCN3CCCC3)c([N+](=O)[O-])cc12 32837541 GEHSGXQXVJOGGO-UHFFFAOYSA-N 303.322 1.339 5 40 DDBB O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1COc2ccccc2C1 48270413 JELDZCZLJGCPJA-NSHDSACASA-N 316.317 1.159 5 40 DDBB CN1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 14193564 NXENYOIDUIXQDW-UHFFFAOYSA-N 312.757 1.434 5 40 DDBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)NC1CCCC1 6533642 RNFRJIJGBGQMTO-VIFPVBQESA-N 321.333 1.781 5 40 DDBB CCOCCCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 9578482 MMNPVMDSOJEBIK-UHFFFAOYSA-N 318.351 1.308 5 40 DDBB Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)no1 7735408 PLGJIGSPUUHPBY-UHFFFAOYSA-N 319.273 1.995 5 40 DDBB O=[N+]([O-])c1cccc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)c1 409346548 KLAXVGLTGVEIKB-PLNGDYQASA-N 304.218 1.875 5 40 DDBB CC(C)Oc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1 6307166 GDNOZCUEYIBEHY-VMPITWQZSA-N 317.301 1.929 5 40 DDBB CCCOc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1 6324245 WRVBFPHHRFAXCI-VMPITWQZSA-N 317.301 1.931 5 40 DDBB Cc1cc(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc(=O)[nH]1 4314776 FQZNDVPQRUVEER-UHFFFAOYSA-N 320.330 1.717 5 40 DDBB CC[C@H]1CN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CCO1 30856721 DWTDZBOBOOKXQO-ZDUSSCGKSA-N 322.317 1.632 5 40 DDBB NC(=O)c1c(N)c(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccccc12 22760141 YNRINGIYDYUOQN-UHFFFAOYSA-N 324.296 1.760 5 40 DDBB CC(C)c1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)no1 89893357 CSFSXRUNJJZNIH-UHFFFAOYSA-N 308.298 1.724 5 40 DDBB CCCn1nnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 5643782 KZKDOUBENZFWHY-VOTSOKGWSA-N 302.294 1.643 5 40 DDBB O=C(NC[C@H](O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 307782 BIWYCZGPSKTUKV-AWEZNQCLSA-N 316.313 1.765 5 40 DDBB Cc1c(C(=O)NCCCNc2ncccn2)cccc1[N+](=O)[O-] 42757605 MGMZMYQZGMIOEE-UHFFFAOYSA-N 315.333 1.925 5 40 DDBB CCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 84742995 DYULYTNPXCNIOC-UKRRQHHQSA-N 310.350 1.686 5 40 DDBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2C)[C@H](C(=O)O)C1 71979411 DRQVQVOJUKZOEI-LBPRGKRZSA-N 321.289 1.486 5 40 DDBB CNCCNc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 199799412 OHNLNEFRZPHFHD-UHFFFAOYSA-N 323.744 1.808 5 40 DDBB CNC(=O)[C@H]1CCC[C@H]1Nc1c(C(N)=O)cccc1[N+](=O)[O-] 420611403 NHVOPAVHKTXLDT-WCBMZHEXSA-N 306.322 1.020 5 40 DDBB CC(C)CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N 97114265 BBHFTWPBBIMRIZ-NSHDSACASA-N 321.381 1.422 5 40 DDBB Cc1cc(OC(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(=O)[nH]1 4248353 JCBUZAKLUUXWRI-UHFFFAOYSA-N 318.241 1.539 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])c1)c1c[nH]c(C(=O)N2CCCC2)c1 25451925 RROLZRTYASECLN-UHFFFAOYSA-N 317.305 1.238 5 40 DDBB O=C(Nc1cccc(CN2CCSCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] 84374369 NRJWMKJXYJEZJA-ZIAGYGMSSA-N 321.402 1.839 5 40 DDBB COC(=O)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)n(C)n1 408553189 MNVVSNIUKIYOPC-UHFFFAOYSA-N 305.246 1.334 5 40 DDBB CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccccc1[N+](=O)[O-] 189037489 HSSJUAMUDWBKIB-ZDUSSCGKSA-N 305.334 1.582 5 40 DDBB C[N@+]12CCCC[C@@H]1[C@H](COCC(=O)N1CCOCC1)CCC2 585162683 BWUWEVLAZIDXFV-FRQCXROJSA-N 311.446 1.271 5 40 DDBB O=c1[nH]c(/C=C/c2ccccc2[N+](=O)[O-])nc(O)c1[N+](=O)[O-] 16448953 GVXGTVCMYBXCAX-AATRIKPKSA-N 304.218 1.462 5 40 DDBB CN1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 151384503 FTMAXRRTYJUGAK-UHFFFAOYSA-N 313.379 1.108 5 40 DDBB COc1ccc(CN[C@H]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] 97375115 UHESIUPEKFJDTD-RYUDHWBXSA-N 307.350 1.737 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCO1 10327921 SLWCRQJTEBPMBS-NSHDSACASA-N 307.306 1.137 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 100522349 BVLNLBMVGURYKE-CYDGBPFRSA-N 300.270 1.346 5 40 DDBB Cc1c([N+](=O)[O-])cnn1CC(=O)Nc1ccc(C(=O)O)cc1 2732868 KWLMAKMZMSVYCY-UHFFFAOYSA-N 304.262 1.437 5 40 DDBB CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 68238645 VIMKVVQSDCDXAG-UHFFFAOYSA-N 320.349 1.391 5 40 DDBB COCCN1CCC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 69531546 AWWCXSDCBSFACO-LBPRGKRZSA-N 322.365 1.018 5 40 DDBB COc1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OC 33936251 PKSLOHMKDSSQHQ-HYXAFXHYSA-N 319.273 1.571 5 40 DDBB O=C(NC[C@H]1CCCO1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 72329427 XWBQRAAPGADVOE-GFCCVEGCSA-N 316.317 1.894 5 40 DDBB O=C(Nc1ccccc1CN1CCSCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 65494997 BBYFDUVVQYOHIN-TZMCWYRMSA-N 321.402 1.839 5 40 DDBB COc1ccccc1N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 8424694 GASGHNDPCVGSHR-UHFFFAOYSA-N 317.349 1.664 5 40 DDBB Nc1cccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 95481780 FKJIXLNCFLZCLN-UHFFFAOYSA-N 318.314 1.738 5 40 DDBB O=C(CSc1nccc(=O)[nH]1)Nc1cc([N+](=O)[O-])ccc1F 12311896 JENPJIVOXIUCQX-UHFFFAOYSA-N 324.293 1.548 5 40 DDBB O=C(NCc1ccco1)[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] 72281899 NVDCJZWBTFQEAZ-ZDUSSCGKSA-N 316.317 1.868 5 40 DDBB O=c1n(CCOc2ccc([N+](=O)[O-])cc2F)nc2ccccn12 46877780 DUJHBMWWAUGWTF-UHFFFAOYSA-N 318.264 1.622 5 40 DDBB C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)OCO2 95984381 MAXOKTYICDKUOG-SNVBAGLBSA-N 304.306 1.871 5 40 DDBB O=C([C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 20649566 RAXHUFOYCGQUQD-GFCCVEGCSA-N 320.349 1.065 5 40 DDBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccco1 9607554 AXECRAPCNSXLDA-JTQLQIEISA-N 317.301 1.623 5 40 DDBB NC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 90090583 ILVRPNZDCXUASI-LBPRGKRZSA-N 312.329 1.968 5 40 DDBB CN(C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)N1CCOCC1 97032549 WQRARKUJSUIFDP-GQCTYLIASA-N 319.361 1.399 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](NS(C)(=O)=O)C1 131396083 WGFQOYIHDPQACK-LLVKDONJSA-N 313.379 1.421 5 40 DDBB O=c1oc2cc([N+](=O)[O-])ccc2n1CCOC[C@H]1CCCO1 96430155 GKGCYJZMNDIYQV-LLVKDONJSA-N 308.290 1.698 5 40 DDBB CCCCOC(=O)CNC(=O)c1ccc(C)c(O)c1[N+](=O)[O-] 1712152 XQEITWNCPWQIJW-UHFFFAOYSA-N 310.306 1.682 5 40 DDBB CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(C)=O 12137710 BMQWHLVQDSMGTJ-UVTDQMKNSA-N 305.334 1.940 5 40 DDBB O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCSCC1 65493585 ODTWQMCBOVUGBH-UHFFFAOYSA-N 310.331 1.555 5 40 DDBB Cc1nn(CC(=O)NC(=O)NC2CCCC2)c(C)c1[N+](=O)[O-] 6510865 QJBGOQUDUUZNCF-UHFFFAOYSA-N 309.326 1.177 5 40 DDBB CS(=O)(=O)N(CCn1cnc([N+](=O)[O-])c1)Cc1ccccc1 187853426 XWWPNRYYTZLXGU-UHFFFAOYSA-N 324.362 1.253 5 40 DDBB NC(=O)[C@@H]1C(=O)c2ccccc2[C@]1(C[N+](=O)[O-])c1ccccc1 1690848 WLXQWHPNVGRJGU-YOEHRIQHSA-N 310.309 1.547 5 40 DDBB COc1cc([N+](=O)[O-])ccc1Nc1ncnc(N)c1[N+](=O)[O-] 3912596 BMULDUFXVMSABZ-UHFFFAOYSA-N 306.238 1.627 5 40 DDBB Cc1cc(C(=O)NCC(=O)N[C@@H]2C=CCCC2)ccc1[N+](=O)[O-] 97083235 QTATXLPLBGFOLT-CYBMUJFWSA-N 317.345 1.858 5 40 DDBB Cc1cc(C(=O)NCc2nncn2C2CC2)ccc1[N+](=O)[O-] 78603839 MAOHIQHCWVLEID-UHFFFAOYSA-N 301.306 1.760 5 40 DDBB O=C(NCc1ccco1)[C@H]1CCCN1c1ccncc1[N+](=O)[O-] 79052435 JJRLYTFYEWMTNV-CYBMUJFWSA-N 316.317 1.868 5 40 DDBB O=[N+]([O-])c1ccc2nc(S)n([C@H]3CCS(=O)(=O)C3)c2c1 40166759 BXGDDYAJXVUFBI-QMMMGPOBSA-N 313.360 1.593 5 40 DDBB Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2ncon2)c1 281461755 FVZTXYHSSUWYFL-SNVBAGLBSA-N 320.305 1.933 5 40 DDBB Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 5007997 ZCCKFSOVVIXFRP-UHFFFAOYSA-N 307.335 1.763 5 40 DDBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nccn1C(F)F 32853943 OJGQGRYKWMNJCM-UHFFFAOYSA-N 322.227 1.983 5 40 DDBB CCN(CC)S(=O)(=O)NC(=O)c1ccc([N+](=O)[O-])cc1F 72280758 XTQKERACHVTYJV-UHFFFAOYSA-N 319.314 1.050 5 40 DDBB Cc1ccc(NC(=O)C(=O)NCc2ccccn2)c([N+](=O)[O-])c1 10327482 CLCWZTKGWXDWNM-UHFFFAOYSA-N 314.301 1.553 5 40 DDBB CCOCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 16093659 BEPIGMGEBWLDRK-UHFFFAOYSA-N 302.352 1.608 5 40 DDBB O=C(Nc1cc(=O)[nH]c(O)n1)c1cc([N+](=O)[O-])ccc1Cl 2711338 NLYCFOSXJGHPLP-UHFFFAOYSA-N 310.653 1.289 5 40 DDBB O=C(C[C@@H]1OC[C@@H]2CCCN2C1=O)Nc1ccc([N+](=O)[O-])cc1 4164156 OIRIGZAYACCDCH-STQMWFEESA-N 319.317 1.313 5 40 DDBB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 6975193 POMPNCLLEDDFHV-UHFFFAOYSA-N 310.335 1.746 5 40 DDBB Cc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] 3486978 DJPDVCFAFNXIBJ-UHFFFAOYSA-N 320.349 1.039 5 40 DDBB Cc1cc(C(=O)N2CCCN3CCC[C@@H]3C2)c(N)c([N+](=O)[O-])c1 69586912 VILRUVQSRTUDEX-GFCCVEGCSA-N 318.377 1.796 5 40 DDBB NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 69737887 QTILDPAGFIBQRG-DUMNWFOQSA-N 321.308 1.471 5 40 DDBB Cn1cc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)cn1 195567449 XPCLDYPRNLNQIU-SNVBAGLBSA-N 316.317 1.664 5 40 DDBB CCO[C@@H]1C[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C 96418945 VDOHUZIDYKLHJE-QWHCGFSZSA-N 324.381 1.843 5 40 DDBB CCCc1[nH]nc(C(=O)NC[C@@H]2CCN(CCC)C2)c1[N+](=O)[O-] 96414343 ZDWMAVJZYDHLPT-NSHDSACASA-N 323.397 1.732 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2ncnn21 9088126 KUPCGHZZJYLIKM-SNVBAGLBSA-N 316.277 1.017 5 40 DDBB CCO[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C 96419330 ARFVLWKFXNYFHO-ZJUUUORDSA-N 310.354 1.902 5 40 DDBB O=C(NC1CC1)[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] 54988828 YQJVRMJXSFFMPO-CQSZACIVSA-N 319.361 1.717 5 40 DDBB O=C(NC[C@H]1COCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 54616771 VFLLYPVWYJMGIH-LBPRGKRZSA-N 321.333 1.314 5 40 DDBB C[C@@H]1CCc2ccccc2N1C(=O)Cn1cnc([N+](=O)[O-])n1 48356096 HNKHDWDSNKBWKM-SNVBAGLBSA-N 301.306 1.554 5 40 DDBB COC(=O)[C@](C)(O)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 95944580 YZIPQGLRBVWBFS-LLVKDONJSA-N 322.239 1.950 5 40 DDBB CC(C)[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCS1 96432282 WYBRHKFAHATXDT-LBPRGKRZSA-N 312.395 1.781 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Cl)cc2)[n+]([O-])c1 2163160 CWTLKYCMNTVRJN-UHFFFAOYSA-N 314.706 1.714 5 40 DDBB Cc1cc([N+](=O)[O-])nn1CC(=O)N1CCc2ccccc2C1 275899 LLXWEERKNGYQMJ-UHFFFAOYSA-N 300.318 1.685 5 40 DDBB Cc1cnc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cn1 8145633 XYUDGNUHZRKETB-UHFFFAOYSA-N 301.306 1.535 5 40 DDBB O=[N+]([O-])c1ncn(C[C@@H](O)c2ccc(Br)cc2)n1 95974824 OHLSWRQRBDAIFN-SECBINFHSA-N 313.111 1.682 5 40 DDBB Cc1ccc(S(=O)(=O)NCc2ccncc2)c([N+](=O)[O-])c1 95981568 WKGHZALVUVMZIG-UHFFFAOYSA-N 307.331 1.777 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cnn(C)c1 75145708 UTTODXTVSMKUOZ-UHFFFAOYSA-N 310.335 1.462 5 40 DDBB Cc1ccc(N2CC[C@@H](Nc3c([N+](=O)[O-])ncn3C)C2=O)cc1 76063557 PBFQCZDPOTXJIS-GFCCVEGCSA-N 315.333 1.854 5 40 DDBB O=[N+]([O-])c1cccc(-n2nc([N+](=O)[O-])c3c(O)ncnc32)c1 4262825 BRUXJIJVHHITKE-UHFFFAOYSA-N 302.206 1.338 5 40 DDBB biogenic CCOC(=O)c1c(Cl)cc(S(C)(=O)=O)cc1[N+](=O)[O-] 44201083 NLMKPONJYCVFAA-UHFFFAOYSA-N 307.711 1.828 5 40 DDBB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 101356529 FRGLHYCBNUERGJ-CRJCFHLZSA-N 314.297 1.818 5 40 DDBB O=C(C[S@@](=O)Cc1cccc([N+](=O)[O-])c1)NCC(F)(F)F 32801288 JPAXMXCAJIVCGD-OAQYLSRUSA-N 324.280 1.522 5 40 DDBB CCOC(=O)c1c(C)nn2cc(-n3cc([N+](=O)[O-])cn3)cnc12 61363 HTHZPVVKHXCRMC-UHFFFAOYSA-N 316.277 1.308 5 40 DDBB CN(C)C(=O)[C@@H]1CCCN1c1nc2sccn2c1[N+](=O)[O-] 28623870 ONLSGBGHVIKUJR-QMMMGPOBSA-N 309.351 1.361 5 40 DDBB COCCNC(=O)c1c2nc3ccccc3nc2n2[nH]c(C)nc12 5554418 MBCUNNXDGNKQAO-UHFFFAOYSA-N 324.344 1.443 5 40 DDBB O=C(Cc1ccc(Oc2ncccc2[N+](=O)[O-])cc1)NCCO 69595711 KGLUHMWMBWJDGF-UHFFFAOYSA-N 317.301 1.433 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCn2ncnc21 69560978 AVJKQFVSULAHDG-UHFFFAOYSA-N 323.334 1.094 5 40 DDBB O=C(NCc1noc(O)n1)Nc1ccc([N+](=O)[O-])cc1Cl 95467237 YUUBAPHJEOPTBS-UHFFFAOYSA-N 313.657 1.659 5 40 DDBB O=[N+]([O-])c1ncn(C[C@@H](O)COc2cccc3[nH]ccc23)n1 95438914 XRCOAYRBLLGKCI-SECBINFHSA-N 303.278 1.108 5 40 DDBB CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 3893547 ZNVSPVULONZAOG-SECBINFHSA-N 315.307 1.126 5 40 DDBB CCCN(CC(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 45813600 FCDBNWGFBJUOIX-UHFFFAOYSA-N 316.335 1.169 5 40 DDBB C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(S(C)(=O)=O)CC1 24509231 GGVADTMNHRDZLJ-NSHDSACASA-N 313.379 1.233 5 40 DDBB Nc1[nH]c(=O)c2cc([N+](=O)[O-])ccc2c1C(=O)N1CCCC1 12375208 HBGPDQUPRJPKSD-UHFFFAOYSA-N 302.290 1.255 5 40 DDBB Cc1cc(S(=O)(=O)N2CCOCC2)cc([N+](=O)[O-])c1C 4539655 RTFUYLBITFDBHW-UHFFFAOYSA-N 300.336 1.233 5 40 DDBB Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1CCCO1 7033681 RNOOLSDGRLBKFU-LLVKDONJSA-N 308.290 1.564 5 40 DDBB Cc1ccc(Cn2ccs/c2=N/C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1 40114808 XSTUVDAWWKNVCV-MMEFHMBZSA-N 317.370 1.999 5 40 DDBB Nc1ncc([N+](=O)[O-])cc1C(=O)N(CC1CC1)CC(F)(F)F 97376424 ILEVBQRQGGCMRU-UHFFFAOYSA-N 318.255 1.987 5 40 DDBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1 26564187 PAPBPGPIJNZWIL-SNVBAGLBSA-N 305.334 1.772 5 40 DDBB Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1[N+](=O)[O-] 2747144 KAJMFQBMOSRTLY-UHFFFAOYSA-N 300.318 1.997 5 40 DDBB O=C(O)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3886281 GGGMKFRZMMBWDB-UHFFFAOYSA-N 308.699 1.001 5 40 DDBB CCCCCC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 84742999 DYULYTNPXCNIOC-HIFRSBDPSA-N 310.350 1.686 5 40 DDBB COC[C@H](C)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 65577114 GDDKZAWQUZOUQW-LBPRGKRZSA-N 322.365 1.779 5 40 DDBB CCOC(=O)C[C@@H](C)CNc1ncc([N+](=O)[O-])c(NC2CC2)n1 95444772 HFPDZVLHEHUCGH-SECBINFHSA-N 323.353 1.960 5 40 DDBB CNS(=O)(=O)c1ccc(OCC(F)(F)F)c([N+](=O)[O-])c1 118525055 QEJXCILUWBHYNG-UHFFFAOYSA-N 314.241 1.444 5 40 DDBB Cc1cc(C(=O)NCCCN2CCOCC2)ccc1[N+](=O)[O-] 20352792 FGOCOSHXWLMKRT-UHFFFAOYSA-N 307.350 1.355 5 40 DDBB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 3496340 VKPQJNLIMXEZEX-LURJTMIESA-N 315.307 1.047 5 40 DDBB COc1cc(C(=O)O[C@@H]2CCOC2=O)c([N+](=O)[O-])cc1OC 3449708 DMAZIASIJDJDRZ-SECBINFHSA-N 311.246 1.084 5 40 DDBB CN(C)CCCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1 57477749 XSQWSKDHFFXTRU-UHFFFAOYSA-N 324.384 1.529 5 40 DDBB CCn1cc(CNC(=O)CCn2ncc([N+](=O)[O-])c2C)cn1 2793985 HAEVBNYUXVCUKG-UHFFFAOYSA-N 306.326 1.023 5 40 DDBB Cc1ccc(S(=O)(=O)NCCc2ccccn2)cc1[N+](=O)[O-] 9517118 QIETXSVDLLDANV-UHFFFAOYSA-N 321.358 1.819 5 40 DDBB Cc1ccoc1CN[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 75092325 LPQYQBYKSPSSJT-ZFWWWQNUSA-N 306.318 1.680 5 40 DDBB O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1O 78953346 AHCGMURYNYCVBL-TZMCWYRMSA-N 307.350 1.740 5 40 DDBB Cc1cnc(N2CCN(Cc3n[nH]c(C)n3)CC2)c([N+](=O)[O-])c1 96005706 SNOKSXFDWKXEBF-UHFFFAOYSA-N 317.353 1.047 5 40 DDBB Nc1nc(NC2CCCCC2)nc(N2CCOCC2)c1[N+](=O)[O-] 6238026 XFTIWDSVRXMBDC-UHFFFAOYSA-N 322.369 1.548 5 40 DDBB Cc1cc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)no1 69084562 BNRGVCWQYNHMTQ-UHFFFAOYSA-N 320.305 1.769 5 40 DDBB Cn1ccnc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 75498950 CCNAESGZNJYWLP-JTQLQIEISA-N 316.321 1.050 5 40 DDBB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C2 195566539 FHAMQPDBNLRAKP-JTQLQIEISA-N 315.333 1.427 5 40 DDBB C[C@@H]1CN=C(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)S1 84715286 FRGAUQGIEIHKEA-SNVBAGLBSA-N 307.379 1.603 5 40 DDBB COc1ccc(C2=CCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 53772721 GFSKTBRKEWFLHZ-LSDHHAIUSA-N 302.330 1.976 5 40 DDBB CCCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)NC1=S 103791272 IGUFQQSYVBYOES-RMKNXTFCSA-N 307.331 1.768 5 40 DDBB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 6925859 MFFLPLZYIUINHA-OZVVPTBGSA-N 302.286 1.836 5 40 DDBB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])o1 3343800 YIQGPFKNZDSHDT-UHFFFAOYSA-N 316.225 1.598 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1-n1ccc2c(cnc3ncnn32)c1=O 19960549 FYRQGHMYVVTKOV-UHFFFAOYSA-N 322.284 1.645 5 40 DDBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cnnn2)cc1 245077 XPFTUNNRVYWTAF-UHFFFAOYSA-N 310.273 1.823 5 40 DDBB O=[N+]([O-])c1ccc(Nc2ccc(N3CCOCC3)nc2)nc1 23616939 SIHPCFAMSHVZEF-UHFFFAOYSA-N 301.306 1.965 5 40 DDBB O=C(C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccco1 4525926 RXIYPJBVYFVEQR-AWEZNQCLSA-N 302.242 1.601 5 40 DDBB CCN(CC)CCOC(=O)c1c(C(=O)OC)cccc1[N+](=O)[O-] 1580713 SGAKAYUUIGGBIA-UHFFFAOYSA-N 324.333 1.880 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C)C2)n1 4306021 JITIQZLHWUPYKJ-NXEZZACHSA-N 324.385 1.508 5 40 DDBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC(=O)NC1 72062968 BJGDYHAWSOUAPP-NXEZZACHSA-N 323.374 1.470 5 40 DDBB Cn1cnc([N+](=O)[O-])c1S(=O)(=O)c1cccc(Cl)c1 480510 NWJGYGRBWMPRPV-UHFFFAOYSA-N 301.711 1.815 5 40 DDBB O=[N+]([O-])c1ccc(OC[C@@H](O)Cn2nnc3ccccc32)cc1 504350 GSDGOGPUQYPXJU-LBPRGKRZSA-N 314.301 1.779 5 40 DDBB Cn1c(SCCC(=O)O)nnc1-c1ccc([N+](=O)[O-])cc1 4966563 CJHLRAQZQMOLRF-UHFFFAOYSA-N 308.319 1.957 5 40 DDBB Nc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n[nH]1 6132355 MHWOUZHVTHWDPY-UHFFFAOYSA-N 309.307 1.454 5 40 DDBB O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC1CCOCC1 69077020 GTBFXNVGPDGOAO-UHFFFAOYSA-N 309.322 1.452 5 40 DDBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC(=O)N1 72283689 OZCLURFWYQNUFH-NXEZZACHSA-N 323.374 1.470 5 40 DDBB Cc1cc([N+](=O)[O-])cc2c1NC(=O)[C@]2(O)N1CCC[C@@H](C)C1 12473762 BQFKSLBLOMEADE-PSLIRLAXSA-N 305.334 1.732 5 40 DDBB COc1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 3233968 FFLAJCJLRSNKBV-UHFFFAOYSA-N 320.257 1.992 5 40 DDBB O=C(NCc1ccncc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10326805 ARRPGKKNFSTTCF-UHFFFAOYSA-N 318.264 1.384 5 40 DDBB Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2CCCO2)c(C)c1[N+](=O)[O-] 2780151 LWRXLGWXWRFNBB-CABZTGNLSA-N 310.354 1.482 5 40 DDBB COc1cc(C(=O)OCCNc2ncccn2)ccc1[N+](=O)[O-] 65531874 NCCDEBJRGHLMFP-UHFFFAOYSA-N 318.289 1.662 5 40 DDBB CN(C[C@@H](O)COCc1ccccc1)c1c([N+](=O)[O-])ncn1C 71900391 UGSXRAPKGPWUOB-CYBMUJFWSA-N 320.349 1.342 5 40 DDBB CN(CCn1cccn1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 95939963 VNVWNUYVZGJIRY-UHFFFAOYSA-N 324.362 1.253 5 40 DDBB Cc1ccc(NC(=O)NCCc2nc(N)no2)cc1[N+](=O)[O-] 75110185 PLXXKUCCGHEMET-UHFFFAOYSA-N 306.282 1.233 5 40 DDBB Cc1nc(CN2CCN(Cc3csc([N+](=O)[O-])c3)CC2)no1 79309158 KODZCZSYNWCLCI-UHFFFAOYSA-N 323.378 1.666 5 40 DDBB CN(C)C[C@H](O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 32809981 CZINKMIBIQRRFJ-SECBINFHSA-N 307.272 1.948 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 14238036 RGNRWBVSMWNZDX-UHFFFAOYSA-N 310.335 1.160 5 40 DDBB COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)c(O)co1 71914296 IWZDQLMFSXIACU-UHFFFAOYSA-N 321.241 1.619 5 40 DDBB CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)O[C@H](C)C2)n1 18102620 XGVDUGULJHGURI-AOOOYVTPSA-N 324.385 1.427 5 40 DDBB O=S(=O)(c1ccc(F)c(F)c1)N1CC[N+]2(CCCC2)CC1 6587456 OMFSUBQUDKFPSY-UHFFFAOYSA-N 317.381 1.580 5 40 DDBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)CO 4180795 GOMJPEPAMCWQEV-UHFFFAOYSA-N 311.338 1.170 5 40 DDBB C[C@@H]1COCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 25139734 UTDXNOKLVGIACP-SNVBAGLBSA-N 317.305 1.036 5 40 DDBB Cc1ccc(C(=O)NCCCCN2CCOCC2)cc1[N+](=O)[O-] 48286879 PIRXIDIPHGLQLJ-UHFFFAOYSA-N 321.377 1.745 5 40 DDBB Cc1cc(CN(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)no1 29728419 XBVAPGZRQQHFCL-CQSZACIVSA-N 321.333 1.763 5 40 DDBB CN(C[C@H](O)COCc1ccccc1)c1c([N+](=O)[O-])ncn1C 71900390 UGSXRAPKGPWUOB-ZDUSSCGKSA-N 320.349 1.342 5 40 DDBB CCCc1csc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n1 92262218 WRGCJYLFIPVIAP-UHFFFAOYSA-N 308.319 1.944 5 40 DDBB Cc1cccc(N(C)C[C@@H](O)CN2CCOCC2)c1[N+](=O)[O-] 225459516 IXWVVBNAUPYWPB-CYBMUJFWSA-N 309.366 1.033 5 40 DDBB C[N@+]12CCCC[C@@H]1[C@H](COC(=O)CN1CCOCC1)CCC2 585162687 CCFPFHWXYMZYJJ-FRQCXROJSA-N 311.446 1.271 5 40 DDBB CC(C)N(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 53834881 ZPKMRFAWDVZCIE-UHFFFAOYSA-N 303.322 1.624 5 40 DDBB O=c1[nH]c(/C=C/c2ccc3c(c2)OCO3)nc(O)c1[N+](=O)[O-] 8951573 KDPJBIBWVYRTBO-DUXPYHPUSA-N 303.230 1.283 5 40 DDBB CCN(CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4413867 YLVCTFKIWRDVQD-UHFFFAOYSA-N 301.368 1.215 5 40 DDBB O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CC2CC2)C1 71888349 UEGLPKQAUYRELC-ZDUSSCGKSA-N 319.361 1.574 5 40 DDBB C[C@H](Cn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1)C(=O)O 408715283 AMXXQMGERZSYGD-ZCFIWIBFSA-N 311.216 1.843 5 40 DDBB O=[N+]([O-])c1ccccc1NC[C@H]([C@@H]1CCOC1)N1CCOCC1 24203849 ZDJZTZRRMMYCEW-CZUORRHYSA-N 321.377 1.744 5 40 DDBB Cc1cc(C)c(NC(=O)C[C@@H]2SC(=N)NC2=O)c([N+](=O)[O-])c1 18122568 COCWWSBTSVHSHT-VIFPVBQESA-N 322.346 1.707 5 40 DDBB O=c1ccc([N+](=O)[O-])cn1Cc1nc(Cc2ccccc2)no1 31647051 JSIGNLQBXUBKBJ-UHFFFAOYSA-N 312.285 1.779 5 40 DDBB C[C@@H](Cn1ccnc1)NC(=O)CCNc1ccccc1[N+](=O)[O-] 52749844 UPDZRUUDVCMGQJ-LBPRGKRZSA-N 317.349 1.798 5 40 DDBB C[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)N1CCOCC1 33081289 CBWGLRNXYAGECH-URWSZGRFSA-N 319.361 1.445 5 40 DDBB Nc1nc(NCC(=O)O)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] 4306358 ARPIUXSDIAWUEV-UHFFFAOYSA-N 322.256 1.346 5 40 DDBB Cc1nn(C)cc1-c1nnc(CCn2cc([N+](=O)[O-])cn2)o1 2790249 IXLFYPCMIVGTFE-UHFFFAOYSA-N 303.282 1.126 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)O 63110829 NPNZWNCDQBAUAE-QOSJWCAFSA-N 306.274 1.291 5 40 DDBB O=C(Nc1cccc(CN2CCSCC2)c1)[C@H]1C[C@H]1[N+](=O)[O-] 84374370 NRJWMKJXYJEZJA-UONOGXRCSA-N 321.402 1.839 5 40 DDBB CN(C)C(=O)CCNc1c(Br)cncc1[N+](=O)[O-] 91453310 YADYHSWAHJJNEY-UHFFFAOYSA-N 317.143 1.643 5 40 DDBB CCn1nc([N+](=O)[O-])c(I)c1C(=O)O 72339428 VBYVMRVQTIFLAM-UHFFFAOYSA-N 311.035 1.114 5 40 DDBB C[C@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 222191860 KSFCXQHZDYXHJQ-NOXHYTERSA-N 314.297 1.818 5 40 DDBB CCCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)NC1=S 202782 IGUFQQSYVBYOES-TWGQIWQCSA-N 307.331 1.768 5 40 DDBB CCOC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 5459343 XAWBYQLWXCPMOV-UHFFFAOYSA-N 307.306 1.509 5 40 DDBB COc1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] 3304080 OMWWPBFUWNZLIR-UHFFFAOYSA-N 310.306 1.675 5 40 DDBB Cc1cnc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)o1 95416394 CNNKKVUXWWDJCH-UHFFFAOYSA-N 314.095 1.864 5 40 DDBB COc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c([N+](=O)[O-])c1 17031480 PHOLDHULRUIWDK-UHFFFAOYSA-N 307.222 1.487 5 40 DDBB COCC(=O)N1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 89626397 GLYTUIDDJHVDHT-UHFFFAOYSA-N 307.350 1.953 5 40 DDBB O=C(O)Cc1c[nH]c(=S)n(-c2cccc([N+](=O)[O-])c2)c1=O 20156353 GPNLQSWMUFXDQI-UHFFFAOYSA-N 307.287 1.430 5 40 DDBB Cc1cnc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)s1 96480963 OGCMQCWQGCZWPP-UHFFFAOYSA-N 310.339 1.056 5 40 DDBB C[N+]1(CCOC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)CCOCC1 247633212 CDFJUUFTPWMARE-NLWGTHIKSA-N 312.498 1.889 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C)[nH]1 11657711 BTJYEKWOIMDVQI-UHFFFAOYSA-N 323.334 1.761 5 40 DDBB NC(=O)c1ccc(COC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c([N+](=O)[O-])c1 102132537 UXRUXKYXNNAGKF-OUJBWJOFSA-N 316.313 1.949 5 40 DDBB C[N+]1(C)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]21 100069023 LZCOQTDXKCNBEE-AKIOUEHJSA-N 318.393 1.063 5 40 DDBB in-man CSc1nnc(C)n1NC(=O)COc1ccc([N+](=O)[O-])cc1 107615890 RLZVONLKTVWQPV-UHFFFAOYSA-N 323.334 1.366 5 40 DDBB CCOC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C 12396703 VNUPBKHARPLEHB-UHFFFAOYSA-N 308.294 1.930 5 40 DDBB O=C(CCNc1ccc([N+](=O)[O-])cn1)NCc1ccccn1 13691496 KSEWATAARUYHMD-UHFFFAOYSA-N 301.306 1.503 5 40 DDBB CC(C)CNC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 72273601 FRXVORQWJXECNT-JTQLQIEISA-N 323.324 1.859 5 40 DDBB CCc1nn(C)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1O 97163951 AOLQGXFIDPMGSK-UHFFFAOYSA-N 304.306 1.526 5 40 DDBB CN(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 78556722 XZXDKCFXIVBMOZ-UHFFFAOYSA-N 322.346 1.857 5 40 DDBB O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc[nH]1 7654286 QHVKLONIQJIHFU-UHFFFAOYSA-N 304.258 1.728 5 40 DDBB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc([N+](=O)[O-])c1 7719073 PKIVOYUIVXDCLD-UHFFFAOYSA-N 324.296 1.943 5 40 DDBB CCOc1ccc(C(=O)N(C)Cc2cnn(C)c2)cc1[N+](=O)[O-] 24475044 PGVKTGAZVQCGDE-UHFFFAOYSA-N 318.333 1.999 5 40 DDBB C[C@H]1CN(c2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 13779219 ROFDMZPDAYZMNC-AOOOYVTPSA-N 322.369 1.181 5 40 DDBB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 5250774 QDZRKPVWZOOYHJ-UHFFFAOYSA-N 317.276 1.989 5 40 DDBB CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(N)=O)C1 69567958 PAMXOKKSEFGGSW-LLVKDONJSA-N 307.350 1.689 5 40 DDBB Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] 28326836 FSHYQCVUNFDGGQ-MFKMUULPSA-N 314.363 1.749 5 40 DDBB CC1(C)Cc2cccc(OCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2O1 44502477 HUQNOPKQHOBVBT-VXGBXAGGSA-N 320.345 1.560 5 40 DDBB O=C([C@H]1CCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 9157391 IXEGXGFEJGITLJ-CQSZACIVSA-N 305.334 1.422 5 40 DDBB O=C(O)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CCCCC1 256048124 QWDILUOBWASNBP-UHFFFAOYSA-N 317.305 1.864 5 40 DDBB CC1CCN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])CC1 5215649 YZCBUEKJJUGJGQ-UHFFFAOYSA-N 322.369 1.040 5 40 DDBB C[N+]1(CCOC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)CCOCC1 247633206 CDFJUUFTPWMARE-BJLQDIEVSA-N 312.498 1.889 5 40 DDBB O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 45059889 KQKZRSYGBGNFBK-KBPBESRZSA-N 318.329 1.479 5 40 DDBB CC(C)CN[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)O 3354664 BDFATPKDJNCZEI-GFCCVEGCSA-N 309.322 1.622 5 40 DDBB O=[N+]([O-])c1c(N(CCO)Cc2cccnc2)nc2sccn12 76061277 DFBOYLRBTRENGW-UHFFFAOYSA-N 319.346 1.698 5 40 DDBB COc1cc(C(=O)NCc2ccncc2)c([N+](=O)[O-])cc1OC 5798313 GUZJXKYLESPERN-UHFFFAOYSA-N 317.301 1.937 5 40 DDBB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccccc1[N+](=O)[O-] 5962271 FFUHGJFQKRCIEW-UHFFFAOYSA-N 317.257 1.024 5 40 DDBB COc1cccc(CNC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)c1 97048014 LZFLHGLBPWEDFB-SNVBAGLBSA-N 304.306 1.677 5 40 DDBB Cc1cc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)n[nH]1 97109263 POXAKIMUQQDEMD-MRVPVSSYSA-N 304.306 1.693 5 40 DDBB CC1(C)OC(=O)C(=C(O)Cc2ccccc2[N+](=O)[O-])C(=O)O1 526059746 CDZXEMHOWMKHMA-UHFFFAOYSA-N 307.258 1.786 5 40 DDBB C[C@@H](c1nc2c3ccccc3ncn2n1)n1cc([N+](=O)[O-])cn1 2806435 VPVNUTLMRPIBET-VIFPVBQESA-N 309.289 1.992 5 40 DDBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1nncn1C1CC1 71882354 DPBVWDZYAKVTEY-QPJJXVBHSA-N 313.317 1.851 5 40 DDBB O=C(NC1CC1)[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] 54988830 YQJVRMJXSFFMPO-AWEZNQCLSA-N 319.361 1.717 5 40 DDBB C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 106580239 RQXSOMDWCYLZAJ-CYDGBPFRSA-N 319.361 1.697 5 40 DDBB Nc1nc(NC[C@@H]2CCN(c3ccccc3)C2)ncc1[N+](=O)[O-] 75572664 SAMZZXURNNCOLP-NSHDSACASA-N 314.349 1.905 5 40 DDBB Cc1cc([N+](=O)[O-])cn(CC[S@](=O)c2ccccc2)c1=O 96480841 WPITWZKHCLOQMO-OAQYLSRUSA-N 306.343 1.873 5 40 DDBB C[N+]1(C[C@H](O)COCCO[C@H]2C[C@H]3CC[C@H]2C3)CCOCC1 245239716 AAKUNFYHSUBHKE-QAETUUGQSA-N 314.446 1.046 5 40 DDBB COC(=O)c1ccccc1N(C)C(=O)Cn1cnc([N+](=O)[O-])c1 24928168 OJRRSRCKKAKHHN-UHFFFAOYSA-N 318.289 1.241 5 40 DDBB CC(C)(C)c1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)on1 31672197 ZUUJVVQUQOPQQL-UHFFFAOYSA-N 320.305 1.681 5 40 DDBB Cc1cc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)on1 32830066 PJZYCHNJQDOTSX-UHFFFAOYSA-N 306.230 1.977 5 40 DDBB Nc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] 3912676 GUACPIVNKGIDLP-UHFFFAOYSA-N 300.322 1.294 5 40 DDBB CC1(C)OC[C@H](Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)O1 521393761 RSLXCGYUQMDLCV-JTQLQIEISA-N 305.290 1.456 5 40 DDBB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])o1 46930947 IMCKKJHBZRXVAX-JTQLQIEISA-N 311.319 1.544 5 40 DDBB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 18149381 QJGCZUQKDBPRIE-SECBINFHSA-N 309.322 1.248 5 40 DDBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 4950337 CENOPJKNNWPORV-SECBINFHSA-N 320.754 1.706 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCO1 10233837 KFMZKZOZQOQSSY-LLVKDONJSA-N 300.336 1.361 5 40 DDBB O=C(NCCO)C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 58264318 JWVUGHSTVRFUGO-UHFFFAOYSA-N 311.313 1.059 5 40 DDBB CN(C)c1noc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 96005607 BZKPURLBRGIYDU-NSHDSACASA-N 303.278 1.910 5 40 DDBB COC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 65711824 XVZGAEVXPHBYEK-UHFFFAOYSA-N 318.289 1.525 5 40 DDBB CC(C)(CNc1ccccc1[N+](=O)[O-])N1CCS(=O)CC1 71920588 MRAOWOCXVUFZHQ-UHFFFAOYSA-N 311.407 1.850 5 40 DDBB O=c1onc(-c2cccs2)n1CCn1ccc([N+](=O)[O-])n1 95990839 HQQAZUAZRIKJRR-UHFFFAOYSA-N 307.291 1.370 5 40 DDBB COCc1nc2n(n1)CCC[C@H]2Nc1ccc([N+](=O)[O-])cn1 95415159 GRQLSCRROJYXID-SNVBAGLBSA-N 304.310 1.675 5 40 DDBB CN(C)[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1(C)C 585142393 WATQHRGJQWPYNU-MNOVXSKESA-N 307.354 1.229 5 40 DDBB Cc1ccnc(N2CCC(c3nc(N)n[nH]3)CC2)c1[N+](=O)[O-] 585142400 WGXKUIHNZOUYNX-UHFFFAOYSA-N 303.326 1.383 5 40 DDBB Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2483697 YPQGBSGODJLBKC-UHFFFAOYSA-N 300.321 1.556 5 40 DDBB C[C@H]1CN(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 20606242 UYOHAZXKVJSVJY-TUAOUCFPSA-N 308.334 1.998 5 40 DDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccccn1 6820114 OURWGPUHERMBFT-UHFFFAOYSA-N 307.331 1.511 5 40 DDBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCN1CCCC1=O 33023731 JDPAZOQLLJRLKR-BQYQJAHWSA-N 317.345 1.737 5 40 DDBB Cc1n[nH]c2c1[C@H](c1ccccc1[N+](=O)[O-])C1=C(COC1=O)N2 20086537 BEPKYCBNLUGZNV-LBPRGKRZSA-N 312.285 1.995 5 40 DDBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(N)=O)cc2[N+](=O)[O-])C1 7141051 GIJHFTVJBMIRRN-SNVBAGLBSA-N 321.333 1.473 5 40 DDBB CNC(=O)[C@H]1CCCN(c2sc(C(C)=O)cc2[N+](=O)[O-])C1 95997121 HDECPTTWJWCGKL-VIFPVBQESA-N 311.363 1.821 5 40 DDBB C[C@@H]1CN(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 21841435 QZRLDIGOLDSKGT-NXEZZACHSA-N 311.313 1.782 5 40 DDBB CC(C)(C(=O)NCCc1cccc([N+](=O)[O-])c1)N1CCOCC1 283048147 BPOCZUJQSFQJST-UHFFFAOYSA-N 321.377 1.364 5 40 DDBB COc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 6120070 NTHLPVDDUVMEMY-UHFFFAOYSA-N 317.301 1.082 5 40 DDBB C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCCO1 27895789 VHLZRLCLRLKOJO-QPUJVOFHSA-N 309.278 1.800 5 40 DDBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(C(=O)C2CCCC2)CC1 29322422 MDMRLXNQBMRANH-UHFFFAOYSA-N 321.333 1.662 5 40 DDBB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CS2 23243625 USJKCWFATYEHOX-RISCZKNCSA-N 321.358 1.987 5 40 DDBB CN(CC(=O)N1CCCC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 32461808 JEAFANBVLVVFGS-BQYQJAHWSA-N 317.345 1.689 5 40 DDBB CC(C)CN1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 12780808 DTAPIMZDKHEYQP-OAHLLOKOSA-N 321.377 1.681 5 40 DDBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1O 102796508 BWUXDNBZWJELLD-XQRVVYSFSA-N 319.273 1.658 5 40 DDBB COc1ncnc2c1N[C@H](NN)c1cc([N+](=O)[O-])ccc1S2 19171944 VYKISZJVRVECKQ-SNVBAGLBSA-N 320.334 1.432 5 40 DDBB CC(=O)NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 67366450 ZWCWJRGBTCEKCZ-GFCCVEGCSA-N 305.334 1.583 5 40 DDBB Cc1nc2ncc3c(=O)n(-c4cccc([N+](=O)[O-])c4)ccc3n2n1 22608980 WPHUFRATNWVDHN-UHFFFAOYSA-N 322.284 1.645 5 40 DDBB N[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 97019582 HHPHUQFPWWQDIN-CYBMUJFWSA-N 321.380 1.714 5 40 DDBB O=C(Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC(=O)N(CC2CC2)C1 78551851 RYEAXOVOMZKPFM-JTQLQIEISA-N 321.308 1.931 5 40 DDBB CCN(CC(=O)NC[C@@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 30967548 CPHAWGAQTJCYCL-HNNXBMFYSA-N 321.377 1.712 5 40 DDBB COc1ccc(F)cc1S(=O)(=O)n1c([N+](=O)[O-])cnc1C 816482 ZIUYYWYIBNZFHH-UHFFFAOYSA-N 315.282 1.484 5 40 DDBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)ccnc2n(C)c1=O 4736758 ZXNLAJIQGWNUOS-UHFFFAOYSA-N 312.285 1.207 5 40 DDBB O=C(CNc1cccc([N+](=O)[O-])c1)NC(=O)NCc1ccco1 8162435 BXXRLUUARLTQTB-UHFFFAOYSA-N 318.289 1.626 5 40 DDBB biogenic CN1CCO[C@]2(CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 96268608 SWIMXTVHMVYXKE-MRXNPFEDSA-N 319.361 1.532 5 40 DDBB COc1cncc(N2CCN(c3sccc3[N+](=O)[O-])CC2)n1 96492816 QLVTXWTVWVDBMT-UHFFFAOYSA-N 321.362 1.782 5 40 DDBB COCCCNc1nc(N)c([N+](=O)[O-])c(N2CCC[C@H](C)C2)n1 5148145 CTQOAYMQHMSXPI-JTQLQIEISA-N 324.385 1.652 5 40 DDBB COC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1732848 DVQNPXRNODQLBI-UHFFFAOYSA-N 320.301 1.924 5 40 DDBB CC(C)[C@H](C)NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 3447771 ZLXCMXOTXXFTTG-JTQLQIEISA-N 318.333 1.465 5 40 DDBB CCOC(=O)N1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 9496056 XXZKWIZFTGYRDZ-UHFFFAOYSA-N 321.333 1.818 5 40 DDBB C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccc(F)cc1 15608374 VCLIJEREJIUDFA-QMMMGPOBSA-N 305.265 1.913 5 40 DDBB Cc1cc(-c2nn3c(=O)c(C)nnc3s2)ccc1[N+](=O)[O-] 8394010 VZTQNJFGDVGJLN-UHFFFAOYSA-N 303.303 1.738 5 40 DDBB CCOC(=O)CN1CCO[C@H](COc2ccc([N+](=O)[O-])cc2)C1 217503019 HSXWGKSSFWODNN-AWEZNQCLSA-N 324.333 1.238 5 40 DDBB Cc1[nH]nc(C(=O)NC[C@@H](C)Nc2ccccc2)c1[N+](=O)[O-] 96449976 CQOMECRRNXJPQV-SECBINFHSA-N 303.322 1.857 5 40 DDBB C[C@H]1CCCN(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)C1 5723349 BDZUOUBAFKZMKB-JTQLQIEISA-N 300.336 1.950 5 40 DDBB NC(=O)[C@H]1C(=O)c2ccccc2[C@]1(C[N+](=O)[O-])c1ccccc1 1690850 WLXQWHPNVGRJGU-PBHICJAKSA-N 310.309 1.547 5 40 DDBB CCn1c(C)nnc1CN1CCc2ncc([N+](=O)[O-])cc2C1 97110164 DBDYCJPMIIIBLA-UHFFFAOYSA-N 302.338 1.468 5 40 DDBB CC[C@@](C)(O)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 58167991 SZVYUCJVCKTJOG-GFCCVEGCSA-N 302.352 1.571 5 40 DDBB CS1(C)=Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S(=O)(=O)N=1 5759476 ZXLGMRZWWGMFSI-UHFFFAOYSA-N 320.308 1.618 5 40 DDBB CCN(CC(=O)NC(=O)NC1CC1)Cc1cccc([N+](=O)[O-])c1 30967489 PFEIAWATABRQMA-UHFFFAOYSA-N 320.349 1.405 5 40 DDBB CCN1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 27224077 ULCOVSAYXMEFOG-UHFFFAOYSA-N 317.349 1.782 5 40 DDBB O=C(O)[C@@H]1CC(=O)N(c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 12736788 IHOMIOLKZPOBBF-SNVBAGLBSA-N 319.317 1.633 5 40 DDBB COC[C@@]1(C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2C)C1=O 66082880 WOBUWKDLAYXBTP-CQSZACIVSA-N 307.306 1.360 5 40 DDBB O=C(COC(=O)c1ccccn1)Nc1ccc([N+](=O)[O-])cc1 5693493 FAYBXGGYDVHPIG-UHFFFAOYSA-N 301.258 1.785 5 40 DDBB CCN(CC(=O)NC[C@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 30967550 CPHAWGAQTJCYCL-OAHLLOKOSA-N 321.377 1.712 5 40 DDBB COc1nccnc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 95629675 CFIMBINHVKTZCH-UHFFFAOYSA-N 310.291 1.194 5 40 DDBB O=C(NCc1cccnc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 10326800 PFKSJUCPTQKABX-UHFFFAOYSA-N 318.264 1.384 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]1c1cccs1 53835626 DMBXANRGXSDBLP-SECBINFHSA-N 307.335 1.612 5 40 DDBB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 44467875 KQRFWZPZEDRKNB-BXUZGUMPSA-N 314.345 1.934 5 40 DDBB O=C(O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 3864744 AVATZSJXFSPYLU-VIFPVBQESA-N 314.319 1.080 5 40 DDBB CCc1nnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1N 196814032 CGULMBGXSHEUDI-UHFFFAOYSA-N 310.295 1.522 5 40 DDBB Cc1cc(=O)n(Cc2nc(-c3ccco3)no2)cc1[N+](=O)[O-] 89568496 VFBJNJITGAOHKR-UHFFFAOYSA-N 302.246 1.756 5 40 DDBB Cc1cc(C(=O)OCC(=O)NCc2ccco2)ccc1[N+](=O)[O-] 3317334 GATJUJMAXWDSIK-UHFFFAOYSA-N 318.285 1.969 5 40 DDBB O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(n2ccnc2)CC1 69520585 VBSFVVISUNAZLX-UHFFFAOYSA-N 316.317 1.974 5 40 DDBB CNc1ccc(CNCCC(=O)N2CCCC2)cc1[N+](=O)[O-] 89396013 BKLASCGQDQVRDA-UHFFFAOYSA-N 306.366 1.739 5 40 DDBB C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CO1 40501690 VLWVZMPLWRGEKK-ZJUUUORDSA-N 300.336 1.393 5 40 DDBB C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 14220970 GYBUPFVMQKOAME-MWLCHTKSSA-N 300.336 1.441 5 40 DDBB C[C@@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 22612103 CSTDQUBHRNOSOF-VXGBXAGGSA-N 307.350 1.434 5 40 DDBB O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1c2ccccc2C[C@@H]1O 78997043 UHKCRJDMLZAOMZ-RDJZCZTQSA-N 312.325 1.912 5 40 DDBB O=[N+]([O-])c1cccc(-n2nnnc2CNCc2ccccc2)c1 4907298 GGRYTFPDCBHQIR-UHFFFAOYSA-N 310.317 1.860 5 40 DDBB Cc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 58045005 JOFBSYIBGNNQRA-JTQLQIEISA-N 313.335 1.212 5 40 DDBB Cc1cc([N+](=O)[O-])nn1CCc1nc2c3ccccc3ncn2n1 2806512 IZVNKBSQVAWSJL-UHFFFAOYSA-N 323.316 1.933 5 40 DDBB Cn1cc(C[C@H]2CCN(c3cc(CO)ccc3[N+](=O)[O-])C2)cn1 95993858 PHQRBGYMRDLMBK-GFCCVEGCSA-N 316.361 1.890 5 40 DDBB COCCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 36398309 VFCKNRUNFRMALP-UHFFFAOYSA-N 320.305 1.455 5 40 DDBB CCC[N+](C)(C)CCCOC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 5352085 BXSSFQJPTIHPHH-SEBNEYGDSA-N 310.414 1.604 5 40 DDBB CN(C)C(=O)c1cccc(NC(=O)Cn2nccc2[N+](=O)[O-])c1 57515990 ADJMATJPPPXNML-UHFFFAOYSA-N 317.305 1.132 5 40 DDBB CCOc1cccc(N2C[C@@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] 195563919 OQECODPPPFTYOD-OCCSQVGLSA-N 307.350 1.513 5 40 DDBB CCOc1ccc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1 33391539 CPTPPMRMJYKAFK-YVMONPNESA-N 303.274 1.953 5 40 DDBB Cn1c2nc(=O)n(-c3ccccc3)c(=O)c-2nc2ccccc21 1565048 CLMXCTGQWWTLGP-UHFFFAOYSA-N 304.309 1.584 5 40 DDBB Cc1cc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)no1 29728421 XBVAPGZRQQHFCL-AWEZNQCLSA-N 321.333 1.763 5 40 DDBB CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC(=O)N(C)C 69620471 WEOIRSVQGADJPR-UHFFFAOYSA-N 309.366 1.902 5 40 DDBB CCN1C[C@@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)CC1=O 69895392 PVFKKKBBSVEPRV-PWSUYJOCSA-N 317.345 1.741 5 40 DDBB O=C(O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 966735 DEZJLIXJXQEJDP-WEVVVXLNSA-N 308.271 1.716 5 40 DDBB CCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 78903931 QFXGXLZWQDHOIV-UHFFFAOYSA-N 323.168 1.998 5 40 DDBB O=[N+]([O-])c1ccc(NC[C@H]([C@@H]2CCOC2)N2CCCC2)nc1 48301256 NIVMVRMPASJWCZ-TZMCWYRMSA-N 306.366 1.903 5 40 DDBB O=C(NCc1ccc(F)cc1)c1noc([C@@H]2C[C@@H]2[N+](=O)[O-])n1 78774248 NTOQHJKPCJNKCZ-ZJUUUORDSA-N 306.253 1.271 5 40 DDBB COC(=O)c1ccc(Sc2nnc(C)n2N)c([N+](=O)[O-])c1 70462336 LVPPKZNNZKIXNV-UHFFFAOYSA-N 309.307 1.146 5 40 DDBB Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(O)n1 390835488 OPLPRCLMTCXFHN-UHFFFAOYSA-N 309.303 1.805 5 40 DDBB CCCc1[nH]nc(C(=O)NCc2nncn2C2CC2)c1[N+](=O)[O-] 72283364 KHCXZYHTTZTTHP-UHFFFAOYSA-N 319.325 1.127 5 40 DDBB C[N+]1(C[C@H](O)COC23CC4CC(CC(C4)C2)C3)CCOCC1 16975564 ARSJZTIZCMBRDU-LESVLKBLSA-N 310.458 1.810 5 40 DDBB Cc1nn(CCC(=O)N2CCN3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] 2775130 MTGFMMPQSGWMJZ-ZDUSSCGKSA-N 321.381 1.105 5 40 DDBB NS(=O)(=O)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 71899642 HJQPSNMGNIICNT-SECBINFHSA-N 317.342 1.239 5 40 DDBB O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@@H]1CO 81487621 FKZLIKNROYHYKC-UKRRQHHQSA-N 321.377 1.988 5 40 DDBB CN(C)CCNc1ccc2nnn3c4ccc(O)cc4c(=O)c1c23 5140451 OMSFZBMJHQNEQZ-UHFFFAOYSA-N 323.356 1.513 5 40 DDBB in-vivo CS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 5688536 JWSXUZMEZMZHNO-VIFPVBQESA-N 300.336 1.589 5 40 DDBB O=[N+]([O-])c1c(Cl)ncnc1N1CCN(c2ccccn2)CC1 40448192 CNRDHYAHQFPAHY-UHFFFAOYSA-N 320.740 1.760 5 40 DDBB CCOC(=O)c1ccc(Sc2nnc(C)n2N)c([N+](=O)[O-])c1 70462337 RICDELQQYZZECO-UHFFFAOYSA-N 323.334 1.536 5 40 DDBB CC[C@H](O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 11565778 ZUZCBBVHCRNQRJ-JTQLQIEISA-N 306.274 1.202 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]2CCCC[C@@H]2C1 7020428 KQAVBIDOYUHKCJ-CHWSQXEVSA-N 319.361 1.795 5 40 DDBB O=[N+]([O-])c1cccnc1NC[C@@H]([C@H]1CCOC1)N1CCCC1 44976796 BTDACPAGFNMFRP-JSGCOSHPSA-N 306.366 1.903 5 40 DDBB O=[N+]([O-])c1ccc([C@H]2NS(=O)(=O)N=C3CCCCCN32)cc1 2642035 HFAFFKANHPJHCW-ZDUSSCGKSA-N 324.362 1.716 5 40 DDBB Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2CN)cc1[N+](=O)[O-] 89091932 HCBCNWPHRFGPJB-JQWIXIFHSA-N 313.379 1.309 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccccc1OC(F)F 48366450 MTPZZOXGCTXTHS-UHFFFAOYSA-N 313.220 1.426 5 40 DDBB CN1CCN(c2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)CC1 4428020 BRYIYCGPBYXLCO-UHFFFAOYSA-N 317.305 1.803 5 40 DDBB Cc1cc(C(=O)Nc2ncc(C(N)=O)s2)ccc1[N+](=O)[O-] 12795562 RGBQVOWFBMQPPT-UHFFFAOYSA-N 306.303 1.711 5 40 DDBB Cc1nc(N(C)CCO)nc(NCc2ccccc2)c1[N+](=O)[O-] 56905983 GESWYGCSNCINTI-UHFFFAOYSA-N 317.349 1.734 5 40 DDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN2CCCC[C@H]12 47226763 ZCLZHUCGMCWEDK-LSDHHAIUSA-N 303.362 1.880 5 40 DDBB CC1=C(C(=O)N(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 5523494 KWIBXNWOWJQOMI-GFCCVEGCSA-N 304.306 1.311 5 40 DDBB Nc1c(C(=O)N2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 5750118 UHRIZZKFLGOAED-UHFFFAOYSA-N 316.321 1.384 5 40 DDBB CNc1ccc(C(=O)N[C@@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] 69528487 NHRMGUYXDWTXSU-JTQLQIEISA-N 320.349 1.377 5 40 DDBB COC(=O)c1ccc(CCn2cccc([N+](=O)[O-])c2=O)cc1 88499959 IATLMXZAOPQLNR-UHFFFAOYSA-N 302.286 1.786 5 40 DDBB O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccncc2)c1 44846132 JRSBOUCRYKARKQ-UHFFFAOYSA-N 307.331 1.609 5 40 DDBB CN(Cc1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])cn1 32927103 HEMNPQMLQKKXSS-UHFFFAOYSA-N 302.338 1.944 5 40 DDBB CC[C@H](C)CS(=O)(=O)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 72281363 JDJPXGMBVWAFCG-QMMMGPOBSA-N 315.351 1.283 5 40 DDBB CCOC(=O)c1ccsc1NC(=O)Cn1cnc([N+](=O)[O-])c1 12792733 CXICMLLKEJWJIN-UHFFFAOYSA-N 324.318 1.668 5 40 DDBB O=c1[nH]ncc(N2CCc3ccc([N+](=O)[O-])cc3C2)c1Cl 89807681 WVUDHMUYTGVWKJ-UHFFFAOYSA-N 306.709 1.894 5 40 DDBB CC(C)CN[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1N)C(=O)O 72438747 ORRJPAQTBGPEGT-GFCCVEGCSA-N 324.337 1.204 5 40 DDBB O=C(Oc1ccc[nH]c1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13597746 NTSJFFXAGDUGRW-UHFFFAOYSA-N 305.202 1.411 5 40 DDBB O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1C[C@H]1[N+](=O)[O-] 52901898 NURKREYWLBYVGS-NWDGAFQWSA-N 310.281 1.016 5 40 DDBB CCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-] 26347074 INQWIBUHBJTPON-JTQLQIEISA-N 308.338 1.261 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2ncnn21 4815662 ZDOJVFZLZMTPKU-JTQLQIEISA-N 316.277 1.017 5 40 DDBB O=C1c2ccccc2C(=O)N1CCn1cc([N+](=O)[O-])ccc1=O 7020384 NQTHBZUHYVDTIN-UHFFFAOYSA-N 313.269 1.053 5 40 DDBB CCCC[N+](C)(C)CCCOC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 5352092 BOWFDXSUABGSFT-LEOABGAYSA-N 324.441 1.994 5 40 DDBB CC[N+](C)(C)CCNC(=O)c1c(O)[nH]c2ccccc2c1=O 6197577 XRNQQNODOFUWGO-UHFFFAOYSA-O 304.370 1.060 5 40 DDBB CC1(COC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)COC1 58159335 CWOASLLQHZGMEK-UHFFFAOYSA-N 317.301 1.974 5 40 DDBB Nc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] 69779824 HMCXNEGSRIAQHK-CYBMUJFWSA-N 318.377 1.877 5 40 DDBB CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@]1(C)CCS(=O)(=O)C1 575420443 INYPXUOUCFWIHE-AWEZNQCLSA-N 312.391 1.994 5 40 DDBB O=c1cc(Cn2cnc([N+](=O)[O-])c2)nc2ccc(Cl)cn12 31804781 KIUQOFVLGYJPDE-UHFFFAOYSA-N 305.681 1.501 5 40 DDBB COc1ccc(C(=O)N[C@H](C)Cn2cccn2)cc1[N+](=O)[O-] 24805852 RZDREDWSVQNKAH-SNVBAGLBSA-N 304.306 1.618 5 40 DDBB Cc1cnc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 5787696 OMSBFMQWXULMMV-UHFFFAOYSA-N 316.273 1.489 5 40 DDBB CCN1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1 70461787 JJNYKHOBNQHLRB-UHFFFAOYSA-N 302.338 1.317 5 40 DDBB C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 63193855 XMLLJYVDYSZIRC-ZWNOBZJWSA-N 313.379 1.485 5 40 DDBB CCOC(=O)[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2)C1 45958686 TVQFZBAFIJNXKY-NSHDSACASA-N 321.333 1.418 5 40 DDBB COC(=O)c1occc1Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 72302559 VYVFPRQSRDMCIZ-UHFFFAOYSA-N 318.241 1.931 5 40 DDBB O=C(NCc1ccoc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 45784082 BUTHOIULDZPDKE-UHFFFAOYSA-N 313.273 1.699 5 40 DDBB CCn1cc(CNC(=O)CCn2ncc([N+](=O)[O-])c2C)c(C)n1 2805198 ZRFTUEIOMGUCFP-UHFFFAOYSA-N 320.353 1.331 5 40 DDBB N[C@H]1N=C(O)C2(COC(c3ccc([N+](=O)[O-])cc3)OC2)S1 35183042 AUJMXGIWBKWPHU-ZYXZCXLHSA-N 311.319 1.325 5 40 DDBB CN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 88384213 KRYROZZRYCYKMZ-UHFFFAOYSA-N 304.394 1.811 5 40 DDBB COc1cc(F)c([N+](=O)[O-])c(N(C)CCN2CCCC2=O)c1 76094944 JINDNZZZALBSCN-UHFFFAOYSA-N 311.313 1.801 5 40 DDBB CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(N)=O)cc2)n1 355810 CGGKMXRFSJULDE-UHFFFAOYSA-N 303.278 1.162 5 40 DDBB CC(C)[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)N(C)C 32925726 YKIZBMFIUWFLSX-BOLDSZDNSA-N 319.361 1.837 5 40 DDBB NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 3061383 RGWFJTHQDNSBGG-UHFFFAOYSA-N 321.314 1.495 5 40 DDBB O=C1NCCN1[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 58129018 NMKRLEQKFNDMMW-CYBMUJFWSA-N 304.350 1.584 5 40 DDBB Cc1nnc(Sc2ncccc2[N+](=O)[O-])n1CC(=O)N(C)C 58202342 PVJMYDUNXLZSMT-UHFFFAOYSA-N 322.350 1.129 5 40 DDBB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 101729158 JMXOQCQHCGXZBB-BJDJZHNGSA-N 304.258 1.188 5 40 DDBB CCn1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1=O 47181261 OYMSENYAQSNTML-UHFFFAOYSA-N 317.301 1.794 5 40 DDBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1O 13482085 KPRKULJGDYAYBH-HYXAFXHYSA-N 305.246 1.268 5 40 DDBB Cc1cc(N2CCCN(C3CCOCC3)CC2)ncc1[N+](=O)[O-] 80606816 LMZUBXGKQMSZCZ-UHFFFAOYSA-N 320.393 1.989 5 40 DDBB CCc1ncncc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 45056402 MIHAJNMQSVETCQ-UHFFFAOYSA-N 315.333 1.789 5 40 DDBB O=C(NC[C@H]1CCOC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 48234502 FPOAFOCWQSLBQB-LLVKDONJSA-N 316.317 1.547 5 40 DDBB Cn1nnnc1SCCCNCc1ccc([N+](=O)[O-])cc1 7540469 DJSFZBNRJWKZAM-UHFFFAOYSA-N 308.367 1.390 5 40 DDBB O=[N+]([O-])c1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1O 409332666 QWBVOXYCQCMSMC-RQOWECAXSA-N 320.217 1.580 5 40 DDBB O=C(NCc1ccc(F)cc1)c1noc([C@H]2C[C@@H]2[N+](=O)[O-])n1 78774252 NTOQHJKPCJNKCZ-UWVGGRQHSA-N 306.253 1.271 5 40 DDBB Cc1ccnc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cn2)c1 58227303 QYUBURGNYUDXTI-UHFFFAOYSA-N 301.306 1.768 5 40 DDBB Cc1noc(-c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)n1 20897905 KQQKCDFJSXJHFT-UHFFFAOYSA-N 303.322 1.705 5 40 DDBB Cc1ccc(C(=O)NC[C@@H](O)COc2ccc([N+](=O)[O-])cc2)o1 67929555 IFNDZWZIMCHJQS-GFCCVEGCSA-N 320.301 1.666 5 40 DDBB COc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc([N+](=O)[O-])c1O 70092 HWYBYFLJBWEJRU-QUBYGPBYSA-N 300.292 1.097 5 40 DDBB CC(C)NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3314396 XAQPTCDVTUMNAB-UHFFFAOYSA-N 300.698 1.930 5 40 DDBB O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)C(F)(F)F)CC2)nc1 97378003 NTQCANGYZPLSTI-JTQLQIEISA-N 320.271 1.035 5 40 DDBB CC(=O)N1N=C(C(F)(F)F)C[C@]1(O)c1cccc([N+](=O)[O-])c1 298753 QWGJWSFWLGGKIS-NSHDSACASA-N 317.223 1.910 5 40 DDBB COCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 3209270 FMYITPVDARPKEY-UHFFFAOYSA-N 308.319 1.888 5 40 DDBB CCn1cc(S(=O)(=O)NC2(CC)CCC2)c([N+](=O)[O-])n1 95437321 VUVHBZPCQZDJHN-UHFFFAOYSA-N 302.356 1.422 5 40 DDBB Cc1ccnc(N2CCC[C@@H](c3nc(N)n[nH]3)C2)c1[N+](=O)[O-] 585141898 IAPZAACXSYIOKH-SECBINFHSA-N 303.326 1.383 5 40 DDBB C[N+]1(CCS(=O)(=O)C[N+]2(C)CCCCC2)CCCCC1 1568263 BKRFFFKFOOFIQC-UHFFFAOYSA-N 304.500 1.620 5 40 DDBB CCOC(=O)Cc1csc(Nc2ncnc(N)c2[N+](=O)[O-])n1 9391659 ZNCWGDFMBHHMEF-UHFFFAOYSA-N 324.322 1.273 5 40 DDBB O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc[nH]c1=O 58432996 OKAYMYDBBOMYHH-UHFFFAOYSA-N 312.285 1.877 5 40 DDBB CCCCN(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 12916986 IHDFVUYVNRZPLC-UHFFFAOYSA-N 321.333 1.579 5 40 DDBB O=C(NCc1cc(Cl)cc2c1OCC2)c1n[nH]cc1[N+](=O)[O-] 97375056 VXCIEDPLSPQWCJ-UHFFFAOYSA-N 322.708 1.836 5 40 DDBB NC1=NC(=O)[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 71974639 QGEDLYFPRITRLM-MRXNPFEDSA-N 310.313 1.477 5 40 DDBB O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 55452788 CBCWMCXOKZMPJX-ZIAGYGMSSA-N 322.336 1.655 5 40 DDBB CCCCOc1ccc(CN(CCO)CCO)cc1[N+](=O)[O-] 1820502 XPMLAXMTIKVZNU-UHFFFAOYSA-N 312.366 1.560 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCn3nccc32)cc1 36619552 CCHFQIJNDOMXMP-UHFFFAOYSA-N 308.319 1.390 5 40 DDBB Cc1cc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)cc([N+](=O)[O-])c1 225425530 STZIZBXWEOBCBC-OLZOCXBDSA-N 321.377 1.430 5 40 DDBB CC(C)(CO)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 75613045 QDXCOIAWWNZKGZ-UHFFFAOYSA-N 322.365 1.515 5 40 DDBB C[N+]1(C)[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]21 100069025 LZCOQTDXKCNBEE-SMLCLMEVSA-N 318.393 1.063 5 40 DDBB in-man CCOC(=O)N1CCN(C(=N)Nc2ncccc2[N+](=O)[O-])CC1 225244415 NILVMEABDCMWDW-UHFFFAOYSA-N 322.325 1.111 5 40 DDBB CCNC(=O)CN1CCN(c2sc([N+](=O)[O-])cc2C)CC1 48342815 XFIBKHIXKMOHGO-UHFFFAOYSA-N 312.395 1.223 5 40 DDBB Cc1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 22228197 OTPVEPDUJWMDHV-VXGBXAGGSA-N 307.350 1.951 5 40 DDBB O=[N+]([O-])c1ccc(-c2nc3c(n2O)CCc2c-3no[n+]2[O-])cc1 4663896 XYWMMSTYWKUPNU-UHFFFAOYSA-N 315.245 1.083 5 40 DDBB O=c1c2ccc([N+](=O)[O-])cc2c(=O)n2n1CN(c1ccccc1)C2 20095951 RKBLQHCSYVUDHF-UHFFFAOYSA-N 324.296 1.507 5 40 DDBB O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N1CCCCC1 40445628 CXDNLRXIPBVNDG-UHFFFAOYSA-N 317.143 1.566 5 40 DDBB COc1cc([C@@H]2NC(=O)NC(C)=C2[N+](=O)[O-])cc(OC)c1OC 238064 SZSVIAXFXKZOAJ-NSHDSACASA-N 323.305 1.575 5 40 DDBB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C(N)=O)C1 34887426 QILMBZWXKRSDRJ-MNOVXSKESA-N 320.349 1.119 5 40 DDBB Nc1cccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 36233350 VHGHMWMNJVVKAF-UHFFFAOYSA-N 307.331 1.656 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCOCC1 69514711 JVRMHRDSDMJQTM-UHFFFAOYSA-N 308.338 1.357 5 40 DDBB COC(=O)[C@H]1C[C@H](OC)CN1CCc1ccc([N+](=O)[O-])cc1 95959997 UBKOMJHZGMHGMB-UONOGXRCSA-N 308.334 1.400 5 40 DDBB COC(=O)c1cc(Cl)c(N2CCOCC2)c([N+](=O)[O-])c1 70462625 NLNRCKCAHTZHGT-UHFFFAOYSA-N 300.698 1.871 5 40 DDBB O=[N+]([O-])c1cnc(NCCN2CCC(CO)CC2)c(Cl)c1 96412880 CHVYKTYSOAHVIL-UHFFFAOYSA-N 314.773 1.759 5 40 DDBB C[S@@](=O)CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 76023452 WTGGBJNUPAPJKL-NRFANRHFSA-N 315.370 1.234 5 40 DDBB C[C@H](Cn1ccnc1)NC(=O)CCNc1ccccc1[N+](=O)[O-] 52749845 UPDZRUUDVCMGQJ-GFCCVEGCSA-N 317.349 1.798 5 40 DDBB Cc1nn(CC(=O)NC(=O)NCCC(C)C)c(C)c1[N+](=O)[O-] 9049844 UTHFMTNXMTZVCH-UHFFFAOYSA-N 311.342 1.280 5 40 DDBB COc1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1OC 13482066 NFKPCTDRYBBUQA-XQRVVYSFSA-N 319.273 1.571 5 40 DDBB COCCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] 65622098 GCGDVAPSWLWFCZ-CYBMUJFWSA-N 321.377 1.744 5 40 DDBB O=C(NC1CC=CC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 97081401 VVDXMKLQHQRTLH-AWEZNQCLSA-N 301.302 1.923 5 40 DDBB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C2 97373304 ROMCRIMDBFXCPL-SNVBAGLBSA-N 316.317 1.550 5 40 DDBB CN(C)c1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 194651472 BDLGMFRAKBLDFS-UHFFFAOYSA-N 323.334 1.252 5 40 DDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 46033759 IEQXMTAEXXFSFV-PHIMTYICSA-N 314.363 1.701 5 40 DDBB CC(C)OCCOC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 52744624 WFZOJZAKSGBIDC-UHFFFAOYSA-N 320.305 1.757 5 40 DDBB COc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)c(OC)c1 61445 OSEQRNXHDDCDSS-UHFFFAOYSA-N 306.278 1.447 5 40 DDBB NC(=O)[C@H]1CCCN(CCCNc2ccc(F)cc2[N+](=O)[O-])C1 58264694 WUEKEFIHINIQSO-NSHDSACASA-N 324.356 1.733 5 40 DDBB NC(=O)OCCSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12638807 UPWPCFGOVRIMFR-UHFFFAOYSA-N 310.291 1.832 5 40 DDBB Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc([N+](=O)[O-])cc1 182491 UEXMKVOJEFTHOK-UHFFFAOYSA-N 324.296 1.997 5 40 DDBB COC(=O)c1cccc([N+](=O)[O-])c1CN1CCC[C@H](C(N)=O)C1 52518722 BERHYLKIUWZPFC-JTQLQIEISA-N 321.333 1.079 5 40 DDBB Cc1nc(CN2CCCN(c3ccccc3[N+](=O)[O-])CC2)no1 105792279 DMQJJLWLTLBMMH-UHFFFAOYSA-N 317.349 1.999 5 40 DDBB CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 4504691 YZYLFVFEESSFQS-LBPRGKRZSA-N 312.347 1.244 5 40 DDBB CC(C)c1ccc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] 92007138 FTKUNAZJJZVYIQ-IAQYHMDHSA-N 321.377 1.793 5 40 DDBB CCN(CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] 96794935 MGMBLEVPRQHANI-AWEZNQCLSA-N 321.377 1.712 5 40 DDBB Cc1ccoc1CN[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 75092326 LPQYQBYKSPSSJT-HIFRSBDPSA-N 306.318 1.680 5 40 DDBB O=C(CNc1ccccc1[N+](=O)[O-])NCc1cccc(CO)c1 89814345 PDQWSMZDFVYZMZ-UHFFFAOYSA-N 315.329 1.815 5 40 DDBB O=c1ccc([N+](=O)[O-])cn1Cc1noc(-c2ccsc2)n1 31672617 QEGQTHJKKKSBKX-UHFFFAOYSA-N 304.287 1.916 5 40 DDBB COC(=O)c1ccccc1Cn1cc([N+](=O)[O-])cc(C)c1=O 127197386 GGCATJBBIMLZLO-UHFFFAOYSA-N 302.286 1.900 5 40 DDBB COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)[N@+](C)([O-])CC[C@]314 261506586 BDLSDHWCOJPHIE-PEKXWBJKSA-N 315.369 1.514 5 40 DDBB Cc1ccc(N2CC[C@H](Nc3c([N+](=O)[O-])ncn3C)C2=O)cc1 76063553 PBFQCZDPOTXJIS-LBPRGKRZSA-N 315.333 1.854 5 40 DDBB CS(=O)(=O)c1ccc(NCCCC(=O)O)c([N+](=O)[O-])c1 4189097 RVYQYWOSKUJJRN-UHFFFAOYSA-N 302.308 1.275 5 40 DDBB O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@@H]1[N+](=O)[O-] 32932562 JKYMKFYKYKLAGY-ZJUUUORDSA-N 304.224 1.867 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1NCCN1C[C@@H](C(=O)O)CC1=O 45958642 KOMLTEDPQRBLLE-JTQLQIEISA-N 307.306 1.248 5 40 DDBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)cc1[N+](=O)[O-] 247973992 BVLNLBMVGURYKE-FDYHWXHSSA-N 300.270 1.346 5 40 DDBB COC(=O)CSc1nnc2nnc3c4ccccc4[nH]c3n12 5914557 SPBZKKZWMAFZED-UHFFFAOYSA-N 314.330 1.419 5 40 DDBB O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cc([N+](=O)[O-])c[nH]1 22160957 FBCFVPUVDWXDOD-LBPRGKRZSA-N 319.273 1.054 5 40 DDBB COc1ccc(C(=O)NCc2cc[nH]c(=O)c2)cc1[N+](=O)[O-] 58159757 NDSRIXQVFKJLKC-UHFFFAOYSA-N 303.274 1.222 5 40 DDBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)NCc1cccs1 8329032 VNBNEZXWUZFDHT-MRVPVSSYSA-N 323.330 1.846 5 40 DDBB CO[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@H](CN)C1 195557583 CPPRCOJDIZYHLY-KBPBESRZSA-N 307.350 1.482 5 40 DDBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2nccs2)CC1 32904487 UKSBLDBFPUAERI-UHFFFAOYSA-N 308.319 1.607 5 40 DDBB C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 25412502 GVWZNCWIMJCHSF-TXEJJXNPSA-N 319.361 1.593 5 40 DDBB O=[N+]([O-])c1ncn(C[C@H](O)COc2cccc3[nH]ccc23)n1 95438915 XRCOAYRBLLGKCI-VIFPVBQESA-N 303.278 1.108 5 40 DDBB O=C(c1ccncc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4901083 IRNIMLYEKKRTCV-UHFFFAOYSA-N 312.329 1.952 5 40 DDBB COc1ccc(Nc2nc(NCCO)nc(C)c2[N+](=O)[O-])cc1 5360748 GNYXGBCDWZIPEF-UHFFFAOYSA-N 319.321 1.850 5 40 DDBB CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 35101447 HSHUJEMNSOOLKD-UHFFFAOYSA-N 319.770 1.184 5 40 DDBB Cc1sc(C(=O)N2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] 24999190 ASBCIROYMOFNBF-UHFFFAOYSA-N 312.347 1.944 5 40 DDBB CC(=O)N1CCN(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 34863292 QLUCTXNMEVPHPX-UHFFFAOYSA-N 320.349 1.006 5 40 DDBB NC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 97146891 VYDRXEDZSZRUJP-NSHDSACASA-N 307.237 1.283 5 40 DDBB Cc1cc(N2CCO[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1 97083916 OOWYGRGERCQNGW-LBPRGKRZSA-N 303.318 1.649 5 40 DDBB Cc1ccc(C(=O)NC[C@H](O)COc2ccc([N+](=O)[O-])cc2)o1 63307714 IFNDZWZIMCHJQS-LBPRGKRZSA-N 320.301 1.666 5 40 DDBB CC(=O)O[C@@H](COCc1ccccc1)C[N+]1(C)CCOCC1 494171 QQMNKSQXAPEKTD-QGZVFWFLSA-N 308.398 1.612 5 40 DDBB COCC(=O)N(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)s1 1348918 NKHXPGKAROASTC-UHFFFAOYSA-N 308.319 1.723 5 40 DDBB COC(=O)[C@H](C)OC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 12754011 GKFSSQXUPOPRQR-ZETCQYMHSA-N 313.262 1.330 5 40 DDBB CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O 409236614 SGNBQCAMOJVQFP-XBXARRHUSA-N 322.233 1.121 5 40 DDBB Cc1cnc(N2CCC[C@H]2CN2CCOCC2)c([N+](=O)[O-])c1 160414867 ICHNPKUEKAXZQQ-ZDUSSCGKSA-N 306.366 1.599 5 40 DDBB CN1C(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C1=O 4263812 OSQLFSKXSXNBAN-UHFFFAOYSA-N 315.241 1.666 5 40 DDBB O=C(c1cc2ccc([N+](=O)[O-])cc2oc1=O)N1CCOCC1 279027 LSJSSJIWDIHQKY-UHFFFAOYSA-N 304.258 1.174 5 40 DDBB CC[C@@H](C)[C@H](Nc1ccc(C(=O)NC)cc1[N+](=O)[O-])C(N)=O 84721404 LBQBHKQALAQANF-PELKAZGASA-N 308.338 1.266 5 40 DDBB O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cccnc2)c1 20110358 SJHSHVMRBATTJN-UHFFFAOYSA-N 307.331 1.609 5 40 DDBB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)C1 12660093 GXZIRHIOSJBQPT-AOOOYVTPSA-N 310.306 1.849 5 40 DDBB CC[C@]1(C)NC(=O)N(CCCNc2ncccc2[N+](=O)[O-])C1=O 95395775 IRNVWPSYOCZDCQ-AWEZNQCLSA-N 321.337 1.512 5 40 DDBB Cc1nc2ncc3c(=O)n(-c4ccc([N+](=O)[O-])cc4)ccc3n2n1 22608968 VRLDUMQUUSDGOQ-UHFFFAOYSA-N 322.284 1.645 5 40 DDBB C[S@@](=O)c1nncn1-c1nc2ccc([N+](=O)[O-])cc2s1 95397116 NALZVVJDGIUFRQ-FQEVSTJZSA-N 309.332 1.523 5 40 DDBB Cc1cc([N+](=O)[O-])nn1CC(=O)n1cc(Br)cn1 4727764 LYQJPCRMUTZDCD-UHFFFAOYSA-N 314.099 1.399 5 40 DDBB COC(=O)[C@@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2)C1 45958689 KTLONIJWONTZQG-SNVBAGLBSA-N 307.306 1.028 5 40 DDBB CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN2CCCC[C@H]12 58289899 WTKXIQGSIKFPJM-HUUCEWRRSA-N 318.377 1.993 5 40 DDBB Cc1cc2ncn(C[C@H](O)Cn3cnc([N+](=O)[O-])n3)c2cc1C 95438918 MLUSMUQELSDNGL-NSHDSACASA-N 316.321 1.214 5 40 DDBB CCCNC(=O)[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C 40525440 HLUXVWXDIODLKS-JTQLQIEISA-N 308.338 1.939 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)c1cnccn1 390835001 AOZCZRXBRJDAMZ-UHFFFAOYSA-N 308.319 1.518 5 40 DDBB O=c1cc(C(F)(F)F)nc2nc3c(nnc4ccccc43)nn12 1403382 RKUCTXYOKNQEEH-UHFFFAOYSA-N 318.218 1.600 5 40 DDBB O=C1NC2(CCOCC2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 68923275 UGNYBLAZXWXKRY-UHFFFAOYSA-N 305.290 1.196 5 40 DDBB CNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 33210194 CEMXYFAKLAZWGZ-VFNNOXKTSA-N 317.345 1.735 5 40 DDBB O=C(NC1CCN(Cc2ccccc2F)CC1)[C@H]1C[C@@H]1[N+](=O)[O-] 58424392 QGBNUGCTZIMADX-ZFWWWQNUSA-N 321.352 1.572 5 40 DDBB O=[N+]([O-])c1ccc(COc2ccccc2P(=O)(O)O)cc1 9340400 DUBNPBNZJFQPSG-UHFFFAOYSA-N 309.214 1.977 5 40 DDBB Cc1ccc(C(=O)NCCCN2CCOCC2)cc1[N+](=O)[O-] 20395823 DUSTUHHFVPFELJ-UHFFFAOYSA-N 307.350 1.355 5 40 DDBB O=C(O)CCc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])NC(=O)CC2 3845236 ITVVKYAKCGPQQR-UHFFFAOYSA-N 309.234 1.405 5 40 DDBB biogenic COc1ccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c(OC)c1 58098213 WUNKHSQWVXNOJS-UHFFFAOYSA-N 306.278 1.896 5 40 DDBB O=c1c([N+](=O)[O-])cccn1CCS(=O)(=O)c1ccccc1 96403239 JZARCULCPKSGIB-UHFFFAOYSA-N 308.315 1.230 5 40 DDBB CN1C(=O)[C@H]([C@@H]2OC(=O)c3ccccc32)S/C1=C\[N+](=O)[O-] 5208585 CUHQSXKQBFQMNR-KJNJGPFHSA-N 306.299 1.548 5 40 DDBB CCOC(=O)[C@@H]([C@@H](C[N+](=O)[O-])c1ccccc1)C1(C)OCCO1 5717309 NBEQJYMPWHAXHW-UONOGXRCSA-N 323.345 1.989 5 40 DDBB Nc1nc(NCCO)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] 5119647 LYHBPPFKWJXPEP-UHFFFAOYSA-N 308.273 1.254 5 40 DDBB O=[N+]([O-])c1ccc(N[C@H]2CCS(=O)(=O)C2)c2ncccc12 35186031 UBLGQQRSNJTZTK-VIFPVBQESA-N 307.331 1.742 5 40 DDBB CN(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 12510537 CKTBSSLHUATWNT-UHFFFAOYSA-N 302.290 1.601 5 40 DDBB COc1ccc(S(=O)(=O)Nc2ccn(C)n2)cc1[N+](=O)[O-] 12557165 RQWJHDHEATYHOA-UHFFFAOYSA-N 312.307 1.138 5 40 DDBB CC1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)CC1 5031227 JPRXGXLCZUFVJL-UHFFFAOYSA-N 306.370 1.804 5 40 DDBB CCOc1cccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1 8478899 CADGAHNIRMQUSV-VOTSOKGWSA-N 303.274 1.541 5 40 DDBB O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N1CCOCC1 69569630 KALOYVFCLUCJHB-UHFFFAOYSA-N 316.317 1.317 5 40 DDBB Cc1cc(NC(=O)c2c(C)c(C)nn(C)c2=O)ccc1[N+](=O)[O-] 95991496 KYBRRWIDMOOHQH-UHFFFAOYSA-N 316.317 1.866 5 40 DDBB COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@H](C2)[N+](C)(C)CC[C@]341 95753166 MLIBORQWQWVNCO-PRRIXCOJSA-N 314.405 1.646 5 40 DDBB Cc1ccc2c(c1)nnn2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 264555 KMYCBQPWFVRKPV-UHFFFAOYSA-N 318.314 1.885 5 40 DDBB Cc1noc(/C=C/c2ccc(OCC(N)=O)cc2)c1[N+](=O)[O-] 107669966 HPOBEGPMSGQCMZ-QPJJXVBHSA-N 303.274 1.926 5 40 DDBB Cc1cc(C(=O)NCc2nnc3n2CCC3)ccc1[N+](=O)[O-] 12787437 APHWWMDKLCVUMH-UHFFFAOYSA-N 301.306 1.371 5 40 DDBB O=C(CCn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(F)cc1 95414347 QDTPEBLVBZRCQA-UHFFFAOYSA-N 319.292 1.602 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nnc(-c2ccco2)o1 89799886 CYKRACUZRPTXHC-UHFFFAOYSA-N 304.222 1.073 5 40 DDBB CC(C)OC(=O)c1cc([N+](=O)[O-])ccc1Sc1nncn1N 70462416 YKHNPXFYQNGCAK-UHFFFAOYSA-N 323.334 1.617 5 40 DDBB COC(=O)/C=C(/Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OC 100282123 VZLWMHBOUYOKRI-RMKNXTFCSA-N 314.681 1.890 5 40 DDBB Cc1cc(N2CCCCCC2)c(S(N)(=O)=O)cc1[N+](=O)[O-] 72293288 VZDYJLMMNXQRHF-UHFFFAOYSA-N 313.379 1.931 5 40 DDBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1[N+](=O)[O-] 100522347 BVLNLBMVGURYKE-ZDEQEGDKSA-N 300.270 1.346 5 40 DDBB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 100396886 MFFLPLZYIUINHA-QQXRRDQMSA-N 302.286 1.836 5 40 DDBB O=C(COC(=O)c1ccncc1)Nc1ccc(F)cc1[N+](=O)[O-] 5061613 RQSVGVGKZUEDQE-UHFFFAOYSA-N 319.248 1.924 5 40 DDBB CC(C)CNC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] 4822079 BSTIPUIKDVARMN-BQYQJAHWSA-N 306.318 1.923 5 40 DDBB COc1ccc(OC)c(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1 33458597 GIMLNYJYUGGRPH-HYXAFXHYSA-N 319.273 1.571 5 40 DDBB Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2ccccc2[C@H]1CO 97097649 YZMNBVIAJSHYOS-CYBMUJFWSA-N 316.317 1.060 5 40 DDBB CCCN(CCN(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N 78869446 NEGQADAHYDISLU-UHFFFAOYSA-N 312.345 1.730 5 40 DDBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ncccn2)CC1 135862 ZYJZKLFLABNUNG-UHFFFAOYSA-N 313.317 1.347 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 23425962 QBHIKBMAJQCAMD-GHMZBOCLSA-N 323.349 1.651 5 40 DDBB NC(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5711120 SEFTWDXLOFBNBO-UHFFFAOYSA-N 307.306 1.227 5 40 DDBB COC(=O)[C@H](CC(C)C)NC(=O)CNc1ccc([N+](=O)[O-])cn1 95460545 LIFMXZFEFAIOPN-NSHDSACASA-N 324.337 1.106 5 40 DDBB COc1cccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c1OC 9010353 CVLULYRPLFJFRB-SREVYHEPSA-N 319.273 1.571 5 40 DDBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(OC)c1 9010297 GJUCPFYCXTZSKV-ARJAWSKDSA-N 319.273 1.571 5 40 DDBB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 3900107 XGHKLCSMNZGIHH-RHYQMDGZSA-N 322.248 1.327 5 40 DDBB O=C1c2ccccc2S(=O)(=O)N1c1cccc([N+](=O)[O-])c1 6496367 KSUXOIMHGDUOIS-UHFFFAOYSA-N 304.283 1.944 5 40 DDBB Cc1ccc(Cn2ccs/c2=N/C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 105432892 XSTUVDAWWKNVCV-QVDVFPETSA-N 317.370 1.999 5 40 DDBB C[S@](=O)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 69631305 DTUFTYHRVQPIJU-LJQANCHMSA-N 302.377 1.182 5 40 DDBB CCCN1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 58306932 VOYIDKLFYGNAMX-UHFFFAOYSA-N 321.377 1.964 5 40 DDBB Cc1c(NC(=O)COC(=O)C2=COCCO2)cccc1[N+](=O)[O-] 3468073 YNDQYEDGSJHUJO-UHFFFAOYSA-N 322.273 1.273 5 40 DDBB CC(C)c1ccc(CN2CCN3C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 91864816 XIRNKGUHHWSEOB-ZDUSSCGKSA-N 318.377 1.928 5 40 DDBB Cc1cc([N+](=O)[O-])cnc1N1CCN(C2=NC[C@@H](C)S2)CC1 96453744 CILPCEBTFNQQIU-LLVKDONJSA-N 321.406 1.912 5 40 DDBB NC(=O)COc1cc([N+](=O)[O-])ccc1I 97102844 UVUCJCUSYFQADI-UHFFFAOYSA-N 322.058 1.064 5 40 DDBB O=C(C[C@H]1CCCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 47090151 NQEPJWOVCBLHHO-CYBMUJFWSA-N 320.349 1.208 5 40 DDBB Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N2 13691321 XSKSCZRVSOFUGN-JTQLQIEISA-N 316.277 1.017 5 40 DDBB O=[N+]([O-])c1cccc(OC[C@@H](O)CSc2ncccn2)c1 14202096 SUWVOMLHIJAASF-LLVKDONJSA-N 307.331 1.917 5 40 DDBB O=[N+]([O-])c1ccc(OCc2nc3c4cn[nH]c4ncn3n2)cc1 17032226 MZSHJWARTOETRF-UHFFFAOYSA-N 311.261 1.488 5 40 DDBB COc1cc(CCNC(=O)c2c([N+](=O)[O-])cnn2C)ccc1F 97033703 MLENARKFRZZERU-UHFFFAOYSA-N 322.296 1.449 5 40 DDBB Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC(=O)N(CC(F)(F)F)C1 75142987 URAZIWDNYHOBNY-MRVPVSSYSA-N 318.255 1.873 5 40 DDBB CCOC(=O)C1CCN(C(=N)Nc2ccc([N+](=O)[O-])cn2)CC1 225237971 WJSKBBJWNLGBJT-UHFFFAOYSA-N 321.337 1.612 5 40 DDBB CC1=NN(C(=O)C(F)(F)F)[C@](O)(c2cccc([N+](=O)[O-])c2)C1 301914 RWOOLULWEDILJC-LLVKDONJSA-N 317.223 1.910 5 40 DDBB COC(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1 3351098 DWWQPHGKLRAJCW-ZETCQYMHSA-N 302.308 1.212 5 40 DDBB CC(C)N1C(=O)CN(CCn2cc([N+](=O)[O-])cn2)CC1(C)C 95963086 MCLWDMUXNCULPB-UHFFFAOYSA-N 309.370 1.123 5 40 DDBB O=C(COc1cccnc1[N+](=O)[O-])NCCc1ccccc1 12533213 XOCRHMVHEWYMTM-UHFFFAOYSA-N 301.302 1.728 5 40 DDBB CC(=O)Nc1cc(N2CCC[C@H](CO)C2)c(F)cc1[N+](=O)[O-] 12539406 FOAHJHXKGOPVBA-JTQLQIEISA-N 311.313 1.901 5 40 DDBB CC(=O)c1ccc(N2CCCN(C(N)=O)CC2)c([N+](=O)[O-])c1 60363047 IHXOWRJRHPPPKF-UHFFFAOYSA-N 306.322 1.388 5 40 DDBB CCn1ncc(CN(C)C(=O)Cn2cc([N+](=O)[O-])c(C)n2)c1C 2777769 BBMZXBVHZYOVAJ-UHFFFAOYSA-N 320.353 1.283 5 40 DDBB N=c1ccc2c(nc3ccccc3[n+]2[O-])n1Cc1ccncc1 100052799 SSUUSOSARAGSNX-UHFFFAOYSA-N 303.325 1.746 5 40 DDBB CO[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@H](CN)C1 195557582 CPPRCOJDIZYHLY-UONOGXRCSA-N 307.350 1.482 5 40 DDBB COC(=O)c1ccc(S(=O)(=O)N2CCCC2)c([N+](=O)[O-])c1 32770516 KGOHJQFSDDNZOX-UHFFFAOYSA-N 314.319 1.166 5 40 DDBB Cc1ccc(OCC(=O)N2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])n1 12486347 YQEFTPLHTBWGHM-PHIMTYICSA-N 309.322 1.313 5 40 DDBB C[C@H](Sc1nncn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 7813909 NHJWBXDEHROIEM-QMMMGPOBSA-N 307.335 1.843 5 40 DDBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2cncn2)c([N+](=O)[O-])c1 95351524 UOBLZRBDPWWLEL-LLVKDONJSA-N 318.293 1.764 5 40 DDBB CCc1nc(Cn2cc(Br)c([N+](=O)[O-])n2)n[nH]1 195568306 BYBPNPCJTUHTBH-UHFFFAOYSA-N 301.104 1.283 5 40 DDBB CCOCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 10272138 XMONMWPMJBFONR-UHFFFAOYSA-N 307.258 1.895 5 40 DDBB biogenic O=C1NC(=O)[C@](Cc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 1682384 KGKUFCKQTLRMCX-INIZCTEOSA-N 311.297 1.872 5 40 DDBB COc1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1O 9010355 CMQVRIGGZWFQOV-HYXAFXHYSA-N 305.246 1.268 5 40 DDBB CC(C)CCNC(=O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 15511919 XWEMJXURJXHKKB-VMPITWQZSA-N 319.361 1.887 5 40 DDBB CCN(CC)C(=O)Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1 422695 DUZUTLYGICDESS-UHFFFAOYSA-N 304.310 1.117 5 40 DDBB Nc1nc(N2CCCC2)nc(N2CCCCCC2)c1[N+](=O)[O-] 5156962 WLOOYZROPUMECS-UHFFFAOYSA-N 306.370 1.948 5 40 DDBB Cc1cc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)n[nH]1 97109264 POXAKIMUQQDEMD-QMMMGPOBSA-N 304.306 1.693 5 40 DDBB CCOC(=O)CN1CCO[C@H](COc2ccccc2[N+](=O)[O-])C1 217499928 NHXXXOGOPSXPGJ-LBPRGKRZSA-N 324.333 1.238 5 40 DDBB COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 275485643 XZDWLBZRQNWLJE-OAHLLOKOSA-N 322.317 1.771 5 40 DDBB CCOC(=O)COc1nc(Br)ccc1[N+](=O)[O-] 725327810 QJTFCDJBMBFKBQ-UHFFFAOYSA-N 305.084 1.694 5 40 DDBB CN(C)C(=O)c1ccc([N+](=O)[O-])cc1I 69439731 WQXDJPDLCPIQQC-UHFFFAOYSA-N 320.086 1.901 5 40 DDBB CS(=O)(=O)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 10012429 ZRKGNSVLESKVOK-UHFFFAOYSA-N 319.770 1.330 5 40 DDBB Cc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1[N+](=O)[O-] 24994795 SEUIFAIPOJHCCA-UHFFFAOYSA-N 306.318 1.882 5 40 DDBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](CO)C2)c1 34872103 YLNLAQGNNSAXFK-JSGCOSHPSA-N 310.350 1.039 5 40 DDBB CCOC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 6599565 UZWRIBAWYHQMRF-UHFFFAOYSA-N 321.249 1.569 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]2CCCC[C@@H]2C1 7020427 KQAVBIDOYUHKCJ-QWHCGFSZSA-N 319.361 1.795 5 40 DDBB O=C(Cn1cccc([N+](=O)[O-])c1=O)c1ccc2c(c1)OCO2 65488247 FKWZMJCIGDGBPE-UHFFFAOYSA-N 302.242 1.368 5 40 DDBB O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)c2ccncc12 69652939 CJCNKAYPTVHKEH-UHFFFAOYSA-N 316.361 1.647 5 40 DDBB COC1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 79998760 PNNLZYTVCBQOEV-UHFFFAOYSA-N 321.377 1.364 5 40 DDBB O=[N+]([O-])c1cnn(Cc2nnnn2-c2ccccc2Cl)c1 96193754 NFKFVHPOQOTXGK-UHFFFAOYSA-N 305.685 1.469 5 40 DDBB COc1cccc(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)c1 8318887 OSXATWGTHZVKJU-UHFFFAOYSA-N 317.349 1.664 5 40 DDBB C[C@H]1CN(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 21841441 QZRLDIGOLDSKGT-UWVGGRQHSA-N 311.313 1.782 5 40 DDBB Cn1nnnc1Sc1ccc([N+](=O)[O-])c(OC(F)F)c1 92581898 SUDPMWWLPHXVPG-UHFFFAOYSA-N 303.250 1.871 5 40 DDBB COC(=O)Cn1sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2c1=O 3672441 JOHWNCWOHRPLAC-UHFFFAOYSA-N 313.247 1.052 5 40 DDBB CCn1nccc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 20602136 CDIONFDYUYLIIX-UHFFFAOYSA-N 324.362 1.632 5 40 DDBB C[C@H]([C@@H](O)c1cc(=O)c(OCc2ccccc2)co1)[N+](=O)[O-] 480941 ZBINPMGAVPHASE-MEBBXXQBSA-N 305.286 1.917 5 40 DDBB CCOC1(OCC)CS(=O)(=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 1713416 GXNJEKSQCKONQD-GFCCVEGCSA-N 315.347 1.834 5 40 DDBB O=C(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1 100287133 QHALMFNTHCKQBH-UHFFFAOYSA-N 310.222 1.647 5 40 DDBB O=C(Cn1ccnc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 10809843 FRJBLMXZPMNHNU-UHFFFAOYSA-N 315.333 1.140 5 40 DDBB CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccccc1[N+](=O)[O-] 54670981 VPYHJTQSFWBKOV-LBPRGKRZSA-N 307.306 1.171 5 40 DDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 12907250 XEOPVXKVBRQTEH-AOOOYVTPSA-N 314.363 1.701 5 40 DDBB Cc1nn(C)c(N2CCC[C@@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] 97086186 LXFWSKIXNCUSDV-LLVKDONJSA-N 310.354 1.616 5 40 DDBB C[S@](=O)CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 76023455 WTGGBJNUPAPJKL-OAQYLSRUSA-N 315.370 1.234 5 40 DDBB Cc1nc2n(n1)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 14164347 XNRIAELZUKQDJN-JTQLQIEISA-N 316.277 1.017 5 40 DDBB CC(=O)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 65712649 KCVRJLCJNBXMST-UHFFFAOYSA-N 302.290 1.941 5 40 DDBB O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCCc3ccccc32)c1 81156957 QRQXZXDZVXSUBX-HNNXBMFYSA-N 316.361 1.995 5 40 DDBB O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 73032730 YWGDTDSOHPHFAQ-HNNXBMFYSA-N 300.314 1.987 5 40 DDBB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 10255691 OUKFUILIEVCTNR-AWEZNQCLSA-N 311.297 1.652 5 40 DDBB Cc1ccc(NC(=O)NCc2nnc3n2CCC3)cc1[N+](=O)[O-] 43148040 YJWCXGRSSFNHNS-UHFFFAOYSA-N 316.321 1.763 5 40 DDBB C[N+]1([O-])[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 100379436 HGWPFSBHDACWNL-HUFPOMCJSA-N 305.374 1.944 5 40 DDBB Cc1cccc(C(=O)NCc2nnc3n2CCC3)c1[N+](=O)[O-] 12890456 VQMPWFWPHNAKFW-UHFFFAOYSA-N 301.306 1.371 5 40 DDBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1 84502363 SXJXZSBACBEXGJ-AWEZNQCLSA-N 319.361 1.070 5 40 DDBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NCC(F)(F)F 3321478 PTJSUDMEPXSXQZ-UHFFFAOYSA-N 306.196 1.430 5 40 DDBB CCN(CC)CCNc1nc2ccc([N+](=O)[O-])cc2[n+](=O)[nH]1 104281437 SFHWDRHZWLJHEF-UHFFFAOYSA-N 307.334 1.139 5 40 DDBB CC(=O)N1CCC(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)CC1 25253619 LNIGXEGRQAIPKZ-UHFFFAOYSA-N 319.361 1.812 5 40 DDBB CC1=C(C(=O)N(C)C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 5523332 KWIBXNWOWJQOMI-LBPRGKRZSA-N 304.306 1.311 5 40 DDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 2478529 LPJNBUUGOGAAKR-FNFFVJSTSA-N 316.269 1.046 5 40 DDBB O=c1nc2n(CCc3ccccc3)c3ccccc3nc-2c(=O)[nH]1 8782706 KGIJKMUPWGAMNT-UHFFFAOYSA-N 318.336 1.827 5 40 DDBB CCCNC(=O)[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C 40526356 LMJNFAVKUUSJBM-JTQLQIEISA-N 308.338 1.939 5 40 DDBB C[C@@H]1CN=C(N2CCN(c3ncccc3[N+](=O)[O-])CC2)S1 96424090 APLYUNIEHGAZRR-SNVBAGLBSA-N 307.379 1.603 5 40 DDBB CCN1CCOC(=O)[C@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C 54670995 BIWXUHHLGJZFTC-CYBMUJFWSA-N 321.333 1.479 5 40 DDBB C[C@H]1C[C@@H]1COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 58308917 APSRSNWYZIMRSK-GXSJLCMTSA-N 302.290 1.988 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])cnc1Oc1ccc([N+](=O)[O-])cc1 48253694 ZHIQHNRQAZWVME-UHFFFAOYSA-N 304.218 1.789 5 40 DDBB COCCN1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 69394499 QIXMQCFDKOZNOH-AWEZNQCLSA-N 322.365 1.827 5 40 DDBB CS(=O)(=O)c1ccc(NCC2(O)CCC2)c([N+](=O)[O-])c1 69619754 ONTUUJZJNMPULG-UHFFFAOYSA-N 300.336 1.325 5 40 DDBB CCOC(=O)C1=C(C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 339985 JVSSBHTYSMQLHX-LLVKDONJSA-N 305.290 1.786 5 40 DDBB Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2c(c1)OCO2 780606 OLZZQZGADPWSKG-UHFFFAOYSA-N 304.262 1.467 5 40 DDBB O=[N+]([O-])c1cc(NCCO)c(N2CCCCCC2)c2nonc12 4371229 XIHTXJYAPZPOON-UHFFFAOYSA-N 321.337 1.916 5 40 DDBB Cc1nc(CN2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)n[nH]1 95460569 XRTPHSQCCFMIHY-UHFFFAOYSA-N 317.353 1.047 5 40 DDBB CC1CCN(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 69327184 UPTGQHUBKLIELF-UHFFFAOYSA-N 306.366 1.838 5 40 DDBB C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 70173612 ULXDDFPSOYJUID-MNOVXSKESA-N 313.379 1.343 5 40 DDBB Cc1cc(N2CCN([C@H]3CCCN(C)C3)CC2)ncc1[N+](=O)[O-] 74763629 NGPYHODIHMJMGB-AWEZNQCLSA-N 319.409 1.514 5 40 DDBB O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccccc1[N+](=O)[O-] 4317484 XWLSOOABCCZCOU-UHFFFAOYSA-N 324.296 1.761 5 40 DDBB CC(=O)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 7523135 RIOQHZGIYXQFDG-UHFFFAOYSA-N 308.363 1.456 5 40 DDBB COC[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 30494113 JXGNMBJRCKJOJR-VIFPVBQESA-N 302.352 1.525 5 40 DDBB COc1cc(N2CCN(C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] 96453195 SIHGKGLCWBDIHS-AWEZNQCLSA-N 321.377 1.904 5 40 DDBB Cc1cnc(N2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)s1 75103562 GYMTZPYRDKRDGD-UHFFFAOYSA-N 322.394 1.728 5 40 DDBB O=[N+]([O-])c1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3)n2)c1 15676024 BWPVYZGNVJIYDV-NSHDSACASA-N 312.289 1.755 5 40 DDBB biogenic,in-vitro O=c1ccc2ccc(OCCn3cnc([N+](=O)[O-])n3)cc2o1 33801 ZZELTMUPPBGIKZ-UHFFFAOYSA-N 302.246 1.372 5 40 DDBB O=c1[nH]cnc2cc(NCCCn3ccnc3)c([N+](=O)[O-])cc12 95469612 FAMKESWSQVCTHL-UHFFFAOYSA-N 314.305 1.530 5 40 DDBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC(=O)N1 72283688 OZCLURFWYQNUFH-VHSXEESVSA-N 323.374 1.470 5 40 DDBB COc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1 330032702 RGVWUCVEHWNPDV-UHFFFAOYSA-N 324.318 1.503 5 40 DDBB Cc1ncsc1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 96480957 DCYFURQQIDYFAX-UHFFFAOYSA-N 310.339 1.056 5 40 DDBB CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCc2ccccc21 48317796 IBTSKWIMCWDGTB-LBPRGKRZSA-N 301.306 1.332 5 40 DDBB C[C@H]1CC[C@@H](C(N)=O)CN1CCOc1ccccc1[N+](=O)[O-] 69617150 NWPKJPDCRKWPNX-NWDGAFQWSA-N 307.350 1.559 5 40 DDBB C[C@H]1CN(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 36613016 UYOHAZXKVJSVJY-SDDRHHMPSA-N 308.334 1.998 5 40 DDBB CO[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H](CN)C1 195557571 CPPRCOJDIZYHLY-ZIAGYGMSSA-N 307.350 1.482 5 40 DDBB CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 3893548 ZNVSPVULONZAOG-VIFPVBQESA-N 315.307 1.126 5 40 DDBB Cc1nn(CCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1[N+](=O)[O-] 2776917 HIARTZWIZXXOSR-NXEZZACHSA-N 310.354 1.434 5 40 DDBB Cc1nc2ncc3c(=O)n(-c4ccccc4[N+](=O)[O-])ccc3n2n1 22608996 YBERWDGRWHCOCX-UHFFFAOYSA-N 322.284 1.645 5 40 DDBB Cc1nc(N2CCOCC2)nc(N2CCC(C)CC2)c1[N+](=O)[O-] 4170763 ZEPACJNGJQFXLN-UHFFFAOYSA-N 321.381 1.766 5 40 DDBB CNC(=O)CCNCc1cc([N+](=O)[O-])ccc1N1CCCC1 69813584 MFOHYQPDTJVGNC-UHFFFAOYSA-N 306.366 1.421 5 40 DDBB Cc1cc(C(=O)N2CCC(n3ccnn3)CC2)cc([N+](=O)[O-])c1 96487028 GDNQLZZYTAXCBR-UHFFFAOYSA-N 315.333 1.972 5 40 DDBB Cc1nc(C)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(=O)[nH]1 19937504 HVQQHUBBFHVBNN-UHFFFAOYSA-N 316.317 1.785 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cccnc1 10327906 XKBXDFXQCAKKJB-UHFFFAOYSA-N 314.301 1.553 5 40 DDBB Cc1nc(Sc2ncccc2[N+](=O)[O-])sc1CC(N)=O 45650785 LHMHFTZGKCLACK-UHFFFAOYSA-N 310.360 1.934 5 40 DDBB NNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCCC2)n1 6276596 SIWMAUAXHZIVEY-UHFFFAOYSA-N 316.325 1.409 5 40 DDBB Cc1[nH]nc(C(=O)N[C@@H]2CCc3ccccc3C2)c1[N+](=O)[O-] 69874421 SEDWNZSMUDJDNS-GFCCVEGCSA-N 300.318 1.914 5 40 DDBB CO[C@]1(C)C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C 73267425 HTZYREMUUNSCIO-SMDDNHRTSA-N 310.354 1.501 5 40 DDBB CCCNC(=O)[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C 40526355 LMJNFAVKUUSJBM-SNVBAGLBSA-N 308.338 1.939 5 40 DDBB CCCc1[nH]nc(C(=O)N[C@H](C)c2nc(C)no2)c1[N+](=O)[O-] 78775169 RUWIVWYHZDDUTL-ZCFIWIBFSA-N 308.298 1.453 5 40 DDBB O=C(O)c1nn(-c2cccc(C(F)(F)F)c2)nc1[N+](=O)[O-] 89263461 FUOBCNBYVGHUGP-UHFFFAOYSA-N 302.168 1.893 5 40 DDBB Cn1nc([N+](=O)[O-])nc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 97965965 JDSZJVPEAXBXGC-UHFFFAOYSA-N 310.182 1.332 5 40 DDBB O=[N+]([O-])c1c(N2CCC[C@H](c3nc[nH]n3)C2)nc2sccn12 96452902 KQMSURGPIHGFPS-QMMMGPOBSA-N 319.350 1.806 5 40 DDBB C[C@@](O)(CNc1ccc(F)cc1[N+](=O)[O-])CN1CCOCC1 96429650 RWWAOEKZTSOSLT-CQSZACIVSA-N 313.329 1.229 5 40 DDBB NC(=O)C1(NCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 88545082 UPCRVXADGIYRTK-UHFFFAOYSA-N 307.350 1.751 5 40 DDBB COc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] 28090796 UXDMBRCTVQGAMC-UHFFFAOYSA-N 322.317 1.583 5 40 DDBB C[C@H](Sc1nnc(Cc2ccc([N+](=O)[O-])cc2)o1)C(N)=O 4890820 XGRIGLRJYVRMRR-ZETCQYMHSA-N 308.319 1.535 5 40 DDBB O=C(Nc1cccc(CN2CCSCC2)c1)[C@H]1C[C@@H]1[N+](=O)[O-] 84374368 NRJWMKJXYJEZJA-KBPBESRZSA-N 321.402 1.839 5 40 DDBB CCN1CCOC(=O)[C@H]1CC(=O)Nc1ccccc1[N+](=O)[O-] 54670983 VPYHJTQSFWBKOV-GFCCVEGCSA-N 307.306 1.171 5 40 DDBB O=C(c1cnccn1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48305826 BQBQRXXZYCRZQL-UHFFFAOYSA-N 313.317 1.347 5 40 DDBB CC1(C)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 14171115 JPJCAKSBFUQVOC-UHFFFAOYSA-N 321.289 1.292 5 40 DDBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c(F)cccc21 302129250 AQMQAGVWCGCJMX-UHFFFAOYSA-N 302.265 1.922 5 40 DDBB CCOC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc23)C1 4698460 XEDJVNFXFCOYKM-SECBINFHSA-N 320.305 1.911 5 40 DDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccnc1 30493651 CFQPYEBXOZOWEI-UHFFFAOYSA-N 323.330 1.477 5 40 DDBB C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 69061948 JMNBRPFGUIUVEQ-BXUZGUMPSA-N 323.349 1.840 5 40 DDBB O=C(NN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 7881707 XENZWYIUMBCYEJ-RYUDHWBXSA-N 315.285 1.191 5 40 DDBB Cc1c(NC(=O)CCN(C)CC(=O)N(C)C)cccc1[N+](=O)[O-] 41894336 RGIWEUASFPLNIA-UHFFFAOYSA-N 322.365 1.252 5 40 DDBB COc1ccc2nc3sc4nnc(OC)n4c(=N)c3cc2c1 101409679 ZTWVFJCWNRISHH-UHFFFAOYSA-N 313.342 1.989 5 40 DDBB O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCc2ccccc21 48355086 PAXDHTRQFHKSMR-LBPRGKRZSA-N 301.306 1.380 5 40 DDBB CC(C)CNC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 4412109 AWKJTPNANHAMLZ-UHFFFAOYSA-N 304.306 1.077 5 40 DDBB O=C(NCCn1cc([N+](=O)[O-])ccc1=O)OCC(F)(F)F 65565004 BPBRURGZBMIXPD-UHFFFAOYSA-N 309.200 1.045 5 40 DDBB CCS(=O)(=O)c1ccc(N2CCCNCC2)c([N+](=O)[O-])c1 15443149 WBIKSUWFRNIJNN-UHFFFAOYSA-N 313.379 1.188 5 40 DDBB O=C([C@H]1CCCN1c1ccccc1[N+](=O)[O-])N1CCOCC1 71904081 YPJDNKHFXVAVLZ-CQSZACIVSA-N 305.334 1.422 5 40 DDBB CCOC(=O)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] 75105087 VKNVPXGMEFFUKI-UHFFFAOYSA-N 300.698 1.931 5 40 DDBB CCN1C(=O)N/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 409228542 BJAVJYNJPCQMKS-XBXARRHUSA-N 307.262 1.222 5 40 DDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1(CN)CCCC1 95394518 QHAWUWHUSYJNPP-UHFFFAOYSA-N 313.379 1.453 5 40 DDBB Cc1c(NC(=O)CCN2CCC(O)CC2)cccc1[N+](=O)[O-] 26228008 ZPERUJLERBQFFA-UHFFFAOYSA-N 307.350 1.689 5 40 DDBB CCC1(CC)[C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1OC 95423443 LUENDJLRFYSKFP-GHMZBOCLSA-N 324.381 1.960 5 40 DDBB Cc1nnc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)s1 3666275 QIXWOKFSEDBHIM-UHFFFAOYSA-N 323.359 1.882 5 40 DDBB O=[N+]([O-])c1cnn(C[C@H](O)Cn2cnc3cc(F)c(F)cc32)c1 76081936 VRKYTEXGAWTTMB-SECBINFHSA-N 323.259 1.480 5 40 DDBB CNC(=O)c1ccc(N(C)[C@H](C)C[S@@](C)=O)c([N+](=O)[O-])c1 96011444 YXEIVYFULDGAEL-BTKVJGODSA-N 313.379 1.158 5 40 DDBB CN(C)C[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 69593824 RTGRCDKXSUBQHM-CQSZACIVSA-N 321.377 1.916 5 40 DDBB Cc1noc(CN2CCN(c3sc([N+](=O)[O-])cc3C)CC2)n1 69920985 SJGZDCSEOAZOQB-UHFFFAOYSA-N 323.378 1.978 5 40 DDBB COc1cc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc(OC)c1 72332098 POVZJABJQMGLTD-UHFFFAOYSA-N 320.305 1.756 5 40 DDBB O=C(/C=C/c1ccccc1[N+](=O)[O-])O[C@@H]1CCS(=O)(=O)C1 78290099 ZZOOLJLNPKYGFJ-MVIFTORASA-N 311.315 1.338 5 40 DDBB CCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cn1 24577107 NOHQGOSZTHRFIT-UHFFFAOYSA-N 310.335 1.920 5 40 DDBB C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 4832551 WGQIDENZQJCDIA-FUTJPDQTSA-N 300.270 1.428 5 40 DDBB CCN1CCOC(=O)[C@@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C 54670993 BIWXUHHLGJZFTC-ZDUSSCGKSA-N 321.333 1.479 5 40 DDBB CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)O[C@@H](C)C2)n1 4306249 XGVDUGULJHGURI-UWVGGRQHSA-N 324.385 1.427 5 40 DDBB COCCN1CC[C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])C1 69483722 NFCNLJRXLZYXMB-CYBMUJFWSA-N 321.377 1.601 5 40 DDBB CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C)n[nH]1 96446834 GULYHWPNIWHGGS-GFCCVEGCSA-N 303.322 1.831 5 40 DDBB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1C[C@@H]1[N+](=O)[O-] 52992341 HWEIUQRIXPKKRB-KGLIPLIRSA-N 323.393 1.339 5 40 DDBB COC(=O)[C@@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 11225346 ORQXOBSJXMKGOQ-MRVPVSSYSA-N 308.290 1.887 5 40 DDBB Nc1nc(N2CCC[C@@H]2CN2CCCCC2)ncc1[N+](=O)[O-] 160431451 OYGJMSUQYZFRPL-LLVKDONJSA-N 306.370 1.422 5 40 DDBB O=[N+]([O-])c1cccc2c(N3CCN(CCO)CC3)ccnc12 4593411 WSMLSTRSZOAEBK-UHFFFAOYSA-N 302.334 1.257 5 40 DDBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(c2ccccc2Cl)CC1 47271806 CTFQIHNNPMCQJZ-MFKMUULPSA-N 309.753 1.654 5 40 DDBB Cc1nonc1OCCNCCNc1ccccc1[N+](=O)[O-] 4687279 BLKKBTRIZZEWLJ-UHFFFAOYSA-N 307.310 1.367 5 40 DDBB O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C1 68029430 GLBHYCZAOCSYMW-XBFCOCLRSA-N 323.393 1.339 5 40 DDBB O=[N+]([O-])c1cccc([S@@](=O)(=S)NCc2ccccn2)c1 100453278 XDPCGYHVHWPBRT-HXUWFJFHSA-N 309.372 1.800 5 40 DDBB O=C(O)Cn1c2ccc([N+](=O)[O-])cc2c(=O)n1-c1ccccc1 67341860 RNFPDFWZTTUMRP-UHFFFAOYSA-N 313.269 1.785 5 40 DDBB Cc1ccc(NC(=O)C[C@H](NC(C)C)C(=O)O)c([N+](=O)[O-])c1 39880956 LENNWHXIRQDDDL-NSHDSACASA-N 309.322 1.683 5 40 DDBB NC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 96427355 IXHYYLWWTOYCQQ-ZETCQYMHSA-N 314.139 1.669 5 40 DDBB Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 2030191 DMICXPOKQAPOFK-UHFFFAOYSA-N 309.263 1.915 5 40 DDBB Cc1c(C(=O)OCC(=O)NC[C@H]2CCCO2)cccc1[N+](=O)[O-] 3224808 LDKQMLQIVWXKTK-LLVKDONJSA-N 322.317 1.355 5 40 DDBB O=[N+]([O-])c1ncn(-c2ccc3nnc(-c4ccccc4)n3n2)n1 84569263 TZFDEONHBJIBRJ-UHFFFAOYSA-N 308.261 1.280 5 40 DDBB Cc1nc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)no1 95438567 JNQVRTKIUKJNPY-UHFFFAOYSA-N 303.234 1.151 5 40 DDBB CC[C@@H](C)NS(=O)(=O)CCn1nc(C)c([N+](=O)[O-])c1C 14020620 VMSJMRSEZZWENF-MRVPVSSYSA-N 304.372 1.126 5 40 DDBB CC(C)NC(=O)CN1CCCN(c2ccccc2[N+](=O)[O-])CC1 32777829 QUMHAPKOJDETOM-UHFFFAOYSA-N 320.393 1.632 5 40 DDBB COC(=O)[C@H](C)CN(C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 32928177 WTUFEUZVZUMVMR-SECBINFHSA-N 310.306 1.485 5 40 DDBB CCCNC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 3471312 NVUOWRMDEKMRDF-UHFFFAOYSA-N 300.698 1.931 5 40 DDBB O=[N+]([O-])c1cccc([C@H](O)Cn2nnc(-c3cccnc3)n2)c1 95432542 AMYLYMISIFIPAR-CYBMUJFWSA-N 312.289 1.377 5 40 DDBB Cc1cc(C)c(NC(=O)C[C@H]2SC(=N)NC2=O)c([N+](=O)[O-])c1 18122570 COCWWSBTSVHSHT-SECBINFHSA-N 322.346 1.707 5 40 DDBB CN(C)c1ccc(COC(=O)c2ccnn2C)cc1[N+](=O)[O-] 97086506 QOXJZKNMEQNJDX-UHFFFAOYSA-N 304.306 1.751 5 40 DDBB O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2c(O)cccc21 72277944 WJSDZAITAZTIEX-CYBMUJFWSA-N 316.317 1.691 5 40 DDBB CCCN1C(=O)N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 409225797 LFBRSFQQRPDXKD-WTKPLQERSA-N 319.273 1.626 5 40 DDBB Cc1nc(C)c(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)[nH]1 19937463 DZTSMMKRVOTRJA-UHFFFAOYSA-N 302.290 1.476 5 40 DDBB O=C(NN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 105090446 XENZWYIUMBCYEJ-VXGBXAGGSA-N 315.285 1.191 5 40 DDBB COc1ccccc1Nc1nc(N(C)C)nc(N)c1[N+](=O)[O-] 4306390 LEIQVTFKDYHGCQ-UHFFFAOYSA-N 304.310 1.785 5 40 DDBB O=C(NCc1nnnn1C1CC1)c1cc([N+](=O)[O-])ccc1Cl 75201398 ACOOXFYEZXLFBG-UHFFFAOYSA-N 322.712 1.500 5 40 DDBB O=[N+]([O-])c1cnn(-c2nc(O)c3cnn(-c4ccccc4)c3n2)c1 78990212 NRWHOXUVEBMQNR-UHFFFAOYSA-N 323.272 1.615 5 40 DDBB Cn1cnnc1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 97139603 FYQPFPBAVIKQML-UHFFFAOYSA-N 316.726 1.351 5 40 DDBB O=[N+]([O-])c1cc2c(c(COc3cccc[n+]3[O-])c1)OCOC2 8223879 QOAXUKGZCBTFLH-UHFFFAOYSA-N 304.258 1.674 5 40 DDBB COC(=O)c1cc(Cl)c(N2CCN(C)CC2)c([N+](=O)[O-])c1 70462664 IQDWIUPGORULSH-UHFFFAOYSA-N 313.741 1.787 5 40 DDBB COc1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c1 3312900 GGEUCYXTQRTHJS-UHFFFAOYSA-N 320.257 1.992 5 40 DDBB Cc1cccc(Nc2nc(NCCO)nc(N)c2[N+](=O)[O-])c1 5054813 LLPVSSHNHXRHIG-UHFFFAOYSA-N 304.310 1.423 5 40 DDBB O=c1c([N+](=O)[O-])cc(Br)cn1CCn1cccn1 97032333 HMXXTPGALXTEKW-UHFFFAOYSA-N 313.111 1.416 5 40 DDBB CCC(CC)(CN)NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 124069396 GJCRHQQGABYEHQ-UHFFFAOYSA-N 315.395 1.699 5 40 DDBB O=[N+]([O-])c1cc(F)c(NC(CO)CO)c(Br)c1 96429733 PYUZUUMANWMEDM-UHFFFAOYSA-N 309.091 1.262 5 40 DDBB O=c1ccc(C(F)(F)F)nn1CCn1ccc([N+](=O)[O-])n1 95437159 ULKSDHGJIHWGBR-UHFFFAOYSA-N 303.200 1.067 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCCO1 24432917 NOUVPXLCGOQCMM-GFCCVEGCSA-N 314.363 1.751 5 40 DDBB CCN(C[C@H](O)c1cccc(O)c1)c1ncc([N+](=O)[O-])c(N)n1 71285213 OTTOJHQCFAMZLF-LBPRGKRZSA-N 319.321 1.233 5 40 DDBB Nc1ccc2nc3c(=O)n(Cc4ccccc4)c(O)nc3nc2c1 8997696 IAKBSNDVBJFVLA-UHFFFAOYSA-N 319.324 1.676 5 40 DDBB O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccccn2)c1 133931438 AUCXADLFPSSDKY-UHFFFAOYSA-N 307.331 1.609 5 40 DDBB CC(=O)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 40526360 ANKJFUUYMNYGPE-UHFFFAOYSA-N 306.322 1.599 5 40 DDBB CC(C)(CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCOCC1 33026750 ZBCBEJIUIINWTD-UHFFFAOYSA-N 321.377 1.364 5 40 DDBB Cn1nccc1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] 91428193 FTPDEHDUWPXHAH-UHFFFAOYSA-N 315.333 1.833 5 40 DDBB CCS(=O)(=O)NCCNc1ccc([N+](=O)[O-])c2cccnc12 69533092 YBYPNVLUFKOYNX-UHFFFAOYSA-N 324.362 1.494 5 40 DDBB CC(=O)c1ccc(N2CC(CN3CCOCC3)C2)c([N+](=O)[O-])c1 521394439 CRLGSLUMHSLOMN-UHFFFAOYSA-N 319.361 1.566 5 40 DDBB COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@H](C2)[N+](C)(C)CC[C@]314 217514010 MLIBORQWQWVNCO-IEVKOWOJSA-N 314.405 1.646 5 40 DDBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(O)nn1 390833958 PITXBECGFBXHKB-UHFFFAOYSA-N 310.291 1.200 5 40 DDBB Cc1ccc(C(=O)C[C@@H](C(=O)O)n2cnc([N+](=O)[O-])n2)cc1 818198 OEANJVRCXHQERV-JTQLQIEISA-N 304.262 1.393 5 40 DDBB CC(=O)Nc1nc(COC(=O)c2ccc([N+](=O)[O-])o2)cs1 24904420 OBIHMPCMEBFQCU-UHFFFAOYSA-N 311.275 1.960 5 40 DDBB CCCCCC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 38316846 DYULYTNPXCNIOC-ZFWWWQNUSA-N 310.350 1.686 5 40 DDBB CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CCO)CC1 65605955 IAKRKOIQYBZMKT-UHFFFAOYSA-N 323.393 1.492 5 40 DDBB CSc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] 6628340 KHOLPCLLIBLAII-UHFFFAOYSA-N 323.374 1.621 5 40 DDBB Cc1nn(C)c(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-] 5677811 PPRYOKVHSSUPLB-UHFFFAOYSA-N 300.318 1.835 5 40 DDBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc[n+]([O-])cc1 40465423 GJBXBARZKWTHNY-UHFFFAOYSA-N 302.290 1.070 5 40 DDBB O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)C(F)(F)F)CC2)cc1 20405379 PKYYLZODOGXZMK-LBPRGKRZSA-N 319.283 1.640 5 40 DDBB O=C(Cn1ccc2c([N+](=O)[O-])cccc21)NCCc1c[nH]cn1 96118777 YRZFIPMVIGBJNN-UHFFFAOYSA-N 313.317 1.632 5 40 DDBB Nc1nc(NC[C@H]2CCc3ccccc3N2)ncc1[N+](=O)[O-] 69533915 XLFJMROZACKVTF-SNVBAGLBSA-N 300.322 1.806 5 40 DDBB Cc1cc(N2CCN(CCO)CC2)c2cc([N+](=O)[O-])ccc2n1 97083747 WXCAYEMJVSNJOK-UHFFFAOYSA-N 316.361 1.566 5 40 DDBB Cc1nc(NC[C@H]2CCCO2)nc(N2CCOCC2)c1[N+](=O)[O-] 49025936 AZZYISXSKXDPAD-LLVKDONJSA-N 323.353 1.121 5 40 DDBB CCN1CCC[C@@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 53577181 PBRCPGALOKQNAG-GFCCVEGCSA-N 306.366 1.851 5 40 DDBB Cc1nc(CN2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cs1 22102175 PPVXYYGTHSBTLF-UHFFFAOYSA-N 322.394 1.415 5 40 DDBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccco1 3312887 IKVIOYOUYBVPDA-UHFFFAOYSA-N 304.258 1.661 5 40 DDBB CCCCNC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 8342980 CUXXKCGKHISMCS-UHFFFAOYSA-N 304.306 1.221 5 40 DDBB O=C(NCCO)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408974742 CZHHBKYWDCZGRI-UHFFFAOYSA-N 306.325 1.986 5 40 DDBB CN(C)c1noc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])n1 193888010 OMVZMFOOBOMZBF-UHFFFAOYSA-N 309.257 1.113 5 40 DDBB CCCC[N+](C)(C)CCCOC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 5352087 BOWFDXSUABGSFT-JKJDWNRSSA-N 324.441 1.994 5 40 DDBB O=C(c1ccc([N+](=O)[O-])o1)N1CCCN(C[C@@H]2CCCO2)CC1 47633010 NBJFFDBPROBEAA-LBPRGKRZSA-N 323.349 1.515 5 40 DDBB Cc1ccc(OCC(=O)N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 24732934 WBSATVJORSYDBL-UHFFFAOYSA-N 321.333 1.006 5 40 DDBB CN(C)C(=O)c1cc([N+](=O)[O-])ccc1I 33224755 UACHFASXBIVCSL-UHFFFAOYSA-N 320.086 1.901 5 40 DDBB CC(=O)N[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 48273913 FYVIQHQHKBTHLH-ZDUSSCGKSA-N 317.349 1.503 5 40 DDBB O=C(O)C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 4428048 JBNMJWTUJUPUNW-NEPJUHHUSA-N 308.290 1.803 5 40 DDBB CN1C(=O)S/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 408819709 RJCIFQYXJYICRF-XCVCLJGOSA-N 308.271 1.990 5 40 DDBB O=[N+]([O-])c1ccc(NCCCCN2CCN(CCO)CC2)cc1 72284939 IDRQHFCNORCQKF-UHFFFAOYSA-N 322.409 1.397 5 40 DDBB Nc1c(C(=O)N2CCN(C3CCC3)CC2)cc(F)cc1[N+](=O)[O-] 69874161 KMVOTQPVDWWGPY-UHFFFAOYSA-N 322.340 1.626 5 40 DDBB COC[C@@H](O)CN1CCC(Nc2ccccc2[N+](=O)[O-])CC1 89409734 QZISOXUBXUMPNX-ZDUSSCGKSA-N 309.366 1.478 5 40 DDBB O=C(O)CCc1cnc(COc2ccccc2[N+](=O)[O-])[nH]c1=O 223444917 YIQFBKHAHQLVER-UHFFFAOYSA-N 319.273 1.274 5 40 DDBB COn1c(=O)c(-c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc21 3764789 KKQMUSYZCJFXAH-UHFFFAOYSA-N 313.269 1.269 5 40 DDBB CCOc1ccc(N2C[C@@H](C(=O)OC)CC2=O)c([N+](=O)[O-])c1 70461188 NEXOZSKRPVLOFA-VIFPVBQESA-N 308.290 1.519 5 40 DDBB C[N+]1(CCOC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)CCOCC1 247633210 CDFJUUFTPWMARE-CMKODMSKSA-N 312.498 1.889 5 40 DDBB C[N@+]12CCCC[C@@H]1[C@@H](COC(=O)CN1CCOCC1)CCC2 585162688 CCFPFHWXYMZYJJ-GPMSIDNRSA-N 311.446 1.271 5 40 DDBB O=[N+]([O-])c1ccc2c(c1)[S@](=O)c1nc([N+](=O)[O-])cnc1N2 16940319 PADQAUGDLBXWOT-OAQYLSRUSA-N 307.247 1.517 5 40 DDBB Cn1cnc([N+](=O)[O-])c1S(=O)(=O)Oc1ccc(Cl)cc1 1670440 VCBIEXLZPZYLOK-UHFFFAOYSA-N 317.710 1.749 5 40 DDBB O=C(NCc1nnc2n1CCC2)Nc1cccc([N+](=O)[O-])c1 10464431 KYFJUMJOTVKYPZ-UHFFFAOYSA-N 302.294 1.454 5 40 DDBB CCC1=C([N+](=O)[O-])[C@@H](c2cc(OC)ccc2OC)NC(=O)N1 4065702 FCCRMBLINKXETC-GFCCVEGCSA-N 307.306 1.956 5 40 DDBB Nc1nc(N2CCCCC2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] 5099563 IGSLXHZVPCVQOO-SNVBAGLBSA-N 322.369 1.548 5 40 DDBB COc1ccccc1CNC(=O)COc1cccnc1[N+](=O)[O-] 5688924 QMOGKSWJJVEAAD-UHFFFAOYSA-N 317.301 1.694 5 40 DDBB O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CC2CC2)C1 71888348 UEGLPKQAUYRELC-CYBMUJFWSA-N 319.361 1.574 5 40 DDBB CC(=O)c1ccc(N2CC[C@@H](OCCN(C)C)C2)c([N+](=O)[O-])c1 83843720 GFQWXKSFEHXOTA-CQSZACIVSA-N 321.377 1.954 5 40 DDBB CCOc1cc([N+](=O)[O-])c(C(=O)NCCC(=O)O)cc1OC 95969656 MBIQKVUWZYMVCJ-UHFFFAOYSA-N 312.278 1.207 5 40 DDBB CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCCc2ccccc21 53835540 JAWGPCDWXRJSCZ-ZDUSSCGKSA-N 315.333 1.722 5 40 DDBB COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1cccc(Cl)c1 16189617 YBEWYVDVAHRVAG-SNVBAGLBSA-N 315.709 1.663 5 40 DDBB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 323742 XIEJNYFIRWWUEH-LLVKDONJSA-N 314.319 1.223 5 40 DDBB CCCCn1nnnc1COC(=O)c1cc([N+](=O)[O-])ccc1N 24534861 JMHCLTLVNZULBP-UHFFFAOYSA-N 320.309 1.321 5 40 DDBB Cc1ccoc1CN[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 75092323 LPQYQBYKSPSSJT-DZGCQCFKSA-N 306.318 1.680 5 40 DDBB Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1ccc(C(=O)O)cc1 2730809 JGKWVYOQVXBESL-SECBINFHSA-N 318.289 1.998 5 40 DDBB C[C@H]1CCCN(c2ccc(C(=O)OCC(N)=O)cc2[N+](=O)[O-])C1 7141052 GIJHFTVJBMIRRN-JTQLQIEISA-N 321.333 1.473 5 40 DDBB CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 97097830 DNNGPTGDVPUIIW-BXUZGUMPSA-N 319.361 1.857 5 40 DDBB Cc1n[nH]c(Sc2c(Cl)cc(C(N)=O)cc2[N+](=O)[O-])n1 70462518 WHYHTJARHBRDCD-UHFFFAOYSA-N 313.726 1.925 5 40 DDBB O=C(Nc1ncccn1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 2782611 ARIMWLACFHLSMS-UHFFFAOYSA-N 314.261 1.475 5 40 DDBB O=[N+]([O-])c1cccc([C@@H](O)Cn2nnnc2-c2ccccn2)c1 95432550 NNVJKCLOKKRFGS-ZDUSSCGKSA-N 312.289 1.377 5 40 DDBB COCc1nc2n(n1)CCC[C@H]2Nc1ncc(C)cc1[N+](=O)[O-] 95415160 YRYLBMBGASXWBQ-SNVBAGLBSA-N 318.337 1.983 5 40 DDBB COC(=O)c1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc([N+](=O)[O-])c1 27914446 VTKYCZHXWOLSGY-RNCFNFMXSA-N 322.317 1.679 5 40 DDBB Cc1c(C)[n+](C)c([C@@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)n1O 524734712 GGGLTJONIKJFPV-ZDUSSCGKSA-O 320.325 1.682 5 40 DDBB Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2cccc(O)c2)CC1 60377998 CELPVZORUULYSG-UHFFFAOYSA-N 317.349 1.356 5 40 DDBB COCCN(CCOC)c1nc2sccn2c1[N+](=O)[O-] 8308808 MBGFQUMNJWZHAS-UHFFFAOYSA-N 300.340 1.403 5 40 DDBB Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2CN)cc1[N+](=O)[O-] 89091930 HCBCNWPHRFGPJB-PWSUYJOCSA-N 313.379 1.309 5 40 DDBB Cc1cc([N+](=O)[O-])cnc1N1CCN(C2=NC[C@H](C)S2)CC1 96453743 CILPCEBTFNQQIU-NSHDSACASA-N 321.406 1.912 5 40 DDBB CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 3371449 NGRKIBYTJYKNHK-GFCCVEGCSA-N 313.379 1.357 5 40 DDBB CC[C@H]1CN(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CCO1 29153419 SXJRFVMPBZBNQD-LBPRGKRZSA-N 307.350 1.912 5 40 DDBB O=C(O)[C@H]1CC(=O)N(c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 12736786 IHOMIOLKZPOBBF-JTQLQIEISA-N 319.317 1.633 5 40 DDBB Cc1ccc(OCc2cc(=O)n3ccsc3n2)c([N+](=O)[O-])n1 13113202 FMUJSZVMCWKFMQ-UHFFFAOYSA-N 318.314 1.947 5 40 DDBB C[C@H](CN1CCOC1=O)NC(=O)Nc1ccc([N+](=O)[O-])cc1 69581231 CCPVUGAGNPCJTQ-SECBINFHSA-N 308.294 1.557 5 40 DDBB COc1cccc(NC(=O)Cn2cc([N+](=O)[O-])c(C)cc2=O)c1 128627421 VPCOYLFYAUAIIV-UHFFFAOYSA-N 317.301 1.712 5 40 DDBB Cc1nc(COc2ccccc2[N+](=O)[O-])[nH]c(=O)c1CC(=O)O 217392611 QXIQEIQXMJCFON-UHFFFAOYSA-N 319.273 1.193 5 40 DDBB COCCCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 48667365 KYHWMMZLVVIRAO-UHFFFAOYSA-N 322.770 1.953 5 40 DDBB Cc1nn(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C 69562413 WGUXGUQZMZIZOH-UHFFFAOYSA-N 310.335 1.746 5 40 DDBB O=[N+]([O-])c1ccc(S(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1 3111387 KLCPBVUTEZBXQQ-UHFFFAOYSA-N 300.170 1.797 5 40 DDBB Cc1noc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 26595547 OASBUJCNTFPRQG-UHFFFAOYSA-N 304.310 1.003 5 40 DDBB Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 5701131 IEHNKORLSMNODY-UHFFFAOYSA-N 315.285 1.836 5 40 DDBB O=C(COc1ccccc1)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 8774422 HGSVXQUOGANLFY-HNNXBMFYSA-N 316.313 1.823 5 40 DDBB O=[N+]([O-])c1ccc2sc(OCCN3CCOCC3)nc2c1 85554832 YMHSWXMKXILFLJ-UHFFFAOYSA-N 309.347 1.916 5 40 DDBB Nc1nc(SCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 2567024 WWIQWSUNGCLGEA-UHFFFAOYSA-N 313.726 1.924 5 40 DDBB COC(=O)C[S@@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4275482 ZDSHKLYGWOAHJZ-FQEVSTJZSA-N 311.237 1.894 5 40 DDBB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 323737 XIEJNYFIRWWUEH-NSHDSACASA-N 314.319 1.223 5 40 DDBB CCc1nnsc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 22689178 DTWYAIWSMIGWAS-NSHDSACASA-N 322.346 1.472 5 40 DDBB CCn1cc(CN(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)cn1 2778214 DBBIZIMUZMEXID-UHFFFAOYSA-N 306.326 1.125 5 40 DDBB Cc1c(C(=O)NCc2nnc3n2CCC3)cccc1[N+](=O)[O-] 12996126 IERLGWIDFQZFGD-UHFFFAOYSA-N 301.306 1.371 5 40 DDBB CCO[C@@H](C)n1cc(I)c([N+](=O)[O-])n1 616567868 PBJMEHKSIXNJSM-YFKPBYRVSA-N 311.079 1.951 5 40 DDBB C[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 100174585 WGQIDENZQJCDIA-RTWAVKEYSA-N 300.270 1.428 5 40 DDBB Cn1c(=O)n(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc21 95432534 AMDGOJLVBIUYQE-HNNXBMFYSA-N 313.313 1.982 5 40 DDBB C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccccc1[N+](=O)[O-] 71904627 PTIQEWRVLCBOEO-GHMZBOCLSA-N 300.380 1.848 5 40 DDBB CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 4504688 YZYLFVFEESSFQS-GFCCVEGCSA-N 312.347 1.244 5 40 DDBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-n2cnnn2)cc1 4904718 HHSCQXHSQXBWJB-UHFFFAOYSA-N 310.273 1.823 5 40 DDBB C[C@H](Cn1ccnc1)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 44917263 VYSUCQHQYSXYDC-LLVKDONJSA-N 317.349 1.676 5 40 DDBB NS(=O)(=O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 12727264 PKQIPNYSFQJDQS-UHFFFAOYSA-N 319.342 1.936 5 40 DDBB CCN1C[C@@H](C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)CC1=O 69895388 PVFKKKBBSVEPRV-JQWIXIFHSA-N 317.345 1.741 5 40 DDBB CC(=O)c1cc([N+](=O)[O-])ccc1NCCCNS(C)(=O)=O 225817040 DXPMNIMTYREJOC-UHFFFAOYSA-N 315.351 1.149 5 40 DDBB COC(=O)CN(C)CCNc1ccc([N+](=O)[O-])cc1Cl 95458360 IWRDHUSFBYHNAZ-UHFFFAOYSA-N 301.730 1.765 5 40 DDBB COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[N+](C)(C)C2 4731317 FESJTOGKKMDYHG-JOQOYGCGSA-N 302.394 1.995 5 40 DDBB O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1COc2ccccc2C1 48270411 JELDZCZLJGCPJA-LLVKDONJSA-N 316.317 1.159 5 40 DDBB CC(C)S(=O)(=O)[C@@H](C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-] 71857399 WNRNGJZAESTBIW-QMMMGPOBSA-N 318.326 1.884 5 40 DDBB CNC(=O)[C@H]1CCCN1CCCOc1ccc([N+](=O)[O-])cc1 69510021 YAFTURCQSDFKQQ-CQSZACIVSA-N 307.350 1.574 5 40 DDBB CN(C)n1ccc2nc3oc4ccccc4c(=O)c3cc2c1=O 1395617 FWLUPRBJZAKMOF-UHFFFAOYSA-N 307.309 1.854 5 40 DDBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC(=O)N1 72283686 OZCLURFWYQNUFH-ZJUUUORDSA-N 323.374 1.470 5 40 DDBB Cc1[nH]c(=S)n(-c2cccc([N+](=O)[O-])c2)c(=O)c1CC(=O)O 20156401 XWJGAOKIBDXJGV-UHFFFAOYSA-N 321.314 1.739 5 40 DDBB CCN(CCS(=O)(=O)CC)Cc1ccccc1[N+](=O)[O-] 95398569 QACZZWUUQREOES-UHFFFAOYSA-N 300.380 1.851 5 40 DDBB Cn1c2ccccc2c2nn3c(SCC(=O)O)nnc3nc21 1001307 CZSLPRPHNNOBHT-UHFFFAOYSA-N 314.330 1.341 5 40 DDBB CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)NC(C)C 6787720 DHRIJBBTSFEABP-UHFFFAOYSA-N 322.365 1.380 5 40 DDBB O=C(c1cnccn1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 7803190 ABSANZRPELCGFS-UHFFFAOYSA-N 313.317 1.347 5 40 DDBB CC(=O)Oc1cc([N+](=O)[O-])ccc1C(OC(C)=O)OC(C)=O 22047032 QDNQRFYBDCYWBM-UHFFFAOYSA-N 311.246 1.645 5 40 DDBB in-vitro COc1ccc(C(=O)N(C)C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] 89340256 WOXWUJYSSYAVNF-WCQYABFASA-N 308.334 1.836 5 40 DDBB CO[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 195557595 JBNPBVJLPQJFFS-ZIAGYGMSSA-N 307.350 1.102 5 40 DDBB NC(=O)CN1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 54389045 QGNXOCUAPYUXAT-UHFFFAOYSA-N 312.757 1.246 5 40 DDBB Cc1cc(NCc2ccccn2)nc(-n2cc([N+](=O)[O-])cn2)n1 5251735 LTGZMEKWKYIRGU-UHFFFAOYSA-N 311.305 1.886 5 40 DDBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCC(C)C 197049 SBPJJQXTEIYJIC-UHFFFAOYSA-N 319.159 1.634 5 40 DDBB O=[N+]([O-])c1ccc(NCCS(=O)(=O)c2ccccc2)nc1 43272435 FHVWNLVHPZIHDI-UHFFFAOYSA-N 307.331 1.876 5 40 DDBB NC(=O)c1ccc(NC[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 12735843 NOYGQHHUYRKERA-JTQLQIEISA-N 319.317 1.550 5 40 DDBB Cc1c(C(=O)NC[C@@H]2CCCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4508079 QWSZFGVNCYEGTL-JTQLQIEISA-N 309.278 1.720 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCn2nc(C)nc2C1 72312244 RRLVDQDIJFJYPA-UHFFFAOYSA-N 317.305 1.302 5 40 DDBB Cc1cnc(N2CCC(c3cc(N)[nH]n3)CC2)c([N+](=O)[O-])c1 85704002 HIVQGLILHNHWGP-UHFFFAOYSA-N 302.338 1.988 5 40 DDBB CCCn1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c1=O 82462127 VRBKFFZCYRLGLE-UHFFFAOYSA-N 303.274 1.927 5 40 DDBB NC(=O)c1ccc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 32779323 SLSLFQLVLRJECF-UHFFFAOYSA-N 318.377 1.758 5 40 DDBB O=C1NC(=O)c2ccccc2/C1=C\NCc1ccccc1[N+](=O)[O-] 55007806 GBWSBRMYVQEVIW-GXDHUFHOSA-N 323.308 1.996 5 40 DDBB NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 79099436 QZWMXCBEQMQFOW-CHWSQXEVSA-N 305.334 1.759 5 40 DDBB COCCCNc1c([N+](=O)[O-])nn(-c2cccc(C)c2)[n+]1[O-] 4922683 SMGNJZMSPLCCAV-UHFFFAOYSA-N 307.310 1.171 5 40 DDBB O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])o1 58169258 PLWCRGUQVBHCPX-MRVPVSSYSA-N 321.255 1.802 5 40 DDBB CC1=NN[C@@]2(C)Nc3ncnn3[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12 4060589 KNJBPUYAXUVFLK-MBNYWOFBSA-N 313.321 1.513 5 40 DDBB CCc1nsc(SCCn2cc([N+](=O)[O-])ccc2=O)n1 95446264 VAKMJXWWOAWJEK-UHFFFAOYSA-N 312.376 1.963 5 40 DDBB COC(=O)c1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1 5005149 IDRKHLKLEZUUIY-QPJJXVBHSA-N 317.257 1.341 5 40 DDBB CC(=O)N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 6905258 WHLHNIOUAMXSLF-UHFFFAOYSA-N 323.374 1.378 5 40 DDBB CCN(CC)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 69538833 FALQWJZGCPRUSK-UHFFFAOYSA-N 318.337 1.660 5 40 DDBB CCOC(=O)c1cc(C(=O)NC2=NCCS2)cc([N+](=O)[O-])c1 32996139 KKOYSQRJFJZAAV-UHFFFAOYSA-N 323.330 1.604 5 40 DDBB CCn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(N)=O 2796286 JUKLJNZAXFZZEO-UHFFFAOYSA-N 303.278 1.162 5 40 DDBB CCCCNC(=O)COC(=O)COc1ccccc1[N+](=O)[O-] 3509569 QAVBTRRWNVMDHM-UHFFFAOYSA-N 310.306 1.433 5 40 DDBB NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 3885817 SVRJRYOMDWNKCN-UHFFFAOYSA-N 308.319 1.681 5 40 DDBB Cc1nc(N2CCOCC2)nc(N2CCCC[C@@H]2C)c1[N+](=O)[O-] 4170765 XWUQCZBIVMKEQO-NSHDSACASA-N 321.381 1.909 5 40 DDBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCCc1ccccc1 4965196 BDQUDCAQDWACFW-UHFFFAOYSA-N 318.285 1.704 5 40 DDBB C[C@@H]1CC[C@@H](C(N)=O)CN1CCOc1ccccc1[N+](=O)[O-] 69617149 NWPKJPDCRKWPNX-VXGBXAGGSA-N 307.350 1.559 5 40 DDBB O=c1c2ccsc2ccn1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 97052830 YQMDHYDNYMTVBY-SNVBAGLBSA-N 320.330 1.229 5 40 DDBB Cc1ccc([C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2)cn1 4158400 RDKJZWQREGPLLH-CQSZACIVSA-N 301.302 1.762 5 40 DDBB Nc1nc(N2CCOCC2)nc(Nc2ccccc2)c1[N+](=O)[O-] 5030227 MWJHFMLCOKEGBT-UHFFFAOYSA-N 316.321 1.547 5 40 DDBB Cn1ncc2c(=O)n(Cc3ccc([N+](=O)[O-])cc3Cl)nnc21 97082320 ZJKRTOPEHRCNCY-UHFFFAOYSA-N 320.696 1.135 5 40 DDBB CN(C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1N(C)C 408721087 CRXIBOZYMHMNGN-UHFFFAOYSA-N 306.282 1.578 5 40 DDBB COC(=O)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 5669522 BFSIMROKHSVWBF-UHFFFAOYSA-N 306.318 1.549 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(N)n1 3444363 IVTZXYULWLZZPQ-UHFFFAOYSA-N 308.323 1.334 5 40 DDBB CC(C)N(C)CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 95350048 UJTOPNTYPCGGRC-UHFFFAOYSA-N 309.366 1.820 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SCCO 7198452 LUAFBHNHJKBRKQ-QMMMGPOBSA-N 300.336 1.656 5 40 DDBB Cc1nc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)no1 69698692 OJEBEOUMNSCUBX-UHFFFAOYSA-N 313.273 1.558 5 40 DDBB COC(=O)[C@H]1CCCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 97104025 JHCHEGNWJNZZND-LLVKDONJSA-N 319.317 1.621 5 40 DDBB CC(C)(C)OC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 3441633 VMUVCQGAGMWOEF-UHFFFAOYSA-N 305.290 1.646 5 40 DDBB CN(CC(=O)OCc1ccc([N+](=O)[O-])cc1)c1ncccn1 23199687 OMBDBBFKIDNCOI-UHFFFAOYSA-N 302.290 1.564 5 40 DDBB CN(CC(=O)OCc1ccccc1[N+](=O)[O-])c1ncccn1 23199737 QVZIRPWAQVMZGE-UHFFFAOYSA-N 302.290 1.564 5 40 DDBB Cc1cc(Br)c(NC(=O)NCCO)cc1[N+](=O)[O-] 96010742 WKUQHIMFVWNJJW-UHFFFAOYSA-N 318.127 1.780 5 40 DDBB CN(C)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 97165922 UJLWFGOXWPRRCG-UHFFFAOYSA-N 309.369 1.973 5 40 DDBB CC(C)c1nc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)c[nH]1 96446600 CUPPRGDCQCZDNQ-UHFFFAOYSA-N 324.362 1.920 5 40 DDBB Nc1nc(NCCOc2ccc3c(c2)CCC3)ncc1[N+](=O)[O-] 77524966 QLTKHHLFJBHGPJ-UHFFFAOYSA-N 315.333 1.947 5 40 DDBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCCC1 3260141 KGPDDIYIMBGXFS-VMPITWQZSA-N 304.302 1.774 5 40 DDBB O=C(O)C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 4428050 JBNMJWTUJUPUNW-VXGBXAGGSA-N 308.290 1.803 5 40 DDBB O=C(c1cc[nH]n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 72290003 KPMOJMCXJVRNRH-SECBINFHSA-N 302.294 1.040 5 40 DDBB O=C(COc1ccccc1)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 8774423 HGSVXQUOGANLFY-OAHLLOKOSA-N 316.313 1.823 5 40 DDBB Cc1cc(=O)n(C)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 79587678 YLCUXPRARSMFNF-UHFFFAOYSA-N 301.302 1.783 5 40 DDBB Cn1cc(CCCn2nnc(-c3cccc([N+](=O)[O-])c3)n2)cn1 88500824 PDBKITOHNSTAEE-UHFFFAOYSA-N 313.321 1.615 5 40 DDBB O=C(Cn1cc([N+](=O)[O-])cn1)NCCc1ccc(Cl)cc1 4743049 ZADMFHDTXXUCSV-UHFFFAOYSA-N 308.725 1.804 5 40 DDBB CC1(C)OC[C@H](CCn2cnc3ccc([N+](=O)[O-])cc3c2=O)O1 521394940 BYAABMXFZUYHNF-NSHDSACASA-N 319.317 1.846 5 40 DDBB CC(C)(C(=O)NC[C@](C)(O)c1ccco1)n1cc([N+](=O)[O-])cn1 96459322 BOVVTIPYZXJIRW-AWEZNQCLSA-N 322.321 1.143 5 40 DDBB CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN2CCCC[C@H]12 58289900 WTKXIQGSIKFPJM-LSDHHAIUSA-N 318.377 1.993 5 40 DDBB Cc1nccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])n1 48324355 SHQZETXEDLGMAW-UHFFFAOYSA-N 301.306 1.535 5 40 DDBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NCCO)n2)cc1C 5026096 JZTYHTZWVZOMLG-UHFFFAOYSA-N 318.337 1.732 5 40 DDBB Cc1ccc(NCCNC(=O)c2ccc([N+](=O)[O-])s2)nn1 69779283 FQKHUIZUERVNRO-UHFFFAOYSA-N 307.335 1.597 5 40 DDBB O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(n2ccnn2)CC1 97032053 ABZMONKNUFWDSO-UHFFFAOYSA-N 319.296 1.803 5 40 DDBB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 4863095 OWIRASZRJZHFER-OZVVPTBGSA-N 300.270 1.612 5 40 DDBB C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 45799308 GJUCYGHTTAPAEI-JTQLQIEISA-N 300.336 1.145 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1C(=O)N(C1CC1)[C@H]1CC(O)=NC1=O 96703783 BWSUYXAUPSLFIK-LBPRGKRZSA-N 317.301 1.763 5 40 DDBB Cc1ccc(-n2ccc3c(cnc4ncnn43)c2=O)cc1[N+](=O)[O-] 19960084 MILCAVFCKOXXRW-UHFFFAOYSA-N 322.284 1.645 5 40 DDBB CN1CCO[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 161972356 XDGSXEWKTMOTOX-OAHLLOKOSA-N 319.361 1.416 5 40 DDBB Cc1nc(NCc2ccco2)nc(N2CCOCC2)c1[N+](=O)[O-] 38488492 CFQPMNDTTOOTHK-UHFFFAOYSA-N 319.321 1.735 5 40 DDBB 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 101107126 LZCOQTDXKCNBEE-KBCNZALWSA-N 318.393 1.063 5 40 DDBB in-vitro O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cnnn2)cc1 5034609 XXVIBTSHDLILEX-UHFFFAOYSA-N 310.273 1.823 5 40 DDBB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 60512649 ORXFZYYOMXMLEU-UHFFFAOYSA-N 321.333 1.440 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC2(CC1)OCCO2 32923379 FRCNQGLDEPHAGG-UHFFFAOYSA-N 322.317 1.725 5 40 DDBB CN(C)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 3798955 XXVLKDRPHSFIIB-UHFFFAOYSA-N 313.313 1.906 5 40 DDBB investigational COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 100186066 YALSXDFXEYVAAF-CYDGBPFRSA-N 316.269 1.046 5 40 DDBB O=c1ccn(Cc2nnc(-c3cccs3)o2)cc1[N+](=O)[O-] 89800101 IQCUMOJENRQOPQ-UHFFFAOYSA-N 304.287 1.916 5 40 DDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 229800462 LPJNBUUGOGAAKR-NDBYEHHHSA-N 316.269 1.046 5 40 DDBB O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCCNC1=O 80598398 MZXVCDBXCAQJPK-GFCCVEGCSA-N 320.349 1.105 5 40 DDBB Cc1nc(NC(=O)Cc2c(C)nn(C)c2C)ccc1[N+](=O)[O-] 96475313 GEKYOVCDJBPAHR-UHFFFAOYSA-N 303.322 1.830 5 40 DDBB CN1CCN(c2ccc([N+](=O)[O-])c(N3CC[C@H](F)C3)c2)CC1 1776011107 GLWOLGJISMGKDB-LBPRGKRZSA-N 308.357 1.895 5 40 DDBB C[N+](C)(C)CCOC(=O)CCCCC(=O)OCC[N+](C)(C)C 5002543 SIVNNSZMJKUCEL-UHFFFAOYSA-N 318.458 1.046 5 40 DDBB O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@H]1CO 81499804 MGMAXMSYEINRDH-KBPBESRZSA-N 321.377 1.988 5 40 DDBB Brc1ccc(C[N+]23CN4CN(CN(C4)C2)C3)cc1 19319305 ANNCFHWMSRTKBZ-UHFFFAOYSA-N 310.219 1.458 5 40 DDBB CCN(CC)S(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1 26874489 VNCTZJQIPUUXPV-UHFFFAOYSA-N 316.383 1.183 5 40 DDBB CCOC(=O)[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 5939480 PMJDPLHEINXMLV-LLVKDONJSA-N 321.333 1.473 5 40 DDBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 67703532 WNXMLJCDDZFPBD-LJLILKBBSA-N 301.346 1.961 5 40 DDBB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)n1ccnc1 20437063 UKSREIPTSUUFCH-LBPRGKRZSA-N 315.333 1.970 5 40 DDBB O=C(Nc1cnc(-c2cccc(O)c2)nc1)[C@H]1C[C@@H]1[N+](=O)[O-] 69975714 HKJZTJSCHWUIPC-RYUDHWBXSA-N 300.274 1.453 5 40 DDBB O=[N+]([O-])c1cccc(-c2nc(CCN3CCOCC3)n[nH]2)c1 62719527 IOCPHRYEGIUDIS-UHFFFAOYSA-N 303.322 1.255 5 40 DDBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 46033761 IEQXMTAEXXFSFV-QWRGUYRKSA-N 314.363 1.701 5 40 DDBB CC[C@H](C)NC(=O)COC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 5363077 SJQIWFNCTMPSFD-JTQLQIEISA-N 323.349 1.732 5 40 DDBB O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] 32932564 JKYMKFYKYKLAGY-NXEZZACHSA-N 304.224 1.867 5 40 DDBB Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)no1 3383514 PHLWAJSBADTXEI-UHFFFAOYSA-N 305.246 1.687 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1CO 35207278 FCAZCCCJIFRDTK-LBPRGKRZSA-N 314.363 1.439 5 40 DDBB COc1cc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])ccc1N1CCCC1=O 58424352 LCWDAVJEVJXZMP-JQWIXIFHSA-N 319.317 1.426 5 40 DDBB O=[N+]([O-])c1c(NCCCN2CCOCC2)nc2ccccn12 29161934 GAQHKMHFQRGHNZ-UHFFFAOYSA-N 305.338 1.377 5 40 DDBB CC(C)(C)NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 3359920 ZBEQUWHNSVKCCL-UHFFFAOYSA-N 304.306 1.219 5 40 DDBB Nc1nc(NC[C@@H]2CCCO2)nc(N2CCCC2)c1[N+](=O)[O-] 4306206 VUNKYXUMSZENDN-VIFPVBQESA-N 308.342 1.158 5 40 DDBB Cn1c(=O)c2c(=O)[nH]c3cccc4c(=O)c5cccc1c5c2c34 6452628 JNKWJDMEYPYGJU-UHFFFAOYSA-N 302.289 1.922 5 40 DDBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccc(F)cc1 15608373 VCLIJEREJIUDFA-MRVPVSSYSA-N 305.265 1.913 5 40 DDBB CC(C)c1ccc(CN2CCN3C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 91864815 XIRNKGUHHWSEOB-CYBMUJFWSA-N 318.377 1.928 5 40 DDBB C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C 97115399 QDRTZHLQNKWHQN-UWVGGRQHSA-N 313.379 1.725 5 40 DDBB CC[C@@](C)(NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C(=O)O 95424541 BKQMCQVPTWYAEL-CYBMUJFWSA-N 312.326 1.168 5 40 DDBB CN(CC(F)F)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 96501514 FGCNCNWMYPBPQB-UHFFFAOYSA-N 300.308 1.761 5 40 DDBB COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1cccc(Cl)c1 16189615 YBEWYVDVAHRVAG-JTQLQIEISA-N 315.709 1.663 5 40 DDBB COCCCn1c(SCc2ccc([N+](=O)[O-])cc2)n[nH]c1=O 7348224 POBMGTIUZVJYGM-UHFFFAOYSA-N 324.362 1.808 5 40 DDBB O=C(NCc1nnc2n1CCC2)Nc1ccc([N+](=O)[O-])cc1 32889684 PMYXTNHWOIXRJJ-UHFFFAOYSA-N 302.294 1.454 5 40 DDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(O)CC1 23993142 TYSQXQHWSPIFSZ-SNVBAGLBSA-N 323.349 1.387 5 40 DDBB CCOC(=O)c1c(C)nn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc12 61362 LHKBZASNGCCCST-UHFFFAOYSA-N 316.277 1.513 5 40 DDBB C[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 100172060 KSFCXQHZDYXHJQ-MPTQWLOMSA-N 314.297 1.818 5 40 DDBB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 36239920 LXSBXBVWLRHDAV-LLVKDONJSA-N 323.330 1.266 5 40 DDBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(C)(C)CN(C)C 191796339 RBRCUOKADXXJFA-SNVBAGLBSA-N 308.382 1.883 5 40 DDBB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 5251395 PFVKISRMAQRWFX-UHFFFAOYSA-N 317.276 1.989 5 40 DDBB COC(=O)[C@@H](C)CN(C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 32928175 WTUFEUZVZUMVMR-VIFPVBQESA-N 310.306 1.485 5 40 DDBB CCc1nnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)s1 8763919 FVTCWPICFJAGJX-UHFFFAOYSA-N 320.377 1.871 5 40 DDBB O=C(N[C@@H]1CCSC1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2058208 VBEVRBJEEBBMIC-SECBINFHSA-N 311.275 1.265 5 40 DDBB O=[N+]([O-])c1ccccc1Nc1cnn(CCN2CCOCC2)c1 69527793 OUNSYEPWUYDWRD-UHFFFAOYSA-N 317.349 1.867 5 40 DDBB CCOC(=O)[C@H](N)Cc1ccc(Br)cc1[N+](=O)[O-] 34424611 POQSUGPFFCSANW-SECBINFHSA-N 317.139 1.790 5 40 DDBB O=C(O)c1nn(-c2ncccc2Br)nc1[N+](=O)[O-] 89263463 BJIBHGBLVAZGKM-UHFFFAOYSA-N 314.055 1.031 5 40 DDBB COc1ccc(COn2nnc3ccccc32)cc1[N+](=O)[O-] 77327182 WPYQPERTRHEGLV-UHFFFAOYSA-N 300.274 1.977 5 40 DDBB CCC[N+](C)(C)CCCOC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 104184275 BXSSFQJPTIHPHH-RMEBNNNOSA-N 310.414 1.604 5 40 DDBB CC(C)(C)OC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4412204 DPHAOBJBPBESAC-UHFFFAOYSA-N 316.335 1.215 5 40 DDBB Cc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1[N+](=O)[O-] 71847071 GJAPAIYZOZHFSE-CYBMUJFWSA-N 315.333 1.972 5 40 DDBB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc([N+](=O)[O-])cc1 5850806 TVGJMBKTWCKVOD-UHFFFAOYSA-N 317.257 1.024 5 40 DDBB Cc1nc(N2CCC[C@H]2CN2CCOCC2)ccc1[N+](=O)[O-] 160398082 CVJUYEVWQKMEBS-ZDUSSCGKSA-N 306.366 1.599 5 40 DDBB COCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 47864328 KAEWGZQOOQTICT-UHFFFAOYSA-N 305.237 1.964 5 40 DDBB Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]1CCCO1 7033679 RNOOLSDGRLBKFU-NSHDSACASA-N 308.290 1.564 5 40 DDBB Cc1c(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1C 97101053 NGTKLNDNOQOZTH-UHFFFAOYSA-N 304.306 1.914 5 40 DDBB COC(=O)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 12526654 LPZYGHRVIXAHKO-UHFFFAOYSA-N 324.336 1.444 5 40 DDBB O=[N+]([O-])c1cn(Cc2nnnn2C2CC2)nc1-c1ccncc1 72674666 LLHMZDDBUWPQPO-UHFFFAOYSA-N 312.293 1.223 5 40 DDBB Cc1c(NC(=O)CSc2n[nH]c(N)n2)cccc1[N+](=O)[O-] 13117163 DYKGJKZWEAVMKI-UHFFFAOYSA-N 308.323 1.334 5 40 DDBB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn32)cc1[N+](=O)[O-] 13687049 BEMKZCMIPFTOCK-JTQLQIEISA-N 316.277 1.017 5 40 DDBB Cc1ccc(OCC(=O)NC(=O)NC2CCCC2)c([N+](=O)[O-])n1 5970195 RUPGQKMXHMKFHV-UHFFFAOYSA-N 322.321 1.445 5 40 DDBB Cc1csc(C(C)(C)NC(=O)CCn2cc([N+](=O)[O-])cn2)n1 96407429 FAKXTKYSYYSMMY-UHFFFAOYSA-N 323.378 1.998 5 40 DDBB CCCCC[N+](C)(C)CCOC(=O)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 5352032 JJACJBAQGASNLP-LEOABGAYSA-N 324.441 1.994 5 40 DDBB O=C(NCCc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 5251419 ALYZGHGPFYJBKW-UHFFFAOYSA-N 313.313 1.892 5 40 DDBB CC1(COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)COC1 58160953 LNVCDTNDIIJOEP-UHFFFAOYSA-N 317.301 1.974 5 40 DDBB Cc1cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c[nH]c1=O 89275092 QQZPDVUVTWNFHX-UHFFFAOYSA-N 316.317 1.956 5 40 DDBB Cn1cc(C[C@@H](CO)Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 521395278 QAZQJZGCNVWIJW-NSHDSACASA-N 310.741 1.997 5 40 DDBB CCC1(CC)[C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1OC 95423442 LUENDJLRFYSKFP-QWRGUYRKSA-N 324.381 1.960 5 40 DDBB Cc1cc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])o3)o2)n(C)n1 13614556 RZSRIRXXCGYMKP-UHFFFAOYSA-N 318.249 1.532 5 40 DDBB O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc([N+](=O)[O-])cc1 411623 FXZSPINRULICKO-UHFFFAOYSA-N 311.257 1.790 5 40 DDBB O=C(O)C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 4428047 JBNMJWTUJUPUNW-RYUDHWBXSA-N 308.290 1.803 5 40 DDBB O=C(NCc1ccco1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 97081103 KSZYKYFSIRVPPV-AWEZNQCLSA-N 315.285 1.997 5 40 DDBB CC(C)C[C@@H](CN)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 96483357 FJRSEEKQBWOHDW-VIFPVBQESA-N 319.358 1.386 5 40 DDBB C[N+]1(C[C@@H](O)COCCO[C@H]2C[C@H]3CC[C@H]2C3)CCOCC1 245239715 AAKUNFYHSUBHKE-NXOAAHMSSA-N 314.446 1.046 5 40 DDBB Cc1cccc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c1[N+](=O)[O-] 54691439 WFOXVCJOICFNJK-CYBMUJFWSA-N 313.313 1.860 5 40 DDBB Cc1ccc(OCn2nnc3ccccc3c2=O)c([N+](=O)[O-])n1 6787795 HZQVNRPDEUOKFM-UHFFFAOYSA-N 313.273 1.440 5 40 DDBB Cc1ccccc1CN1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 44507329 RMIWYKZKMKGBCS-CVEARBPZSA-N 317.389 1.695 5 40 DDBB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 100396892 MFFLPLZYIUINHA-XMUKKISLSA-N 302.286 1.836 5 40 DDBB Cn1cnnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 3395195 CUHDAJLKGIEUJD-UHFFFAOYSA-N 308.319 1.882 5 40 DDBB Cn1ccnc1N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 72293269 ZCJGSBADPZETAF-UHFFFAOYSA-N 322.756 1.703 5 40 DDBB O=C(c1ccoc1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 26715670 XFFSQGLLZRQOHY-UHFFFAOYSA-N 302.290 1.545 5 40 DDBB CC[N+](C)(CC)CCCN1C(=O)c2ccccc2S1(=O)=O 1677238 XSMOYAPNDHVBTD-UHFFFAOYSA-N 311.427 1.708 5 40 DDBB CCn1ncc(CNC(=O)CCn2ncc([N+](=O)[O-])c2C)c1C 2793929 RWNXAZAGRBHHPM-UHFFFAOYSA-N 320.353 1.331 5 40 DDBB C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 6120143 MGSIJSNXUYDVFF-LLVKDONJSA-N 313.313 1.734 5 40 DDBB CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C 4608410 NFWBCEBMWWVJIP-VIFPVBQESA-N 308.294 1.560 5 40 DDBB CNc1cc(N2CCN(C(=O)C(C)C)CC2)ccc1[N+](=O)[O-] 4703643 DAGAFGIJOFHWSK-UHFFFAOYSA-N 306.366 1.941 5 40 DDBB Cc1ccc(N2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)nn1 84191766 FRHCPAUYIADGDL-UHFFFAOYSA-N 314.349 1.805 5 40 DDBB Cc1nc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 42114375 DYAYGPWWZFPZQE-UHFFFAOYSA-N 313.360 1.838 5 40 DDBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](C)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1 100172034 DWBRKRTWHDOAPE-ZWUHOBOKSA-N 314.297 1.736 5 40 DDBB CCCCN(C)c1nc(N)c([N+](=O)[O-])c(N2CCOCC2)n1 5503301 NXDGZFVWJUEVRO-UHFFFAOYSA-N 310.358 1.040 5 40 DDBB C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 4155542 HOTHFYFSLVLRHY-FUTJPDQTSA-N 300.270 1.428 5 40 DDBB CN(Cc1cnn(C)c1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C 24476333 RDMZWUFWXUZIKE-UHFFFAOYSA-N 317.349 1.667 5 40 DDBB O=C(COC(=O)COc1ccccc1[N+](=O)[O-])NC1CCCC1 3450025 SISPYVNYLVBWPA-UHFFFAOYSA-N 322.317 1.576 5 40 DDBB O=C(CCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCOCC1 8996840 KXOBMEZEKNHUIM-UHFFFAOYSA-N 304.306 1.263 5 40 DDBB O=C(c1cnccn1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 9157650 HPVYWLMJBLFOQO-UHFFFAOYSA-N 313.317 1.347 5 40 DDBB CC(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 408531368 KJMPGMMSEYHNBH-UHFFFAOYSA-N 306.322 1.770 5 40 DDBB Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n[nH]c1=O 32672290 XJSHWQRGOIQHIE-UHFFFAOYSA-N 324.318 1.175 5 40 DDBB CC(C)CNC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 23815767 YZSBBLJQVATRQX-UHFFFAOYSA-N 320.393 1.489 5 40 DDBB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 29737882 GRQKUVDWWFVVBN-CYBMUJFWSA-N 307.331 1.522 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H](C)C2)n1 13778968 JITIQZLHWUPYKJ-AOOOYVTPSA-N 324.385 1.508 5 40 DDBB O=C(Nc1ccccc1CN1CCSCC1)[C@H]1C[C@H]1[N+](=O)[O-] 65495004 BBYFDUVVQYOHIN-GXTWGEPZSA-N 321.402 1.839 5 40 DDBB Cc1[nH]nc(C(F)(F)F)c1NC(=O)c1c([N+](=O)[O-])cnn1C 6412506 BLXIEIPEGQCKLR-UHFFFAOYSA-N 318.215 1.631 5 40 DDBB Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC(=O)C1CC1 95458386 UFZICDIHVSPTBR-UHFFFAOYSA-N 312.347 1.469 5 40 DDBB COCCN1CCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 69531540 AWWCXSDCBSFACO-GFCCVEGCSA-N 322.365 1.018 5 40 DDBB O=C(NCc1nc[nH]n1)c1cc2cc([N+](=O)[O-])ccc2s1 70825131 USTCHQIMXOVGAA-UHFFFAOYSA-N 303.303 1.858 5 40 DDBB CCC[N+](C)(C)CCCOC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 5352083 BXSSFQJPTIHPHH-KHMAMNHCSA-N 310.414 1.604 5 40 DDBB Cn1cc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)cn1 102620355 BVTIDRABEMAAKV-UHFFFAOYSA-N 306.297 1.830 5 40 DDBB CC(=O)Nc1cc2nc3nc(S)[nH]c(=O)c3nc2cc1C 5818220 XJRIEOODZYZXHG-UHFFFAOYSA-N 301.331 1.422 5 40 DDBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc[nH]c1=O 9890917 KIYAGBWAWCLAOJ-UHFFFAOYSA-N 302.290 1.125 5 40 DDBB Cc1cc(F)cc(C(=O)N2CCN(C3CC3)C(=O)C2)c1[N+](=O)[O-] 89587334 UEZHSQJCXHIFNG-UHFFFAOYSA-N 321.308 1.489 5 40 DDBB Cc1cccc(N2CCC[C@@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-] 225458899 LORNIJOEFZPVAD-LLVKDONJSA-N 313.379 1.421 5 40 DDBB C[C@H]1COCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 25139736 UTDXNOKLVGIACP-JTQLQIEISA-N 317.305 1.036 5 40 DDBB CCS(=O)(=O)c1cnc(N)nc1-c1ccc([N+](=O)[O-])cc1 96533080 CGFXGJKLENGVNE-UHFFFAOYSA-N 308.319 1.428 5 40 DDBB CCO[C@H]1C[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C1(C)C 96418946 VDOHUZIDYKLHJE-STQMWFEESA-N 324.381 1.843 5 40 DDBB COC(=O)C[C@@H](C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 78985332 VNRSZSBFPOEJIU-GFCCVEGCSA-N 307.350 1.668 5 40 DDBB CCN1CCC[C@H](Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 53577178 PBRCPGALOKQNAG-LBPRGKRZSA-N 306.366 1.851 5 40 DDBB C[C@@H]1C[C@H]1COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 58308920 APSRSNWYZIMRSK-KOLCDFICSA-N 302.290 1.988 5 40 DDBB O=[N+]([O-])c1ccc(OC[C@H](O)CNc2ncccc2F)cc1 84484907 VVVVYOUFEVJYBE-LLVKDONJSA-N 307.281 1.981 5 40 DDBB Cn1ccc(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])n1 28779271 BPFLQHFCYDJLFT-UHFFFAOYSA-N 300.271 1.268 5 40 DDBB CN(C)C[C@@H](O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 32809980 CZINKMIBIQRRFJ-VIFPVBQESA-N 307.272 1.948 5 40 DDBB C[C@H]1CN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 22612104 CSTDQUBHRNOSOF-TXEJJXNPSA-N 307.350 1.434 5 40 DDBB Cc1cc(=O)n2nc(Oc3cccnc3[N+](=O)[O-])sc2n1 58009385 RZOSFPCQJGNFRD-UHFFFAOYSA-N 305.275 1.555 5 40 DDBB CNc1ccc(C(=O)N[C@H]2CCN3CCCC[C@H]23)cc1[N+](=O)[O-] 47287011 YWRWDGPMZJUEIH-UONOGXRCSA-N 318.377 1.993 5 40 DDBB C[C@@H]1CCCN(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])C1 5528026 RWEZGNBGADKODX-SNVBAGLBSA-N 300.336 1.950 5 40 DDBB COC1=C(OC)[C@@H](OC)CC([N+](=O)[O-])=C1[C@@H](C)OC(C)=O 2061000481 YYBAOPZNLUXTTE-XCBNKYQSSA-N 301.295 1.392 5 40 DDBB CC(=O)N[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])C(C)C 31930359 UVZFNVXUVXURNS-CQSZACIVSA-N 307.350 1.714 5 40 DDBB N=c1c(C(N)=O)cc2c(=O)n3ccccc3nc2n1C1CCCC1 100088562 GNQCJXHRNQEEMM-UHFFFAOYSA-N 323.356 1.343 5 40 DDBB CC1(C)CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1(C)C 96483056 QTHMCWSWHWSGPV-UHFFFAOYSA-N 313.379 1.867 5 40 DDBB O=[N+]([O-])c1c(NCCCCN2CCOCC2)nc2ccccn12 52308830 CWPDTNRZSVAUCJ-UHFFFAOYSA-N 319.365 1.767 5 40 DDBB COC(=O)[C@@H]1Cc2[nH]cnc2CN1Cc1ccc([N+](=O)[O-])cc1 15707146 WGLCGXPAKHUVLP-AWEZNQCLSA-N 316.317 1.418 5 40 DDBB biogenic,in-vitro CN1CCC(CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 156394303 POUNYNAIOPKJRC-UHFFFAOYSA-N 305.378 1.985 5 40 DDBB Cn1cncc1CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 195576823 YYBSRHQELYDMCV-UHFFFAOYSA-N 324.362 1.386 5 40 DDBB O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCn2ccnc2C1 166150040 VKGLYUUBZXXAGM-VIFPVBQESA-N 302.290 1.698 5 40 DDBB CC(=O)Nc1cc(N(C)CC(=O)N(C)C)c(F)cc1[N+](=O)[O-] 12538557 XCRMTLPJYKJSGK-UHFFFAOYSA-N 312.301 1.217 5 40 DDBB Nc1nc(N2CCN(c3ccccc3F)CC2)ncc1[N+](=O)[O-] 56908490 FOBKHESONXSQKY-UHFFFAOYSA-N 318.312 1.433 5 40 DDBB O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)NC1CCCC1 28004230 KALKIILCOKAWNZ-UHFFFAOYSA-N 305.290 1.562 5 40 DDBB Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2cc(F)ccc2C1 92617697 RNCVUUYRVKJCAP-UHFFFAOYSA-N 304.281 1.666 5 40 DDBB CCNC(=O)[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 69776237 BCWIINBKKQSIMD-JTQLQIEISA-N 323.324 1.722 5 40 DDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O 139074003 DUMHJZLKIUUULP-FNFFVJSTSA-N 300.270 1.346 5 40 DDBB O=c1ccn(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)[nH]1 73160225 QZEBTIUZZYCECC-UHFFFAOYSA-N 313.269 1.753 5 40 DDBB CCOC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccccc1)C1(C)OCCO1 5717598 NBEQJYMPWHAXHW-KBPBESRZSA-N 323.345 1.989 5 40 DDBB CCN(CC)CCOC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-] 1682887 UHDVUPXSYOZLOA-UHFFFAOYSA-N 310.306 1.792 5 40 DDBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 3900104 XGHKLCSMNZGIHH-KXNHARMFSA-N 322.248 1.327 5 40 DDBB CC[C@@H](C)CS(=O)(=O)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 72281362 JDJPXGMBVWAFCG-MRVPVSSYSA-N 315.351 1.283 5 40 DDBB COC(=O)c1ncn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)n1 78995366 FPVABMRGIPGWLV-UHFFFAOYSA-N 320.305 1.808 5 40 DDBB C[C@@H]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C 6120193 MPQYKYFTJHPPKZ-WZRBSPASSA-N 307.350 1.697 5 40 DDBB C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CO1 28057892 VLWVZMPLWRGEKK-UWVGGRQHSA-N 300.336 1.393 5 40 DDBB O=c1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n[nH]1 20096229 BEGQNMOHPSEJPS-UHFFFAOYSA-N 302.290 1.182 5 40 DDBB CON(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 69491877 DYLIZTDVTMTMJC-ZDUSSCGKSA-N 321.333 1.528 5 40 DDBB O=[N+]([O-])c1ncn(C[C@@H](O)c2cccc(Br)c2)n1 89774393 PEPGCGCFVUEWHD-SECBINFHSA-N 313.111 1.682 5 40 DDBB NC(=O)c1cccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1 25333232 MQYYZDHPQOQJNG-UHFFFAOYSA-N 313.313 1.553 5 40 DDBB CN1CCN(c2ccc(C(=O)N3CCCC3)cc2[N+](=O)[O-])CC1 8726350 NRDUWIAGZYGTRD-UHFFFAOYSA-N 318.377 1.583 5 40 DDBB COC[C@]1(C)NC(=O)N(Cc2cccc([N+](=O)[O-])c2C)C1=O 66082881 WOBUWKDLAYXBTP-AWEZNQCLSA-N 307.306 1.360 5 40 DDBB O=[N+]([O-])c1ncn(C[C@H](O)c2ccc(Br)cc2)n1 95974825 OHLSWRQRBDAIFN-VIFPVBQESA-N 313.111 1.682 5 40 DDBB CC(C)(C)OC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](N)CC(=O)O 21301520 ONVONVHJHISQMZ-YPMHNXCESA-N 324.333 1.822 5 40 DDBB O=C(O)C[C@@H](n1cc(-n2cc([N+](=O)[O-])cn2)cn1)C(F)(F)F 685936634 MLBLAARVUDMOPR-MRVPVSSYSA-N 319.199 1.555 5 40 DDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C1=O 179527 LPJNBUUGOGAAKR-MPZDIEGVSA-N 316.269 1.046 5 40 DDBB COCCNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1 4306326 XYKKQDHKIRFDIA-UHFFFAOYSA-N 322.300 1.908 5 40 DDBB Cc1ccc(Cl)c(OC[C@H](O)Cn2cnc([N+](=O)[O-])n2)c1 97114073 ITPCWOPCLPFUAR-SECBINFHSA-N 312.713 1.588 5 40 DDBB CC(C)(C)c1nnnn1CC(=O)Nc1ccccc1[N+](=O)[O-] 95427872 BOAMZNQQQUXKOR-UHFFFAOYSA-N 304.310 1.518 5 40 DDBB Cc1ccc(NCCNC(=O)Nc2cccc([N+](=O)[O-])c2)nn1 89652358 STDAKJQXZOKSSO-UHFFFAOYSA-N 316.321 1.927 5 40 DDBB NC(=O)[C@@H](CNc1ccncc1[N+](=O)[O-])Cc1ccc(F)cc1 75127648 MINXHJSPBNWEHG-LLVKDONJSA-N 318.308 1.885 5 40 DDBB O=C(NCc1nnc2n1CCC2)Nc1ccccc1[N+](=O)[O-] 24239767 JPCHIIDFWRUDCX-UHFFFAOYSA-N 302.294 1.454 5 40 DDBB CN(C)CCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3887636 AVYJCSLKKCJVJF-UHFFFAOYSA-N 321.786 1.478 5 40 DDBB O=C(c1ccoc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 72288659 CCUFSCUEDOLZSQ-NSHDSACASA-N 302.290 1.909 5 40 DDBB C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[S@@](C)=O 97095543 PHANIIOSRNCOHY-XJZHNMMOSA-N 304.755 1.745 5 40 DDBB O=C(CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4401870 KVFSHEKCEFPSHC-UHFFFAOYSA-N 308.294 1.927 5 40 DDBB C[C@H]1CN(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 20606238 UYOHAZXKVJSVJY-GRYCIOLGSA-N 308.334 1.998 5 40 DDBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN2CCC[C@@H]2C1 24659808 IEXGRVIRSZSVAW-GFCCVEGCSA-N 305.334 1.666 5 40 DDBB CCn1nc(C)c(CN(C)C(=O)c2c([N+](=O)[O-])cnn2C)c1C 2777982 LNDAIMZPPMHKJX-UHFFFAOYSA-N 320.353 1.434 5 40 DDBB CC[C@@H](C)Nc1nc2nc3ccccn3c(=O)c2cc1C(N)=O 4520313 FENVWIVMFNZDRM-SECBINFHSA-N 311.345 1.552 5 40 DDBB Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c2cccnc12 48223973 MHRGAEBZNYLGPQ-UHFFFAOYSA-N 312.289 1.682 5 40 DDBB CCCN1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 97235071 CJVRDCDSJCIDIK-UHFFFAOYSA-N 306.366 1.735 5 40 DDBB O=C(C1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCCC1 32919202 RJJCTNDPNGAGEU-UHFFFAOYSA-N 304.350 1.829 5 40 DDBB CC(C)NS(=O)(=O)c1ccc(N[C@@H](C)CO)c([N+](=O)[O-])c1 32809702 QKBLLXCLWBTROW-VIFPVBQESA-N 317.367 1.074 5 40 DDBB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 36239918 LXSBXBVWLRHDAV-NSHDSACASA-N 323.330 1.266 5 40 DDBB O=C(NN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1[N+](=O)[O-] 139103499 TVARRPZQPCHHLM-AOOOYVTPSA-N 315.285 1.191 5 40 DDBB O=[N+]([O-])c1cc(I)nn1CC(F)F 953061386 LALYGSTXMJASOP-UHFFFAOYSA-N 303.006 1.661 5 40 DDBB C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 11444908 YPSHSSJCQRMQAV-SECBINFHSA-N 322.273 1.353 5 40 DDBB C[C@@H]1COc2ccccc2N1C(=O)CCn1cc([N+](=O)[O-])cn1 72531915 NNNXMFBNUYRRKR-LLVKDONJSA-N 316.317 1.996 5 40 DDBB CN(C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCOCC1 71905379 WHBIRMZYAGPLKV-UHFFFAOYSA-N 307.350 1.435 5 40 DDBB CCN1CCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 69413793 APGICYBANSHEPF-LLVKDONJSA-N 317.349 1.685 5 40 DDBB COC(=O)c1cc(C(=O)NN2CCCCC2)cc([N+](=O)[O-])c1 8137464 LZZQSWKGBCCUOB-UHFFFAOYSA-N 307.306 1.512 5 40 DDBB CC[C@H](CO)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104129995 HFLYXPYAUFJJJI-ZCFIWIBFSA-N 300.227 1.594 5 40 DDBB Nc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n[nH]1 3290957 BWPUBTSMYLABBM-UHFFFAOYSA-N 312.286 1.165 5 40 DDBB Cc1ccn2nc(C(=O)OCc3ccc([N+](=O)[O-])cc3)nc2n1 6510156 YTBMYYUUSJYZNG-UHFFFAOYSA-N 313.273 1.698 5 40 DDBB COC(=O)c1cc(NCCc2nc(C)no2)ccc1[N+](=O)[O-] 71899479 VRWLDYSGLSLNRE-UHFFFAOYSA-N 306.278 1.727 5 40 DDBB O=C1[C@@H](Nc2ncccc2[N+](=O)[O-])CN1c1ccc(F)cc1 95469159 AMQDHQHTDWTKNU-NSHDSACASA-N 302.265 1.956 5 40 DDBB Cc1nc2ccccc2/c(=N/Nc2ccc([N+](=O)[O-])cc2)n1N 36635152 YFRYHSFCAHRPTK-CYVLTUHYSA-N 310.317 1.895 5 40 DDBB O=C(O)CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 3899046 NZFZKMVXWPQWCN-UHFFFAOYSA-N 300.226 1.429 5 40 DDBB Cn1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 72288662 YOJSKJWKOQHKPF-NSHDSACASA-N 316.321 1.050 5 40 DDBB CCN1CCN(c2c([N+](=O)[O-])c(=O)oc3ccccc23)CC1 73635679 HFVLXPYQHHCBLY-UHFFFAOYSA-N 303.318 1.843 5 40 DDBB