smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 84616668 OQHSTFKTERPCKR-UHFFFAOYSA-N 371.758 2.635 5 1 FFBF Cc1cc(C)cc(N2C(=O)CS(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)c1 5924071 OWPWTOYNJIYWPR-KRWDZBQOSA-N 360.391 2.672 5 1 FFBF COc1ccc(CCNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 26278440 HTRVELIMXZNMAF-UHFFFAOYSA-N 367.361 2.626 5 1 FFBF COc1cncc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587264482 GGSIHEHRKSXTRF-QMMMGPOBSA-N 358.314 2.956 5 1 FFBF O=[N+]([O-])c1cnc2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 587006042 ARAOTEOTDPPLFI-UHFFFAOYSA-N 359.143 2.943 5 1 FFBF Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576177 NDWCMTARUUSPSF-QAPCUYQASA-N 367.317 2.737 5 1 FFBF COCCCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 2957475 LDYLOSPDKCFVID-UHFFFAOYSA-N 361.401 2.767 5 3 FFBF CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccccc1[N+](=O)[O-] 621471984 QEJKTBSHBCYYHJ-COOUDCDJSA-N 372.337 2.840 5 1 FFBF Cc1c(-c2nc3cnnc(O)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979668 HTGQVPCDTZMESZ-UHFFFAOYSA-N 350.132 2.705 5 1 FFBF CN1CCc2c(Br)cccc2[C@@]1(C)c1nn(C)cc1[N+](=O)[O-] 963282871 ZJCHBAHVJIZRMZ-HNNXBMFYSA-N 365.231 2.842 5 1 FFBF CSC[C@@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169321942 XRURHDINNOKMIQ-NSHDSACASA-N 360.387 2.747 5 1 FFBF COc1ccc2c(c1)CC[C@](N)(c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)C2 587246031 CNZLBPKTHFKJSO-GOSISDBHSA-N 356.357 2.962 5 1 FFBF CC(=O)[C@@H]1[C@@H]2CC[C@@H]3C[C@H](C)[C@](O)(c4ccccc4)[C@H](C[C@]1(C)O)[N@@+]23C 2356309636 XNIPGJVYVQXXGX-FHFLSQSWSA-N 358.502 2.620 5 1 FFBF C[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 653834946 DXNJXCNMHJJSKV-AWEZNQCLSA-N 353.378 2.582 5 1 FFBF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1cnc([N+](=O)[O-])n1 587622880 IRNPQPGNQDBEBM-UHFFFAOYSA-N 362.147 2.604 5 1 FFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)ncc2[nH]1 587267427 KKICANINPUQQDC-UHFFFAOYSA-N 365.191 2.997 5 1 FFBF Cc1onc(-c2nc3ncccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079206 HYAWVPZYBYEGBO-UHFFFAOYSA-N 359.733 2.728 5 1 FFBF COc1ccc([C@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 5488199 HIJKYNRPWPXDBH-KRWDZBQOSA-N 353.378 2.891 5 3 FFBF COC(=O)[C@@H]1C[C@]23CCC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]34 85991033 KWXHCCIXBUPHTG-FHODUTLASA-N 354.450 2.943 5 1 FFBF O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(F)cc1)[C@@H]([N+](=O)[O-])[C@H]1CCCN12 221598733 GMYLZTVKXGTHHR-FTEYMNFISA-N 367.380 2.880 5 1 FFBF COc1ccc2oc3cc(OC(C)=O)cc(OC)c3c(=O)c2c1OC(C)=O 238766405 RWUNTTDRQYZGMF-UHFFFAOYSA-N 372.329 2.814 5 1 FFBF COC(=O)c1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2n1 587261687 GBTZDVQBHJZCPB-UHFFFAOYSA-N 356.338 2.583 5 1 FFBF C=C1C=C(C(F)F)N2N=C(C(=O)c3coc4cc([N+](=O)[O-])ccc34)NC2=N1 587280134 KPYBEYFPXPWGHQ-UHFFFAOYSA-N 373.275 2.775 5 1 FFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(S)nc(S)nc3[nH]2)c1 587262623 DLOVRKJCLJWMAA-UHFFFAOYSA-N 363.424 2.768 5 1 FFBF O=[N+]([O-])c1ccc(CN2CC[C@H](Nc3ccc(CO)c([N+](=O)[O-])c3)C2)cc1 1857651701 LMTFCUAJVRDCOR-INIZCTEOSA-N 372.381 2.682 5 1 FFBF COc1ccc2c(c1O)-c1c(O)c(OC)cc(CC[N+](C)(C)C)c1C2=O 238786257 QWQMNWJZVQPABZ-UHFFFAOYSA-O 358.414 2.575 5 1 FFBF Cc1ccnc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc12 586924441 AKIMXTMMNNXXFQ-UHFFFAOYSA-N 366.786 2.898 5 1 FFBF O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCSC1CCCCC1 169329686 IWFOTWVRWZSXHR-AWEZNQCLSA-N 354.472 2.990 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1C(=O)O)[C@@H](C2)C3=O 587433059 MRIFSCFZKMDLCL-SUMWQHHRSA-N 355.302 2.790 5 1 FFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(F)c(F)c(F)c2[nH]1 587264589 GNHPDTGMZZXWEO-QMMMGPOBSA-N 352.272 2.837 5 1 FFBF C[C@@H]1CN(C(=O)C(C)(C)C)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 653834983 VDESYJJAKZFYFX-GFCCVEGCSA-N 364.471 2.870 5 1 FFBF COc1cc(OC)c2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc2c1 587268711 BYPMOBJFSZGLGP-UHFFFAOYSA-N 357.322 2.880 5 1 FFBF Cc1c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cccc1[N+](=O)[O-] 587261894 JNZGCZQSALQGKF-UHFFFAOYSA-N 360.395 2.697 5 1 FFBF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586924918 CLTNPAUJKBPGMN-UHFFFAOYSA-N 373.390 2.690 5 1 FFBF COc1cc(O)c2c(=O)c3c(OC)cccc3oc2c1[C@@H](O)CC(C)=O 210007802 SXQGOOXBIHDVEP-JTQLQIEISA-N 358.346 2.682 5 1 FFBF C[C@]1(COc2ccc(-c3ccc(F)cn3)cn2)Cn2cc([N+](=O)[O-])nc2O1 653733809 ZPNFAQOOZKUNDC-QGZVFWFLSA-N 371.328 2.618 5 1 FFBF C[C@H](OC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)C(=O)Nc1cccc([N+](=O)[O-])c1 101851751 SPJWEGXSEYKINW-AVGNSLFASA-N 374.393 2.860 5 1 FFBF Cc1cncc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 587266622 LVYWULINYDQQNA-RFAUZJTJSA-N 372.341 2.617 5 1 FFBF Cc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2n1 587266757 OGOBWDUNMMBSIV-XPTSAGLGSA-N 372.341 2.617 5 1 FFBF CCN(CC)CCNc1ccc2ncn3c4c(O)cccc4c(=O)c1c23 100754478 MHBROARGNJZCTQ-UHFFFAOYSA-N 350.422 2.898 5 1 FFBF C[C@@]1(CN2CCC(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1 653733755 JNVJAQIDMZWIBX-GOSISDBHSA-N 360.389 2.961 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@@H](CN1CCC(c3ccc(F)cc3)CC1)CC2 1772588234 YMLMVYNPYPLNKX-MRXNPFEDSA-N 360.389 2.961 5 1 FFBF COc1ccc([C@H](O)[C@@H]2c3cc4c(cc3CC[N+]2(C)C)OCO4)cc1O 14654191 KHTKKCKZTZMRIS-PMACEKPBSA-O 358.414 2.537 5 1 FFBF O=C(NCCCn1cnc([N+](=O)[O-])n1)c1ccc(-c2ccccc2)cc1 84671991 QFDADQYQJPKKPR-UHFFFAOYSA-N 351.366 2.673 5 1 FFBF CC1=Nc2ncnn2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)/C1=C(\O)OC(C)C 103936925 XEMBFGBYEXDRJJ-MRPLLJTBSA-N 359.342 2.782 5 1 FFBF CCN(C)C(=O)c1cnc(NCCCOC)nc1-c1ccc([N+](=O)[O-])cc1 82150075 CPZJKFPAVBTBMS-UHFFFAOYSA-N 373.413 2.592 5 1 FFBF COCCNc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1[N+](=O)[O-] 587262306 QLPXBFXPMNWUOU-INIZCTEOSA-N 370.369 2.920 5 1 FFBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc[nH]c2[N+](=O)[O-])N1 587752598 SDCVNGLGJWVHRC-KSBSHMNSSA-N 355.167 2.843 5 1 FFBF COC(=O)c1cc2c([N+](=O)[O-])cccc2n(Cc2ccc(OC)cc2)c1=O 1772646864 MUOWZPZIWBIRPN-UHFFFAOYSA-N 368.345 2.753 5 1 FFBF COc1ccc([S@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1OC 73162029 IFYOUIZWPSBSGD-QHCPKHFHSA-N 368.392 2.534 5 1 FFBF O=[N+]([O-])c1cccc(-c2cc(Nc3cccc(P(=O)(O)O)c3)ncn2)c1 169346833 ZATQGCMCRXRALQ-UHFFFAOYSA-N 372.277 2.598 5 1 FFBF C[N+]1(CCCS(=O)(=O)Cc2ccc(Br)cc2)CCCC1 103249166 LSSOLQCSJRTMRM-UHFFFAOYSA-N 361.325 2.994 5 1 FFBF CCCCNc1ncc(C(=O)NCCOC)c(-c2ccc([N+](=O)[O-])cc2)n1 82150066 DHIMWJCOISSXCJ-UHFFFAOYSA-N 373.413 2.640 5 1 FFBF CCCCNc1ncc(C(=O)NCCOC)c(-c2cccc([N+](=O)[O-])c2)n1 82135930 OZUNKYCQVLZFTM-UHFFFAOYSA-N 373.413 2.640 5 1 FFBF O=[N+]([O-])c1c(Br)ccc2nc([C@H](O)C3CCOCC3)[nH]c12 586913867 RKWLULFSIMTHEM-GFCCVEGCSA-N 356.176 2.694 5 1 FFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cnc(C(F)(F)F)[nH]c-2n1 587159528 QKKOTXHSNCHEFO-UHFFFAOYSA-N 357.223 2.950 5 1 FFBF O=c1c2nc([N+](=O)[O-])cn2ccn1CCc1ccc(OC(F)(F)F)cc1 1857571268 IQDSLGOLHDKASB-UHFFFAOYSA-N 368.271 2.546 5 1 FFBF CCc1ccc([C@@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc1 96929449 AYAVLVPFOTVBFA-KRWDZBQOSA-N 357.370 2.553 5 1 FFBF Cn1nc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1[N+](=O)[O-] 962708990 LJGFWEZUFJZFEQ-PIGZYNQJSA-N 362.430 2.920 5 1 FFBF O=c1nc2n(-c3ccc(Cl)cc3)c3c([N+](=O)[O-])cccc3cc-2c(=O)[nH]1 96286457 GGLFTRAUPCFQDK-UHFFFAOYSA-N 368.736 2.740 5 1 FFBF COc1ccc2c(=O)c3cc(C(=O)N[C@H](CO)C(C)C)ccc3oc2c1 95554430 HEVQDFFDQMAEAG-MRXNPFEDSA-N 355.390 2.702 5 1 FFBF COC(=O)c1cc2ccc3c(CCN(C)C)cc(OC)c(O)c3c2c(=O)o1 13359368 XYQHCDPZBXIAGW-UHFFFAOYSA-N 371.389 2.551 5 1 FFBF biogenic C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261499 CBEDDXKGUOFTEI-GRYCIOLGSA-N 371.372 2.548 5 1 FFBF Cc1cc([N+](=O)[O-])c(NCCSCc2ccc(CN(C)C)o2)nn1 1772580785 FUXOILYHKCWHNQ-UHFFFAOYSA-N 351.432 2.693 5 1 FFBF CCN(CC)CCCNc1ccc2nnn3c4ccc(O)cc4c(=O)c1c23 5732887 JQAXADUIRCEBEN-UHFFFAOYSA-N 365.437 2.683 5 1 FFBF Cc1ccc2c(c1)C(=O)N([C@H](CC(=O)O)c1ccccc1[N+](=O)[O-])C2=O 1857632134 SNOUCOXSNDKYSA-OAHLLOKOSA-N 354.318 2.715 5 1 FFBF O=C(Cc1ccc(O)c([N+](=O)[O-])c1)n1ncc2ccc(Cl)cc2c1=O 587653091 PUHLINDHUIQYFJ-UHFFFAOYSA-N 359.725 2.547 5 1 FFBF COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1 587388888 HNBZGCWSLUOPEA-MRXNPFEDSA-N 356.334 2.979 5 1 FFBF CN1CCN(C(=O)c2ccc(SCc3cccnc3)c([N+](=O)[O-])c2)CC1 35405563 RHPUNDHRMPJJGP-UHFFFAOYSA-N 372.450 2.670 5 1 FFBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@](O)(c1nccn1C)C(F)(F)F 587645448 VRIYMWIMIMXJLP-AWEZNQCLSA-N 354.288 2.916 5 1 FFBF O=Cc1ccc(OCCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587566462 NNHSDXMCCZPILH-UHFFFAOYSA-N 356.294 2.813 5 1 FFBF CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)CC1 587649103 PZGGEJWIGKABQT-UHFFFAOYSA-N 359.382 2.800 5 1 FFBF COc1ccc(S(=O)(=O)Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 586921147 ZNZYOZNEJGEAKS-UHFFFAOYSA-N 361.379 2.762 5 1 FFBF Cc1nn(C)c(C)c1-c1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCOCC1 587647923 TWNMZXQJGXASML-UHFFFAOYSA-N 355.398 2.930 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cncnc2[nH]1 587264415 RJZXNZSPGQACMG-VIFPVBQESA-N 357.326 2.612 5 1 FFBF O=[N+]([O-])c1cnc2n1C[C@H](COc1ccc(-c3ccc(F)cc3)nc1)O2 653725597 WEMYBWNTJLJXNO-CQSZACIVSA-N 356.313 2.832 5 1 FFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587270052 JABIUZAGTWORLS-ZDUSSCGKSA-N 351.366 2.598 5 1 FFBF COc1cc(OC[C@@H]2COC(=O)O2)cc2c1c(=O)c1ccccc1n2C 45300754 MADNFKYOWRTNTM-GFCCVEGCSA-N 355.346 2.615 5 1 FFBF COC(=O)[C@H]1C[C@]23CCC[N+]4([O-])CC[C@]5(c6ccccc6N[C@@]15CC2)[C@@H]34 238765745 KWXHCCIXBUPHTG-KSDLINPOSA-N 354.450 2.943 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263158 KIGGHYQDLPTAJE-DVVUODLYSA-N 366.215 2.986 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccn3)cc1)C2 66258999 FYYOJYRZRQPTCA-HNNXBMFYSA-N 352.350 2.831 5 1 FFBF COc1ccc2oc3cc(OCCCO[N+](=O)[O-])cc(O)c3c(=O)c2c1 1857630351 YQRFGENTPHXTFR-UHFFFAOYSA-N 361.306 2.638 5 1 FFBF Cc1cnc(C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)n1CC1CC1 1857769394 AKDBFOIKYGTZCH-AWEZNQCLSA-N 358.398 2.808 5 1 FFBF COC(=O)Cc1cc(O)cc2oc(-c3ccc([N+](=O)[O-])cc3)cc(=O)c12 84653820 KDEUPOBGSWVHOX-UHFFFAOYSA-N 355.302 2.789 5 1 FFBF COc1cc2c3c4c1O[C@@]1(OC)C[C@]4(CC[C@@H]3[N+](C)([O-])CC2)CC[C@H]1O 238760904 QYUOYYHYLYJONM-LQKLFZRJSA-N 361.438 2.548 5 1 FFBF C/C=C1/C[N+](C)([O-])[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC 14649887 SCBWVOFEDKLZRF-XCDQLIKMSA-N 368.433 2.975 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccnc(O)c2[nH]1 587265907 YHBQUCSZUFVMOS-SECBINFHSA-N 372.337 2.923 5 1 FFBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)n(O)c2ccccc2[n+]1=O 377819274 YQCMBCBOWGTODU-UHFFFAOYSA-N 356.314 2.545 5 1 FFBF COc1ccc2c(=O)c3cc(C(=O)N[C@@H](CO)C(C)C)ccc3oc2c1 103228851 HEVQDFFDQMAEAG-INIZCTEOSA-N 355.390 2.702 5 1 FFBF CC(=O)OC[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(C)cc(N)c2O1 587390969 TVVGYMQNNCRXIY-LJQANCHMSA-N 370.361 2.909 5 1 FFBF CNCCOCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21 103254352 GVYZIIUWWXQVNG-UHFFFAOYSA-N 370.409 2.760 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cc3)nc1)C2 66260265 IVKZYCCYHBNVHH-HNNXBMFYSA-N 370.340 2.970 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(F)cc3)nc1)C2 653718483 HMMNOLVEKCARJY-CQSZACIVSA-N 356.313 2.832 5 1 FFBF O=[N+]([O-])c1cncc2nc(C(F)(Br)Br)[nH]c12 587087805 VDSDPYAHTVJCEM-UHFFFAOYSA-N 353.933 2.736 5 1 FFBF CCSCCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719571 FKYUNWPYDFVMHU-ZIAGYGMSSA-N 365.411 2.733 5 1 FFBF COc1ccc2c(=O)c3sc4c(=O)c5ccccc5c(=O)c4c3c(=O)c2c1 1857572771 OTMSEUDLEODRCT-UHFFFAOYSA-N 374.373 2.686 5 1 FFBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])nn2C)N1 587751132 KYPCIGLNNAWACX-UOWDBTKRSA-N 369.194 2.854 5 1 FFBF O=c1nc(O)c2c1c1c3ccc(O)cc3nc1c1nc3cc(O)ccc3c12 2356317422 QIPSSQSLOPOFNQ-UHFFFAOYSA-N 355.309 2.990 5 1 FFBF CCN(CC)CCC[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc2c1=O 26392646 CVIYUTPFXVIXJY-ZDUSSCGKSA-N 374.441 2.677 5 1 FFBF O=C1C[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)CN1Cc1ccc(F)cc1F 587148333 IBBKLCUWAFHTSL-JTQLQIEISA-N 373.319 2.660 5 1 FFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587269430 CJPVYXTXLDHLKC-UHFFFAOYSA-N 366.333 2.747 5 1 FFBF COc1ccc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 4870160 SBOXXAVLXUWGLE-XQQFMLRXSA-N 362.382 2.911 5 1 FFBF Nc1nc(N)c([C@H](C[N+](=O)[O-])c2ccc(F)cc2)c(NC2CCCCC2)n1 299832464 MAEMPSHLLNTDKK-CQSZACIVSA-N 374.420 2.933 5 1 FFBF COc1cc(OC[C@H]2COC(=O)O2)cc2c1c(=O)c1ccccc1n2C 45300756 MADNFKYOWRTNTM-LBPRGKRZSA-N 355.346 2.615 5 1 FFBF Cc1c(Br)cnc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc12 587274711 ZNZWRKWQELEHIB-UHFFFAOYSA-N 365.191 2.766 5 1 FFBF CC1(C)Oc2cc3oc(=O)c4c5ccc(O)cc5oc4c3cc2[C@H](O)[C@H]1O 13408693 QYJUEWQOEZPDIA-FUHWJXTLSA-N 368.341 2.963 5 1 FFBF biogenic,in-vitro Cc1cc(=O)[nH]c2cc(NC(=O)c3c([N+](=O)[O-])cccc3[N+](=O)[O-])ccc12 103272933 SNQPRRUUQXRWRJ-UHFFFAOYSA-N 368.305 2.905 5 1 FFBF COc1cc2c3c(c1)O[C@@](C)(Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H](C2)C3=O 587433095 NKEJABALUSAMPU-UGSOOPFHSA-N 357.366 2.623 5 1 FFBF Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1C 14944728 XCOAPDZSCWKBQI-PEZBUJJGSA-N 369.468 2.890 5 1 FFBF O=[N+]([O-])c1ccc(OCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1F 587148845 DFWSFZQIABMMDB-UHFFFAOYSA-N 357.223 2.950 5 1 FFBF O=[N+]([O-])c1c(Br)ccc2nc(C[S@@](=O)CC3CC3)[nH]c12 586959298 MUFOJZCVVYTNIO-FQEVSTJZSA-N 358.217 2.892 5 1 FFBF O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 43799452 VQXPACRYZRPVFC-HNNXBMFYSA-N 358.266 2.951 5 1 FFBF O=[N+]([O-])c1cc2n(n1)C[C@@H](OCc1ccc(OC(F)(F)F)cc1)CN2 40411621 GFVMHDKZPCGREP-NSHDSACASA-N 358.276 2.701 5 1 FFBF COc1ccc(-n2nc([N+](=O)[O-])c(=NCCC3=CCCCC3)n2O)cc1 263592125 PBNMUEBLXIDDSA-UHFFFAOYSA-N 359.386 2.619 5 3 FFBF Cc1c2ccn([C@H]3OC[C@@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 377819829 WETNUNOIAPCCPU-UIFIKXQLSA-N 364.401 2.916 5 1 FFBF Cn1nnc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1C(F)F 587127925 BZVQXGVGEUMNDF-UHFFFAOYSA-N 373.117 2.967 5 1 FFBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc([N+](=O)[O-])cn1 587871310 FNTNHLCGRYKNSV-UHFFFAOYSA-N 359.317 2.533 5 1 FFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)nn2)c1 587270740 ZVGRJICRLHRADR-UHFFFAOYSA-N 369.272 2.766 5 1 FFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(F)cnc(Cl)c3[nH]2)cc1 586919756 GIDHPWKTKWFNCH-UHFFFAOYSA-N 370.749 2.633 5 1 FFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)ncc2[nH]1 587276245 JOWGOSOXTVJUNF-ZETCQYMHSA-N 351.164 2.629 5 1 FFBF Cc1nccc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 587266161 JBZDXBGNHYNGKT-PSLIRLAXSA-N 372.341 2.617 5 1 FFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(O)cc2[nH]1 587267145 UUFUIIJALQUYJK-AYVTZFPOSA-N 373.325 2.619 5 1 FFBF C[C@@H]1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@]1(Cc1ccccc1)C(=O)O 72118366 IILKWEBABRRDRX-YJYMSZOUSA-N 354.362 2.639 5 1 FFBF CN1CCN(CCCOc2ccc3c(=O)c4ccc(O)cc4oc3c2)CC1 71297004 WTACCMKFRSXSOC-UHFFFAOYSA-N 368.433 2.668 5 1 FFBF COc1cc2nc(CNc3cccc([N+](=O)[O-])c3)nc(N)c2cc1OC 96907512 KXMZJZOTFMNSSC-UHFFFAOYSA-N 355.354 2.750 5 1 FFBF CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857562726 KCQHBSMEOHNKBK-UHFFFAOYSA-N 374.374 2.963 5 1 FFBF OCCCNCc1c2ccccc2c(CNCCCO)c2ccccc12 28761855 CETSRICPAVCPBB-UHFFFAOYSA-N 352.478 2.937 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(C(F)(F)F)cn1)C2 72125949 HBUHOTYHHVXEAQ-ISUDXETCSA-N 370.287 2.696 5 1 FFBF Cc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587269424 BXNKEGPKXXPYCJ-AWEZNQCLSA-N 353.382 2.678 5 1 FFBF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587194183 NWCUZPBGOSVXGT-ZDUSSCGKSA-N 363.418 2.989 5 1 FFBF O=[N+]([O-])c1ccc(Br)cc1-c1ccc2c(O)nc(O)nc2n1 587365053 AFDIBBRMJAOBBD-UHFFFAOYSA-N 363.127 2.774 5 1 FFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(F)cc(C(=O)O)c2[nH]1 587269857 RTVOMDBGWRAETK-UHFFFAOYSA-N 359.269 2.700 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263980 PVGXMOSHNWGUBE-FSDSQADBSA-N 359.279 2.780 5 1 FFBF CS(=O)(=O)c1cc(-c2nc3ccc(O)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586925266 GHSCJYAMYBGDAI-UHFFFAOYSA-N 367.770 2.901 5 1 FFBF COC(=O)C1(C(=O)OC)C/C=C\C/C=C\c2ccccc2[C@@H]1C[N+](=O)[O-] 8682168 QZINBYHRPRNVFU-AMRCGWRHSA-N 359.378 2.743 5 1 FFBF CN(C)CCOC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 169349079 UJFSPWWMVCSPFD-UHFFFAOYSA-N 361.401 2.719 5 1 FFBF COCCOc1ccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)cc1[N+](=O)[O-] 587265735 QWYUILCMGGNJOX-UHFFFAOYSA-N 371.349 2.950 5 1 FFBF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 28820488 DRVREZCNXLUFPX-LBPRGKRZSA-N 359.407 2.986 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263977 PVGXMOSHNWGUBE-DSYKOEDSSA-N 359.279 2.780 5 1 FFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 587265113 CKEOPTONRBNHTH-BJOHPYRUSA-N 357.326 2.913 5 1 FFBF O=C(NCc1cccnc1)c1ccc2nc3ccc(Cl)cc3c(=O)n2c1 2965661 HMXRYLOYOBOVLN-UHFFFAOYSA-N 364.792 2.826 5 1 FFBF O=C(c1cccc([N+](=O)[O-])c1)N1CC(=O)N2CCCc3ccccc3[C@H]2C1 26174971 UFTBSQSFBWCKEC-GOSISDBHSA-N 365.389 2.567 5 1 FFBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H](O)C3CCOCC3)[nH]c12 586913868 RKWLULFSIMTHEM-LBPRGKRZSA-N 356.176 2.694 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263349 LOTIGQBAMVPPAO-GJMOJQLCSA-N 357.197 2.925 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc[nH]c(=N)c2[nH]1 587261273 AHLMLWIOUKLTEY-VIFPVBQESA-N 371.353 2.630 5 1 FFBF COc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1OC 587264026 IYDQDQPSFXBTCH-UHFFFAOYSA-N 358.310 2.987 5 1 FFBF N[C@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 586998066 WYXKAQMZQMKTOB-SNVBAGLBSA-N 362.187 2.871 5 1 FFBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1N1C(=O)c2ccccc2C1=O 587647842 RHBYIMWQMKGPPX-UHFFFAOYSA-N 365.301 2.663 5 1 FFBF COc1ccc2sc3c(N)ccc4c3c(nn4CCNCCO)c2c1 29311718 ATDFIFAORSZYKR-UHFFFAOYSA-N 356.451 2.577 5 1 FFBF COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ncccc2c1 13815805 RLZJNPJCERRTFV-UHFFFAOYSA-N 359.363 2.952 5 1 FFBF O=[N+]([O-])c1cc(Cn2nnc(SCc3ccccc3)n2)cc([N+](=O)[O-])c1 473135487 IONSNHHWKUXXHX-UHFFFAOYSA-N 372.366 2.830 5 1 FFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccnc(Br)c2[nH]1 587270026 HRYLZHYUBBLNRS-JTQLQIEISA-N 362.187 2.871 5 1 FFBF CC(=O)N=[S@@](C)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 60168476 LGNSOLMHFRHBBT-VWLOTQADSA-N 359.359 2.648 5 1 FFBF Cc1cc2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2cc1[N+](=O)[O-] 586953662 XAJQPJDGDPCCJM-UHFFFAOYSA-N 366.443 2.778 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(F)cc3)n1)C2 66258796 YCGXOOIDVMCISN-HNNXBMFYSA-N 370.340 2.970 5 1 FFBF CN(C)CCNC(=O)c1cc2c3cc(O)ccc3n(C)c2c2cccnc12 96921182 HCYFYVWPUKWXCG-UHFFFAOYSA-N 362.433 2.877 5 1 FFBF CN(C)S(=O)(=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587269880 IIHAIFKPSRICMK-UHFFFAOYSA-N 374.422 2.507 5 1 FFBF N[C@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586984518 RXTQZQJMNMDHMN-LLVKDONJSA-N 362.187 2.871 5 1 FFBF COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)=NNC(=S)C2 13555782 RAYWZIUUALCMRL-UHFFFAOYSA-N 357.391 2.838 5 1 FFBF Cc1ncc([N+](=O)[O-])n1CCn1cc(CNc2ccccc2Cl)nn1 653722395 BLVRZGXPXFRSRI-UHFFFAOYSA-N 361.793 2.657 5 1 FFBF Cc1nccc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 587266160 JBZDXBGNHYNGKT-BJOHPYRUSA-N 372.341 2.617 5 1 FFBF O=[N+]([O-])c1ccc([S@@](=O)(=NSC(F)(F)F)N2CCOCC2)cc1 1857586224 GJILLEQDEVCAJZ-HSZRJFAPSA-N 371.362 2.837 5 1 FFBF Nc1ccc2sc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 49783793 HRTGDZLJXMKUKC-UHFFFAOYSA-N 373.419 2.914 5 1 FFBF O=C(O[C@H]1CCCO[C@]12CCCCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 238767876 XUHBFKDGLTWDKH-GOEBONIOSA-N 366.326 2.736 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434254 SCMSBUQIIKJESD-VOJFVSQTSA-N 357.318 2.806 5 1 FFBF NC(=O)N1CCc2sccc2[C@H]1c1cc2oc(=O)ccc2cc1[N+](=O)[O-] 962705332 NDYPAFFMUOJBPP-INIZCTEOSA-N 371.374 2.789 5 1 FFBF O=[N+]([O-])c1cc(-c2nnn(Cc3ccc(Cl)cc3)n2)cc([N+](=O)[O-])c1 1772587893 CDJHVTJOHXZNQX-UHFFFAOYSA-N 360.717 2.858 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)c(Cl)nc3[nH]2)[C@H]1C[N+](=O)[O-] 587265702 XKHAJDDMQQCUAO-PRJMDXOYSA-N 357.197 2.925 5 1 FFBF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 587277178 QDQSVJHMCUFQAP-MRVPVSSYSA-N 363.761 2.911 5 1 FFBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cccnc3[nH]2)CC1 587269436 CASUTUGCZYNXPX-UHFFFAOYSA-N 351.366 2.886 5 1 FFBF COc1ccc(S(=O)(=O)Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 586920108 FATIWTHMXACXKP-UHFFFAOYSA-N 365.342 2.593 5 1 FFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(F)cc(Br)c2[nH]1 587272863 BCEAKHFPKDGSLG-UHFFFAOYSA-N 354.139 2.926 5 1 FFBF O=[N+]([O-])c1ccc(-c2nnc3n2N[C@H](c2ccc([N+](=O)[O-])s2)S3)o1 72178185 IPKFXTHAWSDUKJ-JTQLQIEISA-N 366.340 2.764 5 1 FFBF COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Cl 587263910 PANGWNSPEBFAMR-GUBZILKMSA-N 351.790 2.885 5 1 FFBF CCCc1c2nc(C(=O)O)cc(N(C)C)c2cc2c(=O)cc(C(=O)O)oc12 29242457 QAZSJUYNULLAMP-UHFFFAOYSA-N 370.361 2.756 5 1 FFBF Cn1nc([N+](=O)[O-])cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587275115 VCKBSFUNEZXTRS-UHFFFAOYSA-N 357.555 2.683 5 1 FFBF O=[N+]([O-])c1cc(Br)cc2nc(C[S@](=O)CC3CC3)[nH]c12 586960192 VBKYQZWSLICCOD-HXUWFJFHSA-N 358.217 2.892 5 1 FFBF Cc1c(Br)cnc2[nH]c([C@@H](C)n3cc([N+](=O)[O-])cn3)nc12 587275313 BVEABKZVLLCRTC-SSDOTTSWSA-N 351.164 2.743 5 1 FFBF COc1cc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc([N+](=O)[O-])c1O 963607060 IWFGOPKMGILXRX-MLCYQJTMSA-N 374.393 2.950 5 1 FFBF O=[N+]([O-])c1cc(Br)cc(-c2ccc3c(O)nc(O)nc3n2)c1 587365466 DCKFIDIVMLNBPV-UHFFFAOYSA-N 363.127 2.774 5 1 FFBF O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(Cc3cccs3)c(=O)c12 28655965 KMAKOKCMJADPKV-UHFFFAOYSA-N 359.794 2.707 5 1 FFBF O=[N+]([O-])c1ccc(OC[C@H](O)CCN2CCN(c3ccccc3)CC2)cc1 29487661 DJAUGHZTCPSHFK-LJQANCHMSA-N 371.437 2.547 5 1 FFBF CCOC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1cccc([N+](=O)[O-])c1 28570194 DWSYGPGMZKNMFX-UHFFFAOYSA-N 371.301 2.956 5 1 FFBF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)C(F)(F)C1 587133091 WPCCBVCTCJCUAZ-SECBINFHSA-N 369.328 2.836 5 1 FFBF COC(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587266103 ZPNIIFAZZTZTQC-UHFFFAOYSA-N 356.294 2.757 5 1 FFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)O)c([N+](=O)[O-])c1)O2 587389990 OSEFBJONZMOZEH-INIZCTEOSA-N 372.333 2.655 5 1 FFBF COc1nn([C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1[N+](=O)[O-] 587875892 UUWWEEZQJFVDPC-QMMMGPOBSA-N 373.300 2.810 5 1 FFBF Cc1cnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 587264880 ADUZLRMAWGXLGS-OTYXRUKQSA-N 372.341 2.617 5 1 FFBF Cc1c(O)ccc2c1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N[C@H](C(=O)O)C2 963523329 HDNFKHLWHBSQIG-BBRMVZONSA-N 362.769 2.951 5 1 FFBF CN(C)CCN1CCN(C(=O)c2cnc3c(ccc4ccccc43)c2)CC1 1857556721 MZBVLNZPEIOQHU-UHFFFAOYSA-N 362.477 2.707 5 1 FFBF O=C(NC(=S)/N=c1/[nH]c2cc([N+](=O)[O-])ccc2s1)c1cccs1 49072273 KJRFBNCIZVXXJL-UHFFFAOYSA-N 364.433 2.815 5 1 FFBF O=c1ccc2cc(OCc3cn(-c4cccc([N+](=O)[O-])c4)nn3)ccc2o1 299828544 JUWQXLXNRGKUMT-UHFFFAOYSA-N 364.317 2.861 5 1 FFBF COC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cn1 587245821 ZADYEQGZEYCUAV-UHFFFAOYSA-N 358.270 2.620 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H](C2)C3=O 587431182 CQBFVTLXJBCGSB-GTNSWQLSSA-N 357.318 2.806 5 1 FFBF O=N[C@@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cc([N+](=O)[O-])ccc21 169722196 LRCGKAXJVDYBAO-HNNXBMFYSA-N 373.296 2.955 5 1 FFBF O=C1c2ccoc2CC[C@H]1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586906359 BVZYMJHESICHGL-QMMMGPOBSA-N 356.294 2.960 5 1 FFBF CCn1nc(C)c(C(=O)c2c(C(=O)OC)[nH]c3cccc([N+](=O)[O-])c23)c1C 587647065 DSUNJWKLKNVCIZ-UHFFFAOYSA-N 370.365 2.927 5 1 FFBF CN(C)CCN1CCN(C(=O)c2cnc3ccc4ccccc4c3c2)CC1 1857566891 OJRMNOYVSHPXAL-UHFFFAOYSA-N 362.477 2.707 5 1 FFBF CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1[N+](=O)[O-] 3654327 MWQDMWJURLXJFE-UHFFFAOYSA-N 374.374 2.963 5 1 FFBF CC(C)Nc1ccc([C@@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 15937470 OLPQNUNDLBQIAB-MRXNPFEDSA-N 370.409 2.762 5 3 FFBF CCN(CC)CCOC(=O)c1ccc2nc3ccc(C)cc3c(=O)n2c1 29394892 ORGBBOGXKBWWKD-UHFFFAOYSA-N 353.422 2.655 5 1 FFBF COc1cc([N+](=O)[O-])ccc1-c1nn2c(-c3ccccn3)nnc2s1 70459653 HWRAPAHUHMPABZ-UHFFFAOYSA-N 354.351 2.832 5 1 FFBF O=[N+]([O-])c1cncc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005740 PZCUSUGMDTUWLF-UHFFFAOYSA-N 355.539 2.739 5 1 FFBF O=[N+]([O-])c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587126760 GKERAFZQRUPTNB-UHFFFAOYSA-N 372.284 2.827 5 1 FFBF Cc1nn(C)c(C)c1-c1[nH]c2cccc([N+](=O)[O-])c2c1N1CCOCC1 587647053 DSIDBQMLDSCSFS-UHFFFAOYSA-N 355.398 2.930 5 1 FFBF CC(=O)O[C@@H](c1ncc([N+](=O)[O-])n1C)[C@H](OC(C)=O)c1ccc(C)cc1 40975151 BGQWDFPFZPGIPZ-HZPDHXFCSA-N 361.354 2.545 5 1 FFBF C[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 587275917 HJIXLNVRQFMFTL-YFKPBYRVSA-N 355.127 2.574 5 1 FFBF O=C(O)c1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1F 587091935 JTKVILZWOASVKW-UHFFFAOYSA-N 373.222 2.734 5 1 FFBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc[nH]c2[N+](=O)[O-])N1 587754007 XLSIAXFUHBEYCI-KGFZYKRKSA-N 355.167 2.843 5 1 FFBF CCOc1n[nH]c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1Cl 587065451 QWHAQMASZNEQJG-UHFFFAOYSA-N 352.694 2.822 5 1 FFBF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587230830 NAKDMMZOQBQEIZ-OLZOCXBDSA-N 360.414 2.816 5 1 FFBF COc1c(O)ccc2c1c(=O)n(OC)c1c3cc4c(cc3ccc21)OCO4 2356592669 FRABIBCGGNACMB-UHFFFAOYSA-N 365.341 2.809 5 1 FFBF COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@H]34 33829800 JOAAIYRFWUHKSF-JSNOROLVSA-N 352.434 2.574 5 1 FFBF biogenic,in-vitro COc1cc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc([N+](=O)[O-])c1O 963607062 IWFGOPKMGILXRX-YPMLDQLKSA-N 374.393 2.950 5 1 FFBF O=C(O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081280 WMBKMEBYVWDSPU-JTQLQIEISA-N 361.379 2.655 5 1 FFBF C[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)n1cc([N+](=O)[O-])cn1 587277450 WGDRQPSNNAZIFR-BYPYZUCNSA-N 361.671 2.691 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1cnc(-c3ccc(F)cc3)cn1)CC2 1772604877 IVYBGOAKRJZJOL-ZDUSSCGKSA-N 371.328 2.618 5 1 FFBF O=C(Cc1ccccc1)N[C@H]1CCO[C@H](c2cccc([N+](=O)[O-])c2)OC1 28826715 YJLLGBMBLVHFMH-LPHOPBHVSA-N 356.378 2.758 5 1 FFBF CCN(C)C(=O)c1cnc(NCCCOC)nc1-c1cccc([N+](=O)[O-])c1 82135975 OMVJJMSBNGQPNR-UHFFFAOYSA-N 373.413 2.592 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1cc(C=O)cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O 587434648 XRZAYCQVRGTSCK-SGTLLEGYSA-N 355.302 2.610 5 1 FFBF O=C(NCc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1cccc(C(F)(F)F)c1 587111084 IMIUPUJOYLTFGS-UHFFFAOYSA-N 365.271 2.815 5 1 FFBF Cc1cc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1[N+](=O)[O-] 587653142 QPEZPGGVXSRLFY-UHFFFAOYSA-N 373.752 2.986 5 1 FFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(OCCN(C)C)cc2[nH]1 587267969 KOXFBLHBBUFWKO-UHFFFAOYSA-N 372.429 2.780 5 1 FFBF COc1ccc(-n2nnnc2Sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1772627506 ULKHUHZMFXVJMY-UHFFFAOYSA-N 374.338 2.639 5 1 FFBF Cc1nc2ccc(NCCCN(C)C)c3c(=O)c4cc(O)ccc4n1c23 100896297 NPIFCPFAIPPYAY-UHFFFAOYSA-N 350.422 2.816 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccnc(F)c3)cc1)C2 66263770 RWEQAOMHZVOGCY-HNNXBMFYSA-N 370.340 2.970 5 1 FFBF CN(C)CCn1c(=O)c2cc3c(cc2c2ccc4ncccc4c21)OCO3 71294543 YQCJWJVDPOUQBQ-UHFFFAOYSA-N 361.401 2.993 5 1 FFBF COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1C[C@@H](OC)O[C@H]1O2 2356662839 IWOYVIQOJCFZEP-OPOHFNCPSA-N 356.330 2.855 5 1 FFBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(O)nc(S)nc4[nH]3)c2)c1 587270227 SZSZRIOIMZREIK-UHFFFAOYSA-N 366.362 2.984 5 1 FFBF O=[N+]([O-])c1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1[N+](=O)[O-] 587171333 MPCSSGWVVRPIJR-UHFFFAOYSA-N 374.284 2.976 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1cc(C=O)cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O 587434647 XRZAYCQVRGTSCK-KPZWWZAWSA-N 355.302 2.610 5 1 FFBF COc1ccc2c(c1OC)C[N@@+]1(C)CCc3cc4c(cc3[C@@H]1[C@H]2O)OCO4 299847334 CMFDMPFPVKCSCF-RZUBCFFCSA-N 370.425 2.724 5 1 FFBF COC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C 82082698 XGGPNOWQVAMOPL-ZDUSSCGKSA-N 363.395 2.646 5 1 FFBF CC(=O)NCn1cc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c(=O)o1 28524334 NCJHRWKWYLKBIU-UHFFFAOYSA-N 353.334 2.777 5 1 FFBF Cc1ncc([N+](=O)[O-])n1CCn1cc(CNc2cccc(Cl)c2)nn1 653723637 WEOUHIGBKMIDMG-UHFFFAOYSA-N 361.793 2.657 5 1 FFBF CN[C@H](c1cccnc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587221693 HHEVKBTZOKGEKY-GFCCVEGCSA-N 362.187 2.937 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(N)ccnc2[nH]1 587261862 DJKAUDULEBXIHY-VIFPVBQESA-N 371.353 2.800 5 1 FFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3c(cc2[nH]1)OCCO3 587270005 UWFRZGJQPQRIFG-UHFFFAOYSA-N 355.306 2.634 5 1 FFBF Cc1cc2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc2cc1[N+](=O)[O-] 587225007 MGLDJZKCDTYERF-GFCCVEGCSA-N 354.366 2.863 5 1 FFBF CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](N2Cc3ccccc3C2=O)[C@@H]1O 28770713 XKIDLKHDRRJZBR-HIFRSBDPSA-N 360.391 2.885 5 1 FFBF O=C(Nc1ccc(O)c(Sc2ncn[nH]2)c1)c1ccc([N+](=O)[O-])cc1 96932736 JEQPSDUOQZVNJB-UHFFFAOYSA-N 357.351 2.822 5 1 FFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(F)cnc(Cl)c2[nH]1 587265961 SUUIRSMYOJKKQK-QMMMGPOBSA-N 351.725 2.607 5 1 FFBF Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(-c3ccc(Cl)cc3)c2cc1C 1619730 DBYQBYKIEWYPPF-UHFFFAOYSA-N 366.808 2.854 5 1 FFBF CCOC(=O)c1c2c3ccc(SCCO)c4cccc(c-2nc1=O)c43 71282449 YYKABEBSMSDXGU-UHFFFAOYSA-N 353.399 2.990 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587259099 AHANYDRPVPCFJA-OPRDCNLKSA-N 366.215 2.986 5 1 FFBF Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1 95588321 MYLOZIMRILOZFD-UHFFFAOYSA-N 354.410 2.907 5 1 FFBF COc1ccc2c(c1OC)C[N+]1([O-])CCc3cc4c(cc3[C@@H]1[C@@H]2O)OCO4 14618302 OAZLDYLMBSFNAY-AQFHOAJTSA-N 371.389 2.592 5 1 FFBF biogenic,in-vitro NCCCNCCCNCC(=O)Nc1c2ccccc2cc2ccccc12 169328047 HRXULYQLLKLJGM-UHFFFAOYSA-N 364.493 2.850 5 1 FFBF COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Cl 587263915 PANGWNSPEBFAMR-LPEHRKFASA-N 351.790 2.885 5 1 FFBF CN(C)S(=O)(=O)c1cccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 587270403 NWKFUZYHCBLAND-UHFFFAOYSA-N 374.422 2.507 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1n[nH]c4cc([N+](=O)[O-])ccc14)[C@@H](C2)C3=O 587433052 MMDBWWHHSTZXTG-KPZWWZAWSA-N 351.318 2.968 5 1 FFBF O=C(NCCCN1CCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086341 QMTJVFUNPAXBAG-UHFFFAOYSA-N 360.439 2.934 5 1 FFBF CC1=C(c2ccc3[nH]c(-c4cc([N+](=O)[O-])c(C)o4)nc3c2)NNC(=O)C1 587268815 LEIWTACMDWERJS-UHFFFAOYSA-N 353.338 2.795 5 1 FFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(O)c2[nH]1 587267067 SSHCSMBFSXTYCZ-CLAHSXSESA-N 373.325 2.619 5 1 FFBF CCOC(=O)[C-]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 169730652 RXSWSUHVGGSPKA-HNNXBMFYSA-N 355.326 2.940 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263159 KIGGHYQDLPTAJE-FBIMIBRVSA-N 366.215 2.986 5 1 FFBF CONc1nc2oc3ccc(C(C)C)cc3c(=O)c2cc1-c1nnn[nH]1 27650422 ZQWWRVVBSIHRTH-UHFFFAOYSA-N 352.354 2.618 5 1 FFBF COC(=O)CCOc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccccc1 653717184 WJSGSQPJIHYKCR-UHFFFAOYSA-N 355.350 2.935 5 1 FFBF CC(C)(O)[C@H]1Oc2cc3oc4c5ccc(O)cc5oc(=O)c4c3cc2[C@@H]1O 473137682 ZJBOZZWXWWQLRJ-WMZOPIPTSA-N 368.341 2.963 5 1 FFBF CN(C)S(=O)(=O)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587280410 WHNWYJVPTRRUJL-UHFFFAOYSA-N 374.374 2.822 5 1 FFBF COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2n1 587269421 NKIIUXBZUDARIF-UHFFFAOYSA-N 367.365 2.920 5 1 FFBF COCCNc1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] 587266059 UYCAGAVTVBZDDI-UHFFFAOYSA-N 356.338 2.895 5 1 FFBF O=C(COc1cccc([N+](=O)[O-])c1)n1ncc2ccc(Cl)cc2c1=O 587652434 DRPGRTRQYHSGTL-UHFFFAOYSA-N 359.725 2.677 5 1 FFBF O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccncc3F)SC2)cc1 1772649108 KVABFXYILMLXDK-UHFFFAOYSA-N 356.342 2.746 5 1 FFBF O=C1CCc2cc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3cc2N1 587264295 LAMHECIWSLSJML-UHFFFAOYSA-N 367.321 2.855 5 1 FFBF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 586950870 OUMUNJRKLWYSPX-UHFFFAOYSA-N 361.383 2.683 5 1 FFBF O=C(NCC1CC1)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135338 GTNIEQIQFNPURP-UHFFFAOYSA-N 367.409 2.792 5 1 FFBF COc1cc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260962 MUTGYUCJWLDVHC-UHFFFAOYSA-N 370.365 2.857 5 1 FFBF O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(F)cc1)[C@H]([N+](=O)[O-])[C@@H]1CCCN12 169322059 GMYLZTVKXGTHHR-JRBPQWBISA-N 367.380 2.880 5 1 FFBF Cc1cc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)ccc1[N+](=O)[O-] 61931028 PWOFWKKNVCUABH-UHFFFAOYSA-N 368.349 2.662 5 3 FFBF COC(=O)[C@@H]1C[C@@]23CCC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15CC2)[C@H]34 238762045 KWXHCCIXBUPHTG-SRRBXEMYSA-N 354.450 2.943 5 1 FFBF O=[N+]([O-])C1=Cc2ccccc2O[C@H]1Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 43260259 SDRLCGHALZLVSO-OAHLLOKOSA-N 358.266 2.951 5 1 FFBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])nn2C)N1 587751135 KYPCIGLNNAWACX-WJWGPLDTSA-N 369.194 2.854 5 1 FFBF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N@+]3([O-])C[C@@H]2OC 685935685 STSBYRGOIMMOGC-CXTHYWKRSA-N 359.422 2.830 5 1 FFBF biogenic,in-vitro COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CC(=O)c2c([N+](=O)[O-])cccc21 963612004 RRCXFWGYZXJBEL-GIPWTMENSA-N 368.389 2.976 5 1 FFBF O=c1c([N+](=O)[O-])cc2c(O)cc(-c3ccc([N+](=O)[O-])cc3)oc-2c1[N+](=O)[O-] 169714020 PCBYIYUQJFPDJB-UHFFFAOYSA-N 373.233 2.842 5 1 FFBF Cc1ccc2c(c1)C(=O)N([C@@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1)C2=O 1857750085 DOZBMGYBEICKBR-HNNXBMFYSA-N 354.318 2.715 5 1 FFBF O=C(c1ccc(N2CCOCC2)nc1)c1coc2cc([N+](=O)[O-])ccc12 587280006 YAMSSZBQHCOTBO-UHFFFAOYSA-N 353.334 2.804 5 1 FFBF O=C(NCCOCc1cccc(Cl)c1)c1cc(NO)cc([N+](=O)[O-])c1 1857541992 CTNMHNPBLOOKFW-UHFFFAOYSA-N 365.773 2.996 5 1 FFBF O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1cc2ccccc2c2ccccc12 98209549 ALPWFSMWGPSLIH-UHFFFAOYSA-N 360.369 2.853 5 1 FFBF in-vitro N[C@@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586984519 RXTQZQJMNMDHMN-NSHDSACASA-N 362.187 2.871 5 1 FFBF CN(C)CCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2c[nH]c3nccc-3c21 1857767022 ZLNWOKYEWUNXGK-UHFFFAOYSA-N 365.393 2.843 5 1 FFBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1ccccc1Cl 96929440 ZPSHGOJGRFPMKW-HNNXBMFYSA-N 363.761 2.644 5 1 FFBF O=C(O)CCN(CCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Cc1ccccc1 587193771 PCVGPQXOKDOAKQ-UHFFFAOYSA-N 368.393 2.991 5 1 FFBF O=C(O[C@@H]1CCCO[C@@]12CCCCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2356819409 XUHBFKDGLTWDKH-ZBFHGGJFSA-N 366.326 2.736 5 1 FFBF CCOC(=O)Cc1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587272809 APKFHEUPIJHDFJ-LLVKDONJSA-N 357.370 2.577 5 1 FFBF Cc1ccn2c(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c(C)nc2c1 1772578190 OMZWAQPEHACYJB-UHFFFAOYSA-N 354.366 2.668 5 1 FFBF NC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587268693 BOFMCVQNSJUVRW-UHFFFAOYSA-N 351.366 2.837 5 1 FFBF NS(=O)(=O)c1cccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 587139650 NRSBGEHDIPZXRL-UHFFFAOYSA-N 370.749 2.578 5 1 FFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])cnc2[nH]1 587264191 CYGAJOMZBLDZQE-ZETCQYMHSA-N 373.285 2.856 5 1 FFBF C[C@@H](c1ccccn1)n1nc(O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O 13919740 MQHPWUBVLJTMGV-VIFPVBQESA-N 368.780 2.601 5 1 FFBF CC(C)C[C@H](CO)NC(=O)COc1ccc2c(=O)c3ccccc3oc2c1 103228907 UWNSLXWUHNTLJD-CQSZACIVSA-N 369.417 2.848 5 1 FFBF Cc1cc(C)cc(N2C(=O)CS(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 5924086 OWPWTOYNJIYWPR-QGZVFWFLSA-N 360.391 2.672 5 1 FFBF CN(C)CCN(C)C(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 169349291 HHHOSJFOQVRKIN-UHFFFAOYSA-N 374.444 2.635 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(F)cc3)ccn1)C2 66262919 BTMRIIKBSPNVEK-INIZCTEOSA-N 370.340 2.970 5 1 FFBF C[C@@H](CN(C)C)NC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 169349317 NAZSUSPAXCYQQA-AWEZNQCLSA-N 374.444 2.681 5 1 FFBF CN(C)C(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 95584938 PAJURVZXMOOURE-UHFFFAOYSA-N 372.428 2.779 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)nc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587261426 BOCLLKBLJSGOPI-PRJMDXOYSA-N 357.197 2.925 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@H](COc1ccc(OC(F)(F)F)cc1)C2 115605435 YMBWFCMEEHOGSZ-VIFPVBQESA-N 359.260 2.778 5 1 FFBF C/C=C1/C[N+]2([O-])CC[C@@]34c5ccccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@H]4C(=O)OC 238751339 TZTSOWBLAOOMOT-LQUWVEFNSA-N 354.450 2.599 5 1 FFBF COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 587277179 QDQSVJHMCUFQAP-QMMMGPOBSA-N 363.761 2.911 5 1 FFBF O=C(O)[C@@]1(CCCCCCOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CO1 38494508 TYWWKRFXOIQPHM-OAHLLOKOSA-N 354.315 2.686 5 1 FFBF CCCn1c(=O)c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(O)c2n(CCC)c1=O 40846612 AFHXIAFLVQWNGJ-UHFFFAOYSA-N 372.381 2.592 5 1 FFBF COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc([N+](=O)[O-])c1 587431477 FOJGFQANKAFZLC-KDOFPFPSSA-N 369.329 2.879 5 1 FFBF Cc1c(Br)cnc2[nH]c([C@H](C)n3cc([N+](=O)[O-])cn3)nc12 587275314 BVEABKZVLLCRTC-ZETCQYMHSA-N 351.164 2.743 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(F)nc3)cn1)CC2 1772642947 QEHFTDNMQHKVJK-CYBMUJFWSA-N 371.328 2.618 5 1 FFBF O=C(O)CCn1c(NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 36184969 GOILCBMXEPABQZ-UHFFFAOYSA-N 354.322 2.672 5 1 FFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 587268178 MZUIAOZNPJGKGU-UHFFFAOYSA-N 355.280 2.600 5 1 FFBF COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 587647090 PNDJMYOKYGYZPE-UHFFFAOYSA-N 363.370 2.930 5 1 FFBF Cc1nccc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 587266162 JBZDXBGNHYNGKT-RFAUZJTJSA-N 372.341 2.617 5 1 FFBF Cc1c(-c2ccc3c(O)nc(O)nc3n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 587553378 GZCYTFLVELLZMW-UHFFFAOYSA-N 357.282 2.536 5 1 FFBF COC(=O)c1cc2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2cc1OC 587270091 KANUXUKXOAAVOE-ZDUSSCGKSA-N 370.365 2.509 5 1 FFBF O=C(Nc1cc([N+](=O)[O-])ccc1N1CCNCC1)c1ccccc1Cl 95590206 UDAPACXOKFFESJ-UHFFFAOYSA-N 360.801 2.910 5 1 FFBF Cc1ncc([N+](=O)[O-])n1CCn1cc(COc2ccc(Cl)cc2)nn1 40848211 BAUPOCAQMYTTIQ-UHFFFAOYSA-N 362.777 2.624 5 1 FFBF O=[N+]([O-])c1ccc(OCc2nc3nc(Br)c[nH]c-3n2)cc1F 587151276 RAIUHXDXKZJDPF-UHFFFAOYSA-N 368.122 2.693 5 1 FFBF CN(Cc1cccc([N+](=O)[O-])c1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 13780495 SLAQBNMEUCMGGS-KRWDZBQOSA-N 353.378 2.990 5 1 FFBF COc1cc(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc(OC)c1OC 474607990 LBDLUPJCQMZIKZ-UHFFFAOYSA-N 360.366 2.918 5 1 FFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 587262913 HZNSHLOWHPDPSQ-UHFFFAOYSA-N 353.338 2.983 5 1 FFBF CCc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270873 SMWVIUPOOSZYBE-HNNXBMFYSA-N 367.409 2.932 5 1 FFBF COC(=O)c1ccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2c1 587261151 WENGAUGYRCMWMG-UHFFFAOYSA-N 357.322 2.942 5 1 FFBF COc1ccccc1CC(=O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587929430 JRSFUSZOJMKDIS-UHFFFAOYSA-N 356.294 2.813 5 1 FFBF CCOC(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587271077 ZNOFSVFIEPRPNV-AWEZNQCLSA-N 354.366 2.890 5 1 FFBF NC(=O)c1ccccc1Nc1nc(NCc2cccs2)ncc1[N+](=O)[O-] 64527912 RXGNFKPRUKRICE-UHFFFAOYSA-N 370.394 2.901 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(Cl)c(Cl)cnc3[nH]2)[C@H]1C[N+](=O)[O-] 587265330 WKKGEVHJPXIDST-PRJMDXOYSA-N 357.197 2.925 5 1 FFBF Cc1cc(-c2ccc(NS(C)(=O)=O)cc2)n(-c2ccc([N+](=O)[O-])cn2)n1 29408169 BTSVYUBEBGYCMY-UHFFFAOYSA-N 373.394 2.522 5 1 FFBF COc1c(O)c2c3c4c1cc(O)cc4c(=O)cc-3c1c(O)cccc1c2=O 6403365 NBFGCTIUZOZLHG-UHFFFAOYSA-N 360.321 2.972 5 1 FFBF biogenic Cc1nn(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1[N+](=O)[O-] 587875544 QKVMGCIOOYOMBA-UHFFFAOYSA-N 357.301 2.857 5 1 FFBF O=C1CSc2ccccc2N1Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1 653794541 VIIMWBLHQJNDPX-UHFFFAOYSA-N 367.390 2.814 5 1 FFBF CCOC(=O)Cc1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587268548 DAWDVTDKOHKFRG-UHFFFAOYSA-N 355.354 2.584 5 1 FFBF Cc1ncc([N+](=O)[O-])n1Cc1nnc(-c2cccc(Br)c2)o1 63563397 PXTGNSRKDWOIKH-UHFFFAOYSA-N 364.159 2.961 5 1 FFBF O=[N+]([O-])c1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-] 586925291 YNVSHWIUYRNUCT-SREVYHEPSA-N 374.334 2.824 5 1 FFBF O=c1c2ccc(O)cc2oc2cc(OCCCCO[N+](=O)[O-])cc(O)c12 1857747456 XAUAGKJGDNZJAR-UHFFFAOYSA-N 361.306 2.725 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(OCCN(C)C)cc2[nH]1 587266926 CNQARMBTBKJJKV-GFCCVEGCSA-N 358.402 2.526 5 1 FFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(O)c2[nH]1 587267068 SSHCSMBFSXTYCZ-RMLUDKJBSA-N 373.325 2.619 5 1 FFBF COC(=O)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1[N+](=O)[O-] 587430958 CNOMCHYMDIFXQK-FZKQIMNGSA-N 369.329 2.879 5 1 FFBF COc1ccc(COc2cc([N+](=O)[O-])ccc2NS(C)(=O)=O)cc1 35323999 BUIWNDZJFZOVHC-UHFFFAOYSA-N 352.368 2.554 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(C(F)(F)F)nc1)C2 72124594 FOIBGHSZTQYJCG-NSHDSACASA-N 372.303 2.616 5 1 FFBF N=c1nc(O)c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2[nH]1 587271553 FJYNCVWKRISHLZ-UHFFFAOYSA-N 364.321 2.839 5 1 FFBF O=C1c2ccccc2-c2cc(Cn3cnc([N+](=O)[O-])n3)nc3ccc(O)c1c23 586987856 SSHQMNJDRRXJHV-UHFFFAOYSA-N 373.328 2.700 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccncc3F)cc1)C2 66259922 UMRWPVJWNXNQFQ-AWEZNQCLSA-N 370.340 2.970 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265926 YKHOKSRYLVMEJV-IWSPIJDZSA-N 356.304 2.637 5 1 FFBF CC1=NC(=O)N[C@H](c2ccc([N+](=O)[O-])s2)[C@@H]1C(=O)OC1CCCC1 169719458 QMYVGFBUQGHCND-CHWSQXEVSA-N 351.384 2.984 5 1 FFBF O=c1nc2n(-c3cc(Cl)cc(Cl)c3)c3ccccc3nc-2c(=O)[nH]1 29321206 UKXFQCJOYDGUIS-UHFFFAOYSA-N 359.172 2.881 5 1 FFBF CC1=C(C(=O)Oc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 40567096 SEGORAIRDLPERB-MRXNPFEDSA-N 353.334 2.828 5 1 FFBF O=C(c1ccc([N+](=O)[O-])cc1)N1CC(=O)N2CCCc3ccccc3[C@H]2C1 26174585 WZSCNLAVOAIOAV-GOSISDBHSA-N 365.389 2.567 5 1 FFBF CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccccc1[N+](=O)[O-] 169730666 UBTIAHCMYHTVJS-HOTGVXAUSA-N 356.334 2.981 5 1 FFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)O2 587388844 GXQCUELAFMAOQA-HNNXBMFYSA-N 356.334 2.963 5 1 FFBF O=c1ccc2cc(OCc3cn(-c4ccc([N+](=O)[O-])cc4)nn3)ccc2o1 299830713 PCEJVIDJAWBJTB-UHFFFAOYSA-N 364.317 2.861 5 1 FFBF COC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1CNC(=O)OC(C)(C)C 587646499 CSEHARYMPKOBLC-UHFFFAOYSA-N 363.370 2.816 5 1 FFBF O=[N+]([O-])c1cccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587126707 FVOPOCTTWKMQLL-UHFFFAOYSA-N 372.284 2.827 5 1 FFBF Cc1ccc(NC(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)c([N+](=O)[O-])c1 101852751 MSJFVEKHCHGHIX-CHWSQXEVSA-N 374.393 2.780 5 1 FFBF Cc1cc(N(C)Cc2nc3cccc(C(N)=O)c3[nH]2)c([N+](=O)[O-])cc1F 587136912 KZSMOEJEKOJJTC-UHFFFAOYSA-N 357.345 2.654 5 1 FFBF O=C(CN1C(=O)c2ccccc2C1=O)c1coc2cc([N+](=O)[O-])ccc12 587278904 AYDXJZYBHXRJCK-UHFFFAOYSA-N 350.286 2.820 5 1 FFBF Cn1nc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1[N+](=O)[O-] 962708986 LJGFWEZUFJZFEQ-DIFFPNOSSA-N 362.430 2.920 5 1 FFBF COc1ccccc1CN1CC[C@H](Nc2ccc(CO)c([N+](=O)[O-])c2)C1 1857655063 NUOUMEVKTBUWSP-KRWDZBQOSA-N 357.410 2.782 5 1 FFBF O=C(O)[C@@H]1CS[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)Cc1ccccc1 71296812 DSRWFTMGBCJZCR-DOTOQJQBSA-N 372.402 2.865 5 1 FFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 587119063 WQDLYXQXVBJXAQ-UHFFFAOYSA-N 370.247 2.951 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@H](COCc1ccc(OC(F)(F)F)cc1)C2 68248634 UIPIZMADAJJXSA-NSHDSACASA-N 373.287 2.915 5 1 FFBF O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(CCCc2ccccc2)CC1 13782166 CBUHEWSZFIJEIZ-UHFFFAOYSA-N 367.449 2.914 5 1 FFBF CS(=O)(=O)Nc1ccc2ccc3ncc(NCC4CC4)cc3c(=O)c2c1 101425549 BUMUSMORDMSEBJ-UHFFFAOYSA-N 369.446 2.942 5 1 FFBF CN1CCN2C[C@H](c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc3[C@@H]2C1 39650322 DUFIOWBGBIHQPW-MOPGFXCFSA-N 368.393 2.937 5 1 FFBF O=C(O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587092054 LKWFWUDMBVFXGN-UHFFFAOYSA-N 355.232 2.595 5 1 FFBF CCCS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC1 586955543 QIVOERQYSJFHQO-UHFFFAOYSA-N 366.443 2.699 5 1 FFBF COc1cc2c(cc1OC)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@@+]1(C)[O-] 257621881 XKKFNYKNDDHAQC-IRFCIJBXSA-N 371.389 2.688 5 1 FFBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc[nH]c2[N+](=O)[O-])N1 587752595 SDCVNGLGJWVHRC-KBUNVGBDSA-N 355.167 2.843 5 1 FFBF O=C(O[C@H]1CCCO[C@@]12CCCCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2356819408 XUHBFKDGLTWDKH-HOCLYGCPSA-N 366.326 2.736 5 1 FFBF O=[N+]([O-])c1cn2c(n1)NC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2 40899736 VHAGVXVHVKFGKS-LLVKDONJSA-N 358.276 2.701 5 1 FFBF CN(C)C(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587159172 LDEVWUMNZABAQQ-UHFFFAOYSA-N 358.329 2.891 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Br)cnc2[nH]1 587267780 QRLQWLMMZABRGC-SSDOTTSWSA-N 351.164 2.743 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Cl)c(Cl)cnc3[nH]2)[C@H]1C[N+](=O)[O-] 587265327 WKKGEVHJPXIDST-CSMHCCOUSA-N 357.197 2.925 5 1 FFBF CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1O 27518772 MBWWQPBRAYWCEQ-HZPDHXFCSA-N 360.341 2.737 5 1 FFBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1ccc([N+](=O)[O-])n1 587871627 LJKDKFFNDRLXFP-UHFFFAOYSA-N 359.317 2.533 5 1 FFBF COC(=O)c1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cn1 587262351 PXHVRAHBJXVRKD-UHFFFAOYSA-N 356.338 2.583 5 1 FFBF COc1nccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587264494 GOEBELLNEXFPJD-QMMMGPOBSA-N 358.314 2.956 5 1 FFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)ncnc2[nH]1 587266932 QNGWBIZDZJJWQL-LURJTMIESA-N 363.721 2.996 5 1 FFBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587275039 QTJNWJLFKHPGDK-UHFFFAOYSA-N 367.119 2.542 5 1 FFBF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587041504 WGJJVQREAZDZJQ-JTQLQIEISA-N 351.388 2.849 5 1 FFBF CSc1ccc(NC2=C(c3cccc([N+](=O)[O-])c3)C(=O)NC2=O)cc1 14946032 HKXSAMUAKQJHLQ-UHFFFAOYSA-N 355.375 2.796 5 1 FFBF O=C(O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccc([N+](=O)[O-])cc3)oc12 13526422 XYIGCPSBANXKTB-UHFFFAOYSA-N 370.273 2.904 5 1 FFBF O=C(Oc1cccnc1C(=O)Nc1nccs1)c1ccccc1[N+](=O)[O-] 13521946 MFVSCMSTIWNIIV-UHFFFAOYSA-N 370.346 2.918 5 1 FFBF Cc1c(Br)cnc2[nH]c(CNc3ncccc3[N+](=O)[O-])nc12 587268986 PBRBTWGBSLFEPI-UHFFFAOYSA-N 363.175 2.944 5 1 FFBF COc1cccc2c3c(cnc12)CCN[C@@]3(CO)c1ccc([N+](=O)[O-])cc1 963030835 FOHOKFXDUDLKRN-FQEVSTJZSA-N 365.389 2.533 5 1 FFBF CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ccc([N+](=O)[O-])cn1 13746133 MZPJNZSZBPJMFU-SANMLTNESA-N 371.422 2.549 5 1 FFBF O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2ccc(-[n+]3ccccc3)cc2)cc1 169315868 UBEKWARNIMUGCP-UHFFFAOYSA-N 371.394 2.780 5 1 FFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccnc(Br)c2[nH]1 587277359 UJSGTUQCCXAWBT-ZETCQYMHSA-N 351.164 2.629 5 1 FFBF COc1cc2c3c(c1)O[C@@](C(C)=O)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587434433 VGIRKKHHXOTKCM-KXBFYZLASA-N 353.330 2.835 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1n[nH]c4cc([N+](=O)[O-])ccc14)[C@@H](C2)C3=O 587433053 MMDBWWHHSTZXTG-SGTLLEGYSA-N 351.318 2.968 5 1 FFBF C/C=C1/C[N+]2([O-])CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]32)Nc1cc(OC)ccc14 13309627 CPUGFGPEBLBEKJ-KESQYBAPSA-N 368.433 2.852 5 1 FFBF COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])C[C@@H]2OC 85730883 STSBYRGOIMMOGC-IUEFSSSCSA-N 359.422 2.830 5 1 FFBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)c(C)c1[N+](=O)[O-] 587872349 VUFKSSPMSKPZAZ-UHFFFAOYSA-N 373.344 2.727 5 1 FFBF C[N+](C)([BH2-]C#N)CCCCCCCCCCCCCC[N+](C)(C)[BH2-]C#N 195335795 MZUFEBCKNUTNTB-UHFFFAOYSA-N 362.224 2.950 5 1 FFBF O=C(O)c1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1F 587268857 CAPGNCYDEWEOJX-UHFFFAOYSA-N 368.284 2.556 5 1 FFBF O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(CCCc2ccccc2)CC1 13782167 RBKCNCSBIRWKOL-UHFFFAOYSA-N 367.449 2.914 5 1 FFBF COc1cc2c3c(c1)O[C@](C(C)=O)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587434432 VGIRKKHHXOTKCM-HNAYVOBHSA-N 353.330 2.835 5 1 FFBF Cc1nccc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc12 586927825 WQXYLQWMWLILJC-UHFFFAOYSA-N 366.786 2.898 5 1 FFBF C[C@@H]1O[C@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1NC(=O)Cc1ccccc1 28826593 OPQLHGFJVUCHRY-BOFPYLFWSA-N 356.378 2.756 5 1 FFBF O=[N+]([O-])c1cc(-c2nnnn2Cc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 1772637875 CIBHRUUBKWJZJP-UHFFFAOYSA-N 360.717 2.858 5 1 FFBF CCC1(CC)C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)OC1=O 103212815 SQLHGBJYBLLIMX-KRWDZBQOSA-N 361.442 2.839 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(OC(F)(F)F)c1)C2 82156457 OOPIHEXKZKNPRB-NSHDSACASA-N 359.260 2.668 5 1 FFBF C/C=C1\C[N+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 5132713 MOOPNKBUQLUWAB-HEAHQAFASA-N 369.485 2.959 5 1 FFBF CCOC(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1)n2CCO 103226354 JDHHNMIWQLZHOL-UHFFFAOYSA-N 355.350 2.781 5 1 FFBF COc1c(O)ccc2c(=O)c3c(O)c(CC=C(C)CO)cc(O)c3oc12 2356841119 NEWAZWBAKJZOOA-UHFFFAOYSA-N 358.346 2.553 5 1 FFBF CN(C)CCn1c(=O)c2cc3c(cc2c2ccc4cnccc4c21)OCO3 71295254 BMFDSTXDZLBQEJ-UHFFFAOYSA-N 361.401 2.993 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C2)C3=O 587431276 DCYSQLPOYXYGRG-APPDUMDISA-N 357.318 2.806 5 1 FFBF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587094875 VIPIDAFNNRUUGJ-YFKPBYRVSA-N 361.236 2.509 5 1 FFBF O=[N+]([O-])c1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1Br 587365570 DWRPUWMXMFGZGG-UHFFFAOYSA-N 363.127 2.774 5 1 FFBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc[nH]c2[N+](=O)[O-])N1 587754005 XLSIAXFUHBEYCI-KBUNVGBDSA-N 355.167 2.843 5 1 FFBF N[C@@H](N=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587264515 NCUJGRNQNDMZMQ-HNNXBMFYSA-N 356.298 2.694 5 1 FFBF CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccc(F)cc2)CC1 95592807 BKPPOLBWVUWRTJ-UHFFFAOYSA-N 358.373 2.738 5 1 FFBF Cc1cc2c[nH]nc2cc1-c1cc([N+](=O)[O-])cc2c(=N)c(C(N)=O)c[nH]c12 1857557867 VOJAENQAQVSMMA-UHFFFAOYSA-N 362.349 2.506 5 1 FFBF CN(C)CCNC(=O)c1cccc2nc3cccc(Br)c3nc12 3871308 QCANCQNKYBFYAC-UHFFFAOYSA-N 373.254 2.837 5 1 FFBF in-vitro O=C(CCn1cnc([N+](=O)[O-])n1)Nc1cccc(OCc2ccccc2)c1 1857766934 WSFYJUZUNNZGLH-UHFFFAOYSA-N 367.365 2.794 5 1 FFBF O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@@H](OCC1CC1)CCO2 1857604161 KKZQHEUHUZCJIV-AWEZNQCLSA-N 364.398 2.768 5 1 FFBF Cn1cc2c(=O)c(OCCO)ccc-2c2ccc3cc4c(cc3c21)OCO4 26397000 WOPDLAJRYKEDEF-UHFFFAOYSA-N 363.369 2.896 5 1 FFBF CS(=O)(=O)Nc1ccc2ccc3ncc(-c4cn[nH]c4)cc3c(=O)c2c1 34842324 HIWCCVNCPXCPMR-UHFFFAOYSA-N 366.402 2.510 5 1 FFBF CN1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc21 40422234 PYHPGVYVMUDCJS-GFCCVEGCSA-N 372.303 2.725 5 1 FFBF COc1cccc2oc3cc4c(c(O)c3c(=O)c12)[C@@H]1C[C@@H](O)C[C@](C)(O4)O1 40979616 PYEDKAHYOPGAKC-PDXJJUDESA-N 370.357 2.981 5 1 FFBF in-vitro COc1cc(OC)c2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2c1 587269301 KLKKUXOVFYLPLB-UHFFFAOYSA-N 366.337 2.736 5 1 FFBF CC(=O)O[C@@H](c1ccc(C)cc1)[C@@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C 40975149 BGQWDFPFZPGIPZ-JKSUJKDBSA-N 361.354 2.545 5 1 FFBF Cn1nnnc1Sc1ncnc2scc(-c3ccc([N+](=O)[O-])cc3)c12 36380189 XKMWYIMATZNWHS-UHFFFAOYSA-N 371.407 2.941 5 3 FFBF COC(=O)[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(C)C 473115320 RRFLDXKKAAMOHW-INIZCTEOSA-N 352.390 2.609 5 1 FFBF Cn1c(NCc2ccccc2Cl)nc2cc(C(N)=O)cc([N+](=O)[O-])c21 49031584 FUZJZHKPKNNSCH-UHFFFAOYSA-N 359.773 2.846 5 1 FFBF COc1ccccc1N1CCN(CC[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 13861750 OSWCBMIHTMACBP-IBGZPJMESA-N 371.437 2.849 5 1 FFBF N[C]1C=CC(I)=CN1Cc1ccccc1[N+](=O)[O-] 2356833273 ZZCCPBLTWAUMEB-UHFFFAOYSA-N 356.143 2.691 5 1 FFBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1ccc(Cl)cc1 96929445 VZKCRDMBKDIVKX-OAHLLOKOSA-N 363.761 2.644 5 1 FFBF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586962003 NIXOLVPAPRUSSK-YFKPBYRVSA-N 350.335 2.541 5 1 FFBF COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@H]34 100267387 JOAAIYRFWUHKSF-GHJBAPKJSA-N 352.434 2.574 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccncc3)cc1)C2 66263498 JVCHBIKNDPNJRV-INIZCTEOSA-N 352.350 2.831 5 1 FFBF O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)nn1CC(F)(F)F 587093104 VDJQYHUZKTZADB-UHFFFAOYSA-N 369.259 2.668 5 1 FFBF C/C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)=C1/C=Nc2ccccc21 15933724 DKZCHRUNIMBCHO-RVDMUPIBSA-N 358.379 2.525 5 3 FFBF CC(C)OC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 5963064 DZPAUCCVTKZCTH-UHFFFAOYSA-N 372.786 2.852 5 1 FFBF Cc1ccc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c([N+](=O)[O-])c1 101852745 MSJFVEKHCHGHIX-STQMWFEESA-N 374.393 2.780 5 1 FFBF CCNC(=O)c1ccccc1N1CC=C(c2cccc([N+](=O)[O-])c2)NC1=O 299859032 HGOBGBZIHKAGIR-UHFFFAOYSA-N 366.377 2.915 5 1 FFBF CC[C@H](C)Nc1ncc(C(=O)NCCOC)c(-c2ccc([N+](=O)[O-])cc2)n1 82150292 RJJIBUSRHLDTCG-LBPRGKRZSA-N 373.413 2.638 5 1 FFBF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c([N+](=O)[O-])c3)O2)cc1 45245136 FBUFLQKKJUYYGJ-GOSISDBHSA-N 371.349 2.851 5 1 FFBF O=[N+]([O-])c1cncc2nc(-c3cncc(I)c3)[nH]c12 587185823 XZFNZJLTINYZMG-UHFFFAOYSA-N 367.106 2.533 5 1 FFBF COc1ccc([C@@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 5488223 HIJKYNRPWPXDBH-QGZVFWFLSA-N 353.378 2.891 5 3 FFBF CS(=O)(=O)c1cc(-c2nc3cccnc3[nH]2)cc([N+](=O)[O-])c1Cl 586925683 IAGWVLJWTKBFCR-UHFFFAOYSA-N 352.759 2.590 5 1 FFBF COc1cc([N+](=O)[O-])ccc1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962924446 KFRYKEBCOVYRQO-GOSISDBHSA-N 355.394 2.540 5 1 FFBF CC(=O)N[C@H](CSc1c([N+](=O)[O-])ccc(Cl)c1Cl)C(=O)O 2356815267 UJUNXCWAQHAUJV-SSDOTTSWSA-N 353.183 2.583 5 1 FFBF O=C(c1nc2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1)N1CCOCC1 653803771 XPJWZDFAPTWEGQ-UHFFFAOYSA-N 361.301 2.696 5 1 FFBF O=C1C[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)Oc2c1ccc1c2CCCC1 587511549 HMMCBRBVCBTXDK-HXUWFJFHSA-N 369.373 2.645 5 1 FFBF O=[N+]([O-])c1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)nn1CC(F)(F)F 587092198 SDBIDORCBIRELG-UHFFFAOYSA-N 351.248 2.773 5 1 FFBF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@@H](C)C[C@H](OC)N1C 103216526 PTCRNTLFIVAYCE-FZMZJTMJSA-N 354.838 2.947 5 1 FFBF Cc1nc(C)c(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc1C 28713664 NKLAUNBFWSXUGW-UHFFFAOYSA-N 355.442 2.628 5 1 FFBF C[C@@H](C(N)=O)c1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 95580905 NTHLVSPRDLDFRH-GFCCVEGCSA-N 358.401 2.738 5 1 FFBF COCCOc1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] 587265706 QILJHOCDPCXUTK-UHFFFAOYSA-N 357.322 2.862 5 1 FFBF O=[N+]([O-])c1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586921523 BKJGRBHBUITHPV-UHFFFAOYSA-N 371.418 2.976 5 1 FFBF COc1cc([N+](=O)[O-])ccc1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962924454 KFRYKEBCOVYRQO-SFHVURJKSA-N 355.394 2.540 5 1 FFBF CN1CCc2nc3ccccc3c(NCCCn3ccnc3[N+](=O)[O-])c2C1 29320403 XXJOEOCTNQRZTL-UHFFFAOYSA-N 366.425 2.830 5 1 FFBF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587223769 FWIWVOKYDRCCIM-SNVBAGLBSA-N 358.329 2.694 5 1 FFBF O=C(O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)nc1 621476339 AUFNRGRASMMDKJ-UHFFFAOYSA-N 363.285 2.642 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1cnc(-c3ccc(F)cc3)nc1)CC2 1772630680 KUIFDHZSLHEZLJ-ZDUSSCGKSA-N 371.328 2.618 5 1 FFBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2ccc(Cl)cn12 96939358 QNURASRFZGBYDP-UHFFFAOYSA-N 351.771 2.870 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccnc(Br)c2[nH]1 587267045 DPYKDAOUSCEFJB-ZETCQYMHSA-N 351.164 2.743 5 1 FFBF CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@H](NC(=O)c2ccc(F)cc2)[C@H]1O 13604623 MBWWQPBRAYWCEQ-JKSUJKDBSA-N 360.341 2.737 5 1 FFBF COc1c(-c2ccc3c(O)nc(O)nc3n2)cc(Cl)c(C)c1[N+](=O)[O-] 587368785 OSTLJTZMQDCPNY-UHFFFAOYSA-N 362.729 2.982 5 1 FFBF Cc1ccnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 587267001 RJENFPYBMOXZBE-XPTSAGLGSA-N 372.341 2.617 5 1 FFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(CO)cc2[nH]1 587117117 HIAMNQGCPIPOAQ-UHFFFAOYSA-N 355.276 2.535 5 1 FFBF CCOC(=O)C1=C(CC)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 49112556 HZPOERGFFRQYFC-MRXNPFEDSA-N 374.393 2.956 5 1 FFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(CCO)cc2[nH]1 587117164 HQUXKWNWXBCHMK-UHFFFAOYSA-N 369.303 2.578 5 1 FFBF COc1ccc2c(c1[N+](=O)[O-])[C@@]1(CC2)N[C@H](C(=O)O)Cc2cccc(F)c21 962905507 QGEKVJSDAWLVNJ-DJJJIMSYSA-N 372.352 2.531 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@H]1C[N+](=O)[O-] 587266197 ZCOGKFFQIHOIHS-HLTSFMKQSA-N 367.308 2.545 5 1 FFBF CCN(C)c1ncc(C(=O)N2CCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135501 VENWFWBBNKGAMF-UHFFFAOYSA-N 355.398 2.744 5 1 FFBF Cc1ccnc(NC(=S)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 95571337 IHQUWPFDXNOAOZ-UHFFFAOYSA-N 357.439 2.817 5 1 FFBF Cc1ccnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 587267000 RJENFPYBMOXZBE-OTYXRUKQSA-N 372.341 2.617 5 1 FFBF O=C(NCC1CC1)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148718 UBNSOSPUDVRZCB-UHFFFAOYSA-N 367.409 2.792 5 1 FFBF CCCCCc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N[C@@H]1CCOC1=O 587646674 GQKQNKCFLZOXPE-CYBMUJFWSA-N 359.382 2.854 5 1 FFBF COC(=O)C(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c(C(=O)O)cccc12 587639003 YEJDEBFNLGUKLC-UHFFFAOYSA-N 368.301 2.797 5 1 FFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Br)nc2[nH]1 587275515 DNQMWRDRWZWGLH-SSDOTTSWSA-N 351.164 2.629 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261425 BOCLLKBLJSGOPI-GJMOJQLCSA-N 357.197 2.925 5 1 FFBF Cn1cc([N+](=O)[O-])cc1-n1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21 27101006 WQYXRQKEWJASSL-UHFFFAOYSA-N 365.704 2.728 5 1 FFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587270935 UPIIZFKILZMMTE-JTQLQIEISA-N 372.297 2.530 5 1 FFBF C[C@@]1(COc2ccc(-c3ccc(F)cn3)cn2)Cn2cc([N+](=O)[O-])nc2O1 653733808 ZPNFAQOOZKUNDC-KRWDZBQOSA-N 371.328 2.618 5 1 FFBF O=[N+]([O-])c1cncc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587084563 CNTQRUONCOWTIA-UHFFFAOYSA-N 359.777 2.694 5 1 FFBF CCOCCCCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(=O)OCC 169308230 HIABJSBMLOUDKB-UHFFFAOYSA-N 362.382 2.972 5 1 FFBF Cn1nc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575540 FJDIOPBLYITGBH-CRAIPNDOSA-N 367.317 2.737 5 1 FFBF Cc1ccncc1[C@]1(c2ccc([N+](=O)[O-])cc2)c2nn(C)cc2CCN1C 963955703 RNAYPNFSXDQEJK-HXUWFJFHSA-N 363.421 2.812 5 1 FFBF Cc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1C 587271015 WTCAWWJDTYHBPI-HNNXBMFYSA-N 367.409 2.987 5 1 FFBF O=C1COc2cc3[nH]c(COc4cc(F)ccc4[N+](=O)[O-])nc3cc2N1 587159284 OLRYSXWLTMUBJH-UHFFFAOYSA-N 358.285 2.520 5 1 FFBF CCC(CC)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc21 26725254 JNKMOYYQPFQKAB-UHFFFAOYSA-N 356.382 2.825 5 1 FFBF COc1ccc(Cl)c2c1CCN[C@@]2(C(=O)O)c1ccc([N+](=O)[O-])cc1 963260589 YXQDCWHGRUXYJB-KRWDZBQOSA-N 362.769 2.731 5 1 FFBF O=C(NC(=S)/N=c1/[nH]c2cc([N+](=O)[O-])ccc2s1)c1ccccc1 49088141 CBLSQVQCBSOMQZ-UHFFFAOYSA-N 358.404 2.753 5 1 FFBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc[nH]c1[N+](=O)[O-] 587580792 ZICLYFIHKWZAFB-MLGOLLRUSA-N 353.290 2.726 5 1 FFBF O=[N+]([O-])c1ccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c([N+](=O)[O-])c1 587265091 SSOAVNWYQAVVDM-UHFFFAOYSA-N 368.231 2.731 5 1 FFBF COc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n1 587266378 ZVTUFKGSNSDRQQ-QMMMGPOBSA-N 358.314 2.956 5 1 FFBF Cc1cnc(-c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163630 WPCDBNFYEYCYCP-UHFFFAOYSA-N 367.365 2.852 5 1 FFBF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)C2 587246033 CNZLBPKTHFKJSO-SFHVURJKSA-N 356.357 2.962 5 1 FFBF C[C@H](c1cccnc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O 13553691 SLDAJZRANUSZFZ-SECBINFHSA-N 368.780 2.601 5 1 FFBF C[C@H](CN(C)C)NC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 169349318 NAZSUSPAXCYQQA-CQSZACIVSA-N 374.444 2.681 5 1 FFBF COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc([N+](=O)[O-])c1 587431479 FOJGFQANKAFZLC-RDTXWAMCSA-N 369.329 2.879 5 1 FFBF Cc1cc(Cl)cc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1 29487241 OKKYLJODHARUER-UHFFFAOYSA-N 352.781 2.546 5 1 FFBF CC(=O)Oc1ccc2oc3cccc(OC(C)=O)c3c(=O)c2c1OC(C)=O 14821914 UNLAZTQOYDRUEX-UHFFFAOYSA-N 370.313 2.722 5 1 FFBF biogenic O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 18087515 TYCAMUVZQFDBSO-OZVVPTBGSA-N 352.268 2.925 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccccn3)c1)C2 66263630 FWHGDZALAJYJCY-HNNXBMFYSA-N 352.350 2.831 5 1 FFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Br)cc(F)c2[nH]1 587273396 IBRNWABSNUZILZ-UHFFFAOYSA-N 354.139 2.926 5 1 FFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(F)cnc(Br)c2[nH]1 587273373 HTJORQGZEHLORH-LURJTMIESA-N 369.154 2.768 5 1 FFBF O=c1c2ccc(Cl)cc2oc2ccc(CN3CCN(CCO)CC3)cc12 1857546778 CKERMYPBRFJXAD-UHFFFAOYSA-N 372.852 2.710 5 1 FFBF CC(=O)[C@@H]1[C@@H]2CC[C@@H]3C[C@H](C)[C@](O)(c4ccccc4)[C@H](C[C@]1(C)O)[N@+]23C 2356309635 XNIPGJVYVQXXGX-DMOZLMGCSA-N 358.502 2.620 5 1 FFBF C[n+]1cc2c(O)c(OCCO)ccc2c2ccc3cc4c(cc3c21)OCO4 100828762 WOPDLAJRYKEDEF-UHFFFAOYSA-O 364.377 2.776 5 1 FFBF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@H]1CCO[C@@H]1O4 6017983 RCUCNKLTNYOKIJ-LILOVNGRSA-N 356.330 2.891 5 1 FFBF biogenic Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586940678 BXUOCQZQDAICDW-KTKRTIGZSA-N 372.406 2.870 5 1 FFBF CNC(=S)N(C)CCNC(=O)c1cccc2cc3ccccc3nc12 40424042 PIHYDOFAMMPKAS-UHFFFAOYSA-N 352.463 2.554 5 1 FFBF NC(=O)CCC[C@@H](NCc1c2ccccc2nc2ccccc12)C(=O)O 5615964 QYPSNLDYYPJMPY-GOSISDBHSA-N 351.406 2.586 5 1 FFBF C[N+]1([O-])CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3 14681294 FUWVSQIZKKGXNV-UHFFFAOYSA-N 369.373 2.570 5 1 FFBF C[C@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 72177876 KDBISFICVKOXSE-ONGXEEELSA-N 372.303 2.802 5 1 FFBF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)o1 586932032 SSYMPFUMBBKYSE-UHFFFAOYSA-N 370.774 2.635 5 1 FFBF CCCCCC[C@@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 64549248 VXVHVCKLOCUFFL-LJQANCHMSA-N 350.527 2.951 5 1 FFBF COc1cc(OCc2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1[N+](=O)[O-] 587263366 SCIYITAXDDNFBG-MRXNPFEDSA-N 357.326 2.782 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@H](CN1CCC(c3ccc(F)cc3)CC1)CC2 1772588233 YMLMVYNPYPLNKX-INIZCTEOSA-N 360.389 2.961 5 1 FFBF CCOCCOC(=O)c1c(C(C)C)nn(-c2ccc([N+](=O)[O-])cc2)c1N 40954143 YHVKHYBPWNTSBZ-UHFFFAOYSA-N 362.386 2.679 5 1 FFBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cc(CN3CCNCC3)ccc12 103221432 WKIVRWOQZKYAKL-UHFFFAOYSA-N 365.389 2.773 5 1 FFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)nc2[nH]1 587270884 SRJCSKQMLGHGQE-JTQLQIEISA-N 362.187 2.871 5 1 FFBF COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1O[C@@H](O)C[C@H]41 14715686 ATDWDHGTLHHXNU-PSJAJJEDSA-N 356.330 2.504 5 1 FFBF endogenous,in-man O=[N+]([O-])c1ccc(CN2CC[C@@H](Nc3ccc(CO)c([N+](=O)[O-])c3)C2)cc1 1857651702 LMTFCUAJVRDCOR-MRXNPFEDSA-N 372.381 2.682 5 1 FFBF COC(=O)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1[N+](=O)[O-] 587430944 CNOMCHYMDIFXQK-ACJLOTCBSA-N 369.329 2.879 5 1 FFBF COC(=O)c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-] 587391665 WWFORFRLYDJOKI-HNNXBMFYSA-N 356.334 2.979 5 1 FFBF COc1cc(OCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1[N+](=O)[O-] 587263364 SCIYITAXDDNFBG-INIZCTEOSA-N 357.326 2.782 5 1 FFBF O=c1[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc2n(C2CCCCC2)c1=O 26731133 DQHACVVBVVEAAG-UHFFFAOYSA-N 354.366 2.894 5 1 FFBF CC(=O)N1N=C(Nc2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1OC1=CC=C1 45285669 BFQWDYNHKOTLDK-HNNXBMFYSA-N 371.378 2.979 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587261549 CESBAQJXHBYZMA-VGMNWLOBSA-N 366.761 2.785 5 1 FFBF Cc1ccc2nc(C)c(C(=O)NCCOc3ccccc3[N+](=O)[O-])n2c1 1772640286 LZLQDXAZBREACL-UHFFFAOYSA-N 354.366 2.668 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(F)cc3)no1)C2 45303342 XZUOPFNAEZKLBJ-ZDUSSCGKSA-N 360.301 2.563 5 1 FFBF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587232561 ZOSKMNJWVUPMSG-GHMZBOCLSA-N 364.377 2.647 5 1 FFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(Cl)[nH]c-2n1 587265075 CEWMDWYLAGDUSV-LURJTMIESA-N 363.721 2.947 5 1 FFBF COC(=O)C1=C2Nc3ccccc3[C@]23CC[N+]2([O-])CC[C@H]1[C@H]([C@H](C)OC)[C@H]32 206222444 FCDPRPCHRKAVFH-RDZPGIKVSA-N 370.449 2.549 5 1 FFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)cnc2[nH]1 587267048 DTHUXBOYCQYGLI-UHFFFAOYSA-N 365.191 2.997 5 1 FFBF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1[N+](=O)[O-] 103253091 KAOXCRMXOXAWJO-OAHLLOKOSA-N 356.334 2.558 5 1 FFBF Cc1ccc(S(=O)(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] 103177562 RWVMAGQTBAQAHR-UHFFFAOYSA-N 351.340 2.921 5 1 FFBF C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 33913504 HOIYLJHQHXMJGO-ISOAVKOPSA-N 367.469 2.712 5 1 FFBF CN(C)C(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587148102 ABKQEMJKPJHBKA-UHFFFAOYSA-N 358.329 2.891 5 1 FFBF COc1ccc(C=O)c(OCc2cn([C@H]3C[C@@H]4CC[C@H](C3)[N+]4(C)C)nn2)c1 100597413 IERJVXQMSIONJX-NNZMDNLPSA-N 371.461 2.621 5 1 FFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(F)cc(F)c3[nH]2)cc1 586920418 PWSHHIXSJBTLBU-UHFFFAOYSA-N 353.306 2.723 5 1 FFBF COc1ccc(NC(=O)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N(C)C)cc1 20108192 UMVMIOPSSRLOEX-QGZVFWFLSA-N 373.365 2.574 5 3 FFBF CS(=O)(=O)Nc1ccccc1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586949990 KXZSQBKCBTTXLD-UHFFFAOYSA-N 364.358 2.573 5 1 FFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2c(Cl)c(Br)cnc2[nH]1 587274631 QYMSOOJZJHBRRB-UHFFFAOYSA-N 371.582 2.835 5 1 FFBF O=[N+]([O-])c1cc(-n2nnnc2SCc2ccccc2)cc([N+](=O)[O-])c1 1772581997 HQRCPCNQFXJSHW-UHFFFAOYSA-N 358.339 2.771 5 1 FFBF CN(C)CCOc1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270098 KHIGTFUUZSJXPE-INIZCTEOSA-N 369.425 2.654 5 1 FFBF Cc1cccc(OCc2cn(CCn3c([N+](=O)[O-])cnc3C)nn2)c1C 653725381 MONWRBZFQBVGQG-UHFFFAOYSA-N 356.386 2.587 5 1 FFBF O=[N+]([O-])c1ccn(CCCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)n1 587274445 VXRLDLQGBCHAKR-UHFFFAOYSA-N 355.333 2.625 5 1 FFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cncc(Br)c2[nH]1 587268265 ZHBUDYGDYVMZDZ-UHFFFAOYSA-N 365.191 2.997 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)cnc3[nH]2)[C@H]1C[N+](=O)[O-] 587265278 VLVCBJMPZRXDHC-JEZHCXPESA-N 356.304 2.637 5 1 FFBF COC(=O)[C@@]12COCC[C@H]3[C@@H]1CC[N+](C)([O-])[C@H]3c1c2[nH]c2ccccc12 40393098 OSMMAUUKWDERDD-CUOBZRHHSA-N 356.422 2.634 5 1 FFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 587265118 CKEOPTONRBNHTH-VFZGTOFNSA-N 357.326 2.913 5 1 FFBF Cc1c(Br)cnc2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc12 587276091 IZEMZAXOFAROLK-ZETCQYMHSA-N 365.191 2.937 5 1 FFBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc([N+](=O)[O-])c(C)n1 587871229 DDQNUBIRIREDBT-UHFFFAOYSA-N 373.344 2.841 5 1 FFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc3c(cc2[nH]1)OCO3 587118606 SCKCZVBABAAASV-UHFFFAOYSA-N 369.259 2.772 5 1 FFBF O=[N+]([O-])c1cncc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586967052 PYKOYPUFRHESSE-UHFFFAOYSA-N 355.339 2.603 5 1 FFBF CS(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587149454 SOLQVJMMHYPPOV-UHFFFAOYSA-N 365.342 2.593 5 1 FFBF O=C(O)CCc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O 587936513 KFWPONHOWFNWNW-UHFFFAOYSA-N 371.143 2.576 5 1 FFBF O=[N+]([O-])c1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587007660 CGHZMBINEJCJAT-UHFFFAOYSA-N 359.143 2.943 5 1 FFBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(Br)c(O)c2[nH]1 587267585 ANNGXSJELKSAGF-UHFFFAOYSA-N 364.159 2.946 5 1 FFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(Br)ccnc2[nH]1 587271004 WEMPVLBAFZSVIX-NSHDSACASA-N 362.187 2.871 5 1 FFBF C[C@@H]1O[C@@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1NC(=O)Cc1ccccc1 28826532 OPQLHGFJVUCHRY-IRWQIABSSA-N 356.378 2.756 5 1 FFBF O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 101027924 TYCAMUVZQFDBSO-QQXRRDQMSA-N 352.268 2.925 5 1 FFBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1ccccc1Cl 96929441 ZPSHGOJGRFPMKW-OAHLLOKOSA-N 363.761 2.644 5 1 FFBF O=C(NCCCn1ccnc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 84672185 WZTUBPNJZVZKMC-UHFFFAOYSA-N 358.276 2.510 5 1 FFBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@](C)(Cl)CO)O3 14689046 NJSSDVNYKRNTDP-HNAYVOBHSA-N 359.809 2.691 5 1 FFBF endogenous,in-man COc1ccc(NC(=O)COC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 101485847 SBOXXAVLXUWGLE-JHJVBQTASA-N 362.382 2.911 5 1 FFBF COC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432708 KZFOQHLKMYJASX-BEFAXECRSA-N 355.346 2.893 5 1 FFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587266422 XCOKPSPJINOVOV-QMMMGPOBSA-N 367.287 2.833 5 1 FFBF Cc1ccc(C)c2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 587269936 GKJQBUANWRYPPW-HNNXBMFYSA-N 367.409 2.987 5 1 FFBF CCc1ccc2c(c1)=C(c1ccc([N+](=O)[O-])cc1)NN=C(c1ccccc1)N=2 100566977 GICPNNRUWNETCH-UHFFFAOYSA-N 370.412 2.898 5 3 FFBF Cc1c(Br)cnc2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc12 587276090 IZEMZAXOFAROLK-SSDOTTSWSA-N 365.191 2.937 5 1 FFBF Cc1ncc([N+](=O)[O-])n1CCCCn1cnc2cc(Cl)ccc2c1=O 473113010 FIJWPMVGSPNZDJ-UHFFFAOYSA-N 361.789 2.943 5 1 FFBF CCC1(CC)C[C@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)OC1=O 103212813 SQLHGBJYBLLIMX-QGZVFWFLSA-N 361.442 2.839 5 1 FFBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])n(C)n2)N1 587751200 LENPCFNXUAMMGT-UOWDBTKRSA-N 369.194 2.854 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261366 BOCLLKBLJSGOPI-BWZBUEFSSA-N 357.197 2.925 5 1 FFBF COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC2 1857578710 VUGGEMRDGKPGTM-KRWDZBQOSA-N 359.338 2.755 5 1 FFBF Cc1nc2[nH]c([C@H](C)n3cc([N+](=O)[O-])cn3)nc2cc1Br 587276809 NOBPBNYWPVEDHI-ZETCQYMHSA-N 351.164 2.743 5 1 FFBF O=C(O)c1cc(F)cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587263502 AQGBCUJIKWKBGH-UHFFFAOYSA-N 360.257 2.807 5 1 FFBF COc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(OC)c([N+](=O)[O-])c1 587261118 UVCSPCHWDIKIDC-UHFFFAOYSA-N 369.259 2.916 5 1 FFBF CCSCCOC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719574 FKYUNWPYDFVMHU-KBPBESRZSA-N 365.411 2.733 5 1 FFBF COC(=O)C1=C(C(C)C)NC(=S)N[C@H]1/C=C/c1ccc([N+](=O)[O-])cc1 1857561127 IMXISQYHVNOPRQ-PPGNKHEKSA-N 361.423 2.537 5 1 FFBF COc1cc(-n2ncnc2-c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 49071013 ABRVWEPVYGNRFT-UHFFFAOYSA-N 356.338 2.868 5 1 FFBF C[C@]1(COc2ccc(-c3ccc(F)nc3)cn2)Cn2cc([N+](=O)[O-])nc2O1 653733795 WUSOCHZVSWYYFS-QGZVFWFLSA-N 371.328 2.618 5 1 FFBF Cn1nc(C(F)(F)F)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587119035 WIDJHSWITUPYBX-UHFFFAOYSA-N 356.220 2.799 5 1 FFBF COc1ccccc1N1CCN(CC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 13861749 OSWCBMIHTMACBP-LJQANCHMSA-N 371.437 2.849 5 1 FFBF O=C(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCc1ccccc1 587782216 IYXOKKSLFWEHMB-UHFFFAOYSA-N 356.294 2.665 5 1 FFBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(CC)cc1[N+](=O)[O-] 587871138 BHQQAKGLOJIJJB-UHFFFAOYSA-N 373.344 2.901 5 1 FFBF COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1[N+](=O)[O-])OCO4)[C@@H](C2)C3=O 587431250 CZFBSCABQQIIRH-HXPMCKFVSA-N 369.329 2.995 5 1 FFBF O=[N+]([O-])c1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1F 587093156 WVCSULFHDHXJHB-UHFFFAOYSA-N 374.210 2.944 5 1 FFBF O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccccc3O)SC2)cc1 3911153 AWVSMXVJLVZEOS-UHFFFAOYSA-N 353.363 2.917 5 1 FFBF O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(F)cc1)[C@H]([N+](=O)[O-])[C@H]1CCCN12 221598680 GMYLZTVKXGTHHR-SOAMZJECSA-N 367.380 2.880 5 1 FFBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1cccc(Cl)c1 96929443 AKQDENAMYGMPRF-OAHLLOKOSA-N 363.761 2.644 5 1 FFBF COc1cc(C2=NN(C)[C@H](c3ccc([N+](=O)[O-])o3)C2)cc(OC)c1OC 6378789 UYHSZQLQNVHIOV-LBPRGKRZSA-N 361.354 2.995 5 1 FFBF COc1ccc2c(cc3c4c(cc5c(c42)OCO5)C(=O)C(=O)N3C)c1OC 5996057 TVMABCBARSLKAA-UHFFFAOYSA-N 365.341 2.898 5 1 FFBF biogenic Cc1onc(-c2nc3ccncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079057 FTRLCKWIEBXIPC-UHFFFAOYSA-N 359.733 2.728 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Cl)cnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263348 LOTIGQBAMVPPAO-CSMHCCOUSA-N 357.197 2.925 5 1 FFBF O=[N+]([O-])c1cnc2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 587008391 WBKNBUPXASIZGR-UHFFFAOYSA-N 359.143 2.943 5 1 FFBF CCCCS(=O)(=O)N[C@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)C(C)C 586932581 HLFIWWNKEJKPCC-AWEZNQCLSA-N 354.432 2.888 5 1 FFBF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc([N+](=O)[O-])c2[nH]1 587194670 XMJALXLZMYVOCE-GFCCVEGCSA-N 363.418 2.989 5 1 FFBF COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587646716 IQMYVYGZKALGQE-UHFFFAOYSA-N 363.370 2.930 5 1 FFBF CCOC(=O)CNC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 103299289 ZUBAXURQELHPCA-UHFFFAOYSA-N 367.401 2.785 5 1 FFBF O=C1COc2cc3[nH]c(COc4ccc([N+](=O)[O-])c(F)c4)nc3cc2N1 587148417 GSPHBSWXFWHJLG-UHFFFAOYSA-N 358.285 2.520 5 1 FFBF Cc1nn(Cc2ccccc2-c2nc3cc[nH]c(=N)c3[nH]2)c(C)c1[N+](=O)[O-] 587267822 RREPIDPTFKGUII-UHFFFAOYSA-N 363.381 2.807 5 1 FFBF Cc1cncc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 587266621 LVYWULINYDQQNA-PSLIRLAXSA-N 372.341 2.617 5 1 FFBF CN(Cc1ccccc1[N+](=O)[O-])C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 13780494 VTPYFOKNUIGDKC-INIZCTEOSA-N 353.378 2.990 5 1 FFBF O=c1ccc2cc(OCc3cn(-c4ccccc4[N+](=O)[O-])nn3)ccc2o1 230502702 CTWBJSYFJULQAT-UHFFFAOYSA-N 364.317 2.861 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cn3)cc1)C2 66261967 BFENJCKAYWGGGH-HNNXBMFYSA-N 370.340 2.970 5 1 FFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Br)nc2[nH]1 587275518 DNQMWRDRWZWGLH-ZETCQYMHSA-N 351.164 2.629 5 1 FFBF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1cc([N+](=O)[O-])ccc1O 100025586 KLQQVDKAGDRJSS-WSTOHFRZSA-N 362.338 2.722 5 1 FFBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc[nH]c2[N+](=O)[O-])N1 587754009 XLSIAXFUHBEYCI-KSBSHMNSSA-N 355.167 2.843 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263162 KIGGHYQDLPTAJE-MIMYLULJSA-N 366.215 2.986 5 1 FFBF C[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 653833462 ZOZPOSRZPGOJNI-AWEZNQCLSA-N 368.393 2.973 5 1 FFBF O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2cccc(-[n+]3ccccc3)c2)cc1 169315872 OJRHVXREAIUUPD-UHFFFAOYSA-N 371.394 2.780 5 1 FFBF Cc1csc([C@](O)(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)C(F)(F)F)n1 587094098 JTKOUQBZALCOIU-GFCCVEGCSA-N 373.316 2.624 5 1 FFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 587265116 CKEOPTONRBNHTH-PSLIRLAXSA-N 357.326 2.913 5 1 FFBF COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 13760653 DOKJHXYCSUQRQV-UHFFFAOYSA-N 353.334 2.584 5 1 FFBF Cc1ccc2c(c1)C(=O)N([C@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1)C2=O 1857750086 DOZBMGYBEICKBR-OAHLLOKOSA-N 354.318 2.715 5 1 FFBF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169723654 VVTJQHCRBOHFTD-HOCLYGCPSA-N 360.366 2.779 5 1 FFBF COC(=O)c1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587390867 SCKNRUIREGILRB-MRXNPFEDSA-N 356.334 2.979 5 1 FFBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc[nH]c2[N+](=O)[O-])N1 587752599 SDCVNGLGJWVHRC-UPONEAKYSA-N 355.167 2.843 5 1 FFBF C[C@@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 72177877 KDBISFICVKOXSE-KOLCDFICSA-N 372.303 2.802 5 1 FFBF O=[N+]([O-])c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586921536 BRQJRCMLWHABLU-UHFFFAOYSA-N 371.418 2.976 5 1 FFBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(O)nc(=N)[nH]c2[nH]1 586972308 HASVIZASDRIGDY-UHFFFAOYSA-N 360.399 2.794 5 1 FFBF COc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(OC)c([N+](=O)[O-])c1 587260847 ISGOLUSOATZHNX-UHFFFAOYSA-N 357.322 2.927 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cccc(-c3ccc(F)cc3)n1)C2 72126190 BAXMCINBPOCTBO-ZDUSSCGKSA-N 356.313 2.832 5 1 FFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(F)c(Br)c2[nH]1 587274673 RUFQVNSLYGBUPC-UHFFFAOYSA-N 354.139 2.926 5 1 FFBF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586940680 BXUOCQZQDAICDW-MDZDMXLPSA-N 372.406 2.870 5 1 FFBF CN1C[C@H](OCc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])cc21 40933399 JWDQEQKAGFWDRM-LBPRGKRZSA-N 372.303 2.725 5 1 FFBF CCc1cnc(N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)nc1 66065967 FQTAPCPVPCDVNN-UHFFFAOYSA-N 361.833 2.923 5 1 FFBF Cc1c2c3cc(NC(=O)CNC(=N)N)ccc3nc-2n(C)c2ccccc12 653758631 GZILHCHLZZNBJW-UHFFFAOYSA-N 360.421 2.561 5 1 FFBF COc1cc2cc3c(=O)[nH]c(=O)c=3cc3ccccc3c2c(OC)c1OC 103228575 DBOQOJJZVDYRCM-UHFFFAOYSA-N 363.369 2.792 5 1 FFBF CN1CCN(c2ccc([N+](=O)[O-])c(N(C)C(=O)c3ccccc3)c2)CC1 28955606 DVSZCFAOWMHAIU-UHFFFAOYSA-N 354.410 2.623 5 1 FFBF COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@@H]1O[C@H](O)C[C@H]41 257380588 ATDWDHGTLHHXNU-WBDQVFOSSA-N 356.330 2.504 5 1 FFBF endogenous,in-man CCS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270796 PNFFCVZSUCYNCZ-AWEZNQCLSA-N 374.422 2.507 5 1 FFBF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1CCO[C@@H]1O4 6017979 RCUCNKLTNYOKIJ-WPCRTTGESA-N 356.330 2.891 5 1 FFBF biogenic N[C@@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@H]1c1ccccc1F 587154458 PGXYRDLLYITFEE-FVMDXXJSSA-N 357.301 2.860 5 1 FFBF CN(c1ccc([N+](=O)[O-])cc1OCCc1ccccc1)S(C)(=O)=O 35324681 IGJVBXXGAFENQN-UHFFFAOYSA-N 350.396 2.612 5 1 FFBF O=C(/N=c1\[nH]c2ccccc2n1C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 36184972 MDRTXGAXFNLXEX-HNNXBMFYSA-N 366.377 2.798 5 1 FFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 587265117 CKEOPTONRBNHTH-RFAUZJTJSA-N 357.326 2.913 5 1 FFBF C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 84653449 QVSVEAVMQZLVCJ-JTQLQIEISA-N 351.340 2.543 5 1 FFBF COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@@H]1O[C@@H](O)C[C@@H]41 230076868 ATDWDHGTLHHXNU-FVHKRJICSA-N 356.330 2.504 5 1 FFBF endogenous,in-man O=c1c2cc(O)ccc2oc2cc(OCCCCO[N+](=O)[O-])cc(O)c12 1857746984 NCOXOZZXUNGSIS-UHFFFAOYSA-N 361.306 2.725 5 1 FFBF O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1cccc(Br)c1c2=O 63539524 CSQQBGXAZRAXLV-UHFFFAOYSA-N 372.134 2.601 5 1 FFBF CCn1nc(C)c(C(=O)c2c(C(=O)OC)[nH]c3cc([N+](=O)[O-])ccc23)c1C 587647450 IZBLABCVZGPAEX-UHFFFAOYSA-N 370.365 2.927 5 1 FFBF Cc1cnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 587264882 ADUZLRMAWGXLGS-YMTOWFKASA-N 372.341 2.617 5 1 FFBF COc1ncc(-c2ccc3ncnc(OCCN(C)C)c3c2)cc1[N+](=O)[O-] 1857597751 QIPHPVFENLXJLP-UHFFFAOYSA-N 369.381 2.549 5 1 FFBF Nn1c(CNc2ccccc2F)nnc1SCc1ccc([N+](=O)[O-])cc1 957643990 YKQAIZFZBYGRLZ-UHFFFAOYSA-N 374.401 2.944 5 1 FFBF COC(=O)c1cccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c12 587260790 FNQQLPAMNPLOAZ-UHFFFAOYSA-N 357.322 2.942 5 1 FFBF Cc1ccnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 587266999 RJENFPYBMOXZBE-LKFCYVNXSA-N 372.341 2.617 5 1 FFBF Cc1ccn2c(C(=O)NCCOc3ccccc3[N+](=O)[O-])c(C)nc2c1 1772599086 LCPRJBKJLFDDLO-UHFFFAOYSA-N 354.366 2.668 5 1 FFBF COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3C1)OCO4)[N+](C)([O-])CC2 15219648 JNIPFMUGTLRRJS-VQCQRNETSA-N 355.390 2.624 5 1 FFBF Cc1cc(N(C)Cc2nc3cnc(Cl)[nH]c-3n2)c([N+](=O)[O-])cc1F 587136331 DHRYVTHRQSWCII-UHFFFAOYSA-N 350.741 2.950 5 1 FFBF CCCCCC[C@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 64549247 VXVHVCKLOCUFFL-IBGZPJMESA-N 350.527 2.951 5 1 FFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587264738 JBHJSNYQLFYZQN-LURJTMIESA-N 370.262 2.976 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccnc(-c3ccc(F)cc3)c1)C2 72125165 MLEXMQAJERBXJT-AWEZNQCLSA-N 356.313 2.832 5 1 FFBF COc1cc2c(=O)n([C@@H]3CCNC3)c3c4ccnc-4[nH]cc3c2cc1OC 1857649889 ARRHDJRSGSJIJL-LLVKDONJSA-N 364.405 2.534 5 1 FFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc4ncccc4c3[nH]2)cc1 586920733 PZUCBPFYTCQEGG-UHFFFAOYSA-N 368.374 2.993 5 1 FFBF O=c1[nH]c2cc3ccccc3cc2nc1-c1nnnn1Cc1ccccc1 95570303 ZSBUGLMOARWZII-UHFFFAOYSA-N 354.373 2.778 5 1 FFBF Cc1cncc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 587266623 LVYWULINYDQQNA-VFZGTOFNSA-N 372.341 2.617 5 1 FFBF O=C(O)c1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1F 587265502 VEHVZXITMHXDMN-UHFFFAOYSA-N 360.257 2.807 5 1 FFBF COC(=O)c1ccnc2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc12 587136592 HDPROFKSVLJQOF-UHFFFAOYSA-N 373.344 2.737 5 1 FFBF Cc1cnc(Cc2ccccc2)n1CCNC(=O)c1ccc([N+](=O)[O-])o1 1857771920 FTHSTBZYFNXEEM-UHFFFAOYSA-N 354.366 2.714 5 1 FFBF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1 962920968 NHGXTTHPODFGSR-YOEHRIQHSA-N 355.325 2.904 5 1 FFBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@](O)(c1nccn1C)C(F)(F)F 587645373 SMIUWZZXFQYRDA-CQSZACIVSA-N 354.288 2.916 5 1 FFBF CC1=NC(=O)N[C@@H](c2ccc([N+](=O)[O-])s2)[C@H]1C(=O)OC1CCCC1 169719459 QMYVGFBUQGHCND-STQMWFEESA-N 351.384 2.984 5 1 FFBF COc1ccc2oc(=O)c3c(OC)cc(CN(C)C)c4oc(=O)c1c2c43 69482509 RKEBJJCZAOFMLH-UHFFFAOYSA-N 355.346 2.569 5 1 FFBF biogenic,in-vitro CCn1c(=O)nc2n(-c3ccc(SC)cc3)c3ccccc3nc-2c1=O 1619731 AKXVVDUUHLCSTO-UHFFFAOYSA-N 364.430 2.789 5 1 FFBF CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1O 27518771 MBWWQPBRAYWCEQ-HOTGVXAUSA-N 360.341 2.737 5 1 FFBF O=[N+]([O-])c1cccnc1NCc1nc2c(F)cnc(Br)c2[nH]1 587268640 HQGYCFLGZBVPMS-UHFFFAOYSA-N 367.138 2.775 5 1 FFBF O=[N+]([O-])c1ccc(-n2nnc(C3=NCCN3)c2-c2ccc(Cl)cc2)cc1 1629411 SOCLFZKCXIVUAT-UHFFFAOYSA-N 368.784 2.846 5 1 FFBF C/C=C1/C[N+]2(C)[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 105461659 HOIYLJHQHXMJGO-DTXFTCGTSA-N 367.469 2.712 5 1 FFBF COc1ccc(O)c2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1OCC[C@@H]41 96086679 AIMJKFPGPQLJBZ-WPCRTTGESA-N 356.330 2.891 5 1 FFBF in-vitro O=C(O)CCC(=O)N1NC(c2ccccc2)=C[C@H]1c1cccc([N+](=O)[O-])c1 957892211 VYGGVBBVZGUJAI-KRWDZBQOSA-N 367.361 2.889 5 1 FFBF Cn1c(=O)nc2n(-c3cc(Cl)ccc3Cl)c3ccccc3nc-2c1=O 1619716 JATLMKVSELNNQL-UHFFFAOYSA-N 373.199 2.891 5 1 FFBF Cc1c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cccc1[N+](=O)[O-] 587261775 HUDIORGBLCWOFA-UHFFFAOYSA-N 360.395 2.697 5 1 FFBF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C(F)(F)C1 587131883 FIAMLVREPNPGBQ-QMMMGPOBSA-N 369.328 2.836 5 1 FFBF CCCCc1ccc(N2C(=O)c3cc([N+](=O)[O-])cnc3S2(=O)=O)cc1 1654028 AIIHCWUZVGZGLE-UHFFFAOYSA-N 361.379 2.682 5 1 FFBF O=C1OCC(OCCOC(=O)c2ccccc2[N+](=O)[O-])=C1c1ccccc1 96914277 LXTWYBCNDJELBY-UHFFFAOYSA-N 369.329 2.736 5 1 FFBF Cc1cc(=O)c2c(Cc3cc(=O)cc(O)o3)cc3cc(O)cc(O)c3c2o1 13328253 CHYSJOVJYNCRGE-UHFFFAOYSA-N 366.325 2.915 5 1 FFBF biogenic O=C(N=c1[nH]nc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccncc1 1857577932 DLHGNFVHJDHJBP-UHFFFAOYSA-N 373.419 2.808 5 1 FFBF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1cccc([N+](=O)[O-])c1 28520925 DXAYWHFJUPJZHU-UHFFFAOYSA-N 371.374 2.604 5 1 FFBF CCCCS(=O)(=O)N[C@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)C(C)C 586933607 UJQZDTFSSUOCFC-ZDUSSCGKSA-N 354.432 2.888 5 1 FFBF COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nc(C)n2c31 101446269 LOFMCZTVGPXDFK-UHFFFAOYSA-N 366.421 2.742 5 1 FFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(O)c2[nH]1 587267070 SSHCSMBFSXTYCZ-RTHLEPHNSA-N 373.325 2.619 5 1 FFBF O=C1c2ccccc2-c2cc(Cn3cnc([N+](=O)[O-])n3)nc3cccc1c23 587105337 YXAFBEDTLOIFKG-UHFFFAOYSA-N 357.329 2.994 5 1 FFBF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c([N+](=O)[O-])cncc2[nH]1 587039652 UOMHTUZGUYAGEK-UHFFFAOYSA-N 363.359 2.732 5 1 FFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Br)ccnc2[nH]1 587275636 FDYCONVDBAKNJV-ZETCQYMHSA-N 351.164 2.629 5 1 FFBF Cc1cc(N(C)Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c([N+](=O)[O-])cc1F 587137377 XHTGGHLSRSOKLF-UHFFFAOYSA-N 360.305 2.858 5 1 FFBF COc1cc(OCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1[N+](=O)[O-] 587262556 XDDWMIDYRWUCOQ-UHFFFAOYSA-N 368.349 2.943 5 1 FFBF CC1=NC(=O)N[C@@H](c2ccc([N+](=O)[O-])s2)[C@@H]1C(=O)OC1CCCC1 169719457 QMYVGFBUQGHCND-OLZOCXBDSA-N 351.384 2.984 5 1 FFBF O=c1c2ccccc2[nH]c2nc3sc4nc5ccccc5nc4n3c(=O)c12 49068288 GOPLVDDBHSSRPH-UHFFFAOYSA-N 371.381 2.847 5 1 FFBF COC(=O)N1C[C@@H]([N+](=O)[O-])[C@H](c2ccc(OC)c(OC3CCCC3)c2)C1 29571337 XNOQHNXYNADYBE-LSDHHAIUSA-N 364.398 2.828 5 1 FFBF CC1CCN(c2nc(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3s2)CC1 96910793 JPVJPPBPIYOJAG-UHFFFAOYSA-N 350.356 2.709 5 1 FFBF COc1nc(-c2cccc([N+](=O)[O-])c2)nc(=NCCc2ccc(F)cc2)[nH]1 473162601 DXAUMBVQESAEIP-UHFFFAOYSA-N 369.356 2.671 5 1 FFBF O=[N+]([O-])c1cnc2[nH]c(C(F)(Br)Br)nc2c1 587087600 RWGSGCOVCSNZPL-UHFFFAOYSA-N 353.933 2.736 5 1 FFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587273680 KFIURJXLBOJNMO-SSDOTTSWSA-N 351.269 2.793 5 1 FFBF CCCCN(CCCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-] 13648896 OJBFBTZNLWRYAV-UHFFFAOYSA-N 374.419 2.557 5 1 FFBF O=C(O)c1ccc2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)[nH]c2c1 96906696 GXJJJNLFQCVSSV-UHFFFAOYSA-N 351.274 2.943 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587268032 VXFKJJQLGRIRAV-SSDOTTSWSA-N 351.269 2.907 5 1 FFBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])n(C)n2)N1 587751201 LENPCFNXUAMMGT-WJWGPLDTSA-N 369.194 2.854 5 1 FFBF CC(C)(C)OC(=O)N1C[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C(F)(F)C1 587131882 FIAMLVREPNPGBQ-MRVPVSSYSA-N 369.328 2.836 5 1 FFBF COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC2 1857578711 VUGGEMRDGKPGTM-QGZVFWFLSA-N 359.338 2.755 5 1 FFBF COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c(C(=O)O)cccc12 587637299 AILZEUHPAGXHIT-UHFFFAOYSA-N 368.301 2.797 5 1 FFBF Cn1c(=O)nc2n(-c3ccc(C(F)(F)F)cc3)c3ccccc3nc-2c1=O 29482148 FWFUACYZSQPIPZ-UHFFFAOYSA-N 372.306 2.603 5 1 FFBF COC(=O)[C@@]12COCC[C@H]3[C@@H]1CC[N@+](C)([O-])[C@H]3c1c2[nH]c2ccccc12 255256241 OSMMAUUKWDERDD-ZRWJFXDNSA-N 356.422 2.634 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1cc(OC)cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O 587432222 INQJJTQWDXWVFV-VOJFVSQTSA-N 357.318 2.806 5 1 FFBF COc1ccc2c(c1OC)[C@@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N+]1(C)[O-] 13410130 NKRHOILNOKGLBP-GARIHTGFSA-N 371.389 2.688 5 1 FFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)c(N)cc2[nH]1 587264531 HNFSQSFHCCXZAD-ZETCQYMHSA-N 357.330 2.717 5 1 FFBF CS(=O)(=O)c1ccc2[nH]c(C(=O)O)c(-c3ccccc3[N+](=O)[O-])c2c1 587650603 OUMQUNRRBWFGRU-UHFFFAOYSA-N 360.347 2.845 5 1 FFBF Cn1c(=O)nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3nc-2c1=O 1618223 VWWLDHTZVYONJZ-UHFFFAOYSA-N 373.199 2.891 5 1 FFBF COc1cc(OCc2nc3cc4c(cc3[nH]2)OCCO4)ccc1[N+](=O)[O-] 587261440 BRYYROSKWYOVDK-UHFFFAOYSA-N 357.322 2.830 5 1 FFBF COC(=O)c1cc(Cl)c2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2c1 587268836 LYDXZDSPMRXRFI-UHFFFAOYSA-N 361.745 2.918 5 1 FFBF O=c1[nH]c2cc(-n3cccc3)c([N+](=O)[O-])cc2n(C2CCCCC2)c1=O 26725260 HPVMDYKMGBSCHI-UHFFFAOYSA-N 354.366 2.894 5 1 FFBF O=C1NC(=O)c2c1c1[nH]cnc1c1[nH]c3cc(Br)ccc3c21 15263528 KBJRYQFFLQATPK-UHFFFAOYSA-N 355.151 2.844 5 1 FFBF biogenic N[C@@H](CCc1nc2ccc(F)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269571 FJWDPPPTCYNJHK-ZDUSSCGKSA-N 357.345 2.509 5 1 FFBF O=c1c2cc(Cl)ccc2nc2c3ccccc3c(N3CCOCC3)nn12 1772579304 LDVUJFJNNLEACS-UHFFFAOYSA-N 366.808 2.886 5 1 FFBF CN(C)CCn1c(=O)c2ccccc2c2cnc3cc4c(cc3c21)OCO4 26378743 VQCHFJRXJSKXIJ-UHFFFAOYSA-N 361.401 2.993 5 1 FFBF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 28820531 VBOMTPIHFSQCEG-GFCCVEGCSA-N 359.407 2.986 5 1 FFBF CCCCC(=O)[C@H](C)Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-] 27198483 ZTXAOHWTXDMZFG-VIFPVBQESA-N 353.379 2.700 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(Br)nc2[nH]1 587267767 QKJKXMWWAHVABX-ZETCQYMHSA-N 351.164 2.743 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1cc4c(cc1[N+](=O)[O-])OCCO4)[C@@H](C2)C3=O 587431904 IDCPPQUZZMYBNA-HXPMCKFVSA-N 369.329 2.863 5 1 FFBF COc1cc(O)c2c(=O)c3c(OC)cccc3oc2c1[C@H](O)CC(C)=O 2356523491 SXQGOOXBIHDVEP-SNVBAGLBSA-N 358.346 2.682 5 1 FFBF O=C(CN1[CH]C=CC=C1)c1ccc(I)c([N+](=O)[O-])c1 2356865159 TXBZEJGFUXRCQC-UHFFFAOYSA-N 369.138 2.929 5 1 FFBF Cc1ccc(S(=O)(=O)c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1 95771607 ADMZGDNRPMBWFE-UHFFFAOYSA-N 358.375 2.588 5 1 FFBF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586971955 CDFBIQLEDOSPII-AWEZNQCLSA-N 371.422 2.977 5 1 FFBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ncc[nH]c-2n1 587057444 WTKQYPXXGJCTFH-GFCCVEGCSA-N 374.788 2.993 5 1 FFBF O=[N+]([O-])c1cccc2nc(-c3nccnc3I)[nH]c12 587186841 WOGLXABYAUDMSV-UHFFFAOYSA-N 367.106 2.533 5 1 FFBF COC(=O)c1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cn1 587136938 LQEHHTUCIHXGDY-UHFFFAOYSA-N 373.344 2.737 5 1 FFBF COc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1OC 587092580 RWIFXXWMXQIGKF-UHFFFAOYSA-N 371.275 2.914 5 1 FFBF O=[N+]([O-])c1cnc2n1C[C@H](OCc1ccc(OC(F)(F)F)cc1)CO2 40950030 ACVGNGZYVUICAG-NSHDSACASA-N 359.260 2.668 5 1 FFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccnc(Br)c2[nH]1 587267133 FVGANKYKURNKMS-UHFFFAOYSA-N 365.191 2.997 5 1 FFBF C[C@]12Cc3cc4c(cc3[C@]1(c1ccc([N+](=O)[O-])cc1)OCCO2)OCO4 1663114 CTDADBHYUADXAE-OALUTQOASA-N 355.346 2.929 5 1 FFBF Cc1ccc(S(=O)(=O)Cc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3199857 QFJREYKOBQIKFE-UHFFFAOYSA-N 354.315 2.924 5 3 FFBF C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])cc2O1 653743805 YJGZUNOEFKSPJH-CYBMUJFWSA-N 359.260 2.920 5 1 FFBF Nc1ncc(Cl)nc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587088155 SWALPECJOXSBBN-UHFFFAOYSA-N 369.566 2.926 5 1 FFBF O=C1CC=C(c2nc3cccc([N+](=O)[O-])c3[nH]2)NN1Cc1ccc(F)cc1 587162968 DWHQFLRTDKRTBB-UHFFFAOYSA-N 367.340 2.888 5 1 FFBF O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCSCc1ccccc1 169346444 FFNJTKBGIAURHR-MRXNPFEDSA-N 362.451 2.858 5 1 FFBF O=C1C[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)CN1Cc1ccc(F)cc1F 587149167 MGRPYBNUSHWRAC-SNVBAGLBSA-N 373.319 2.660 5 1 FFBF O=C1OCC(OCCOC(=O)c2cccc([N+](=O)[O-])c2)=C1c1ccccc1 96914280 DVNUDFCNLINBHW-UHFFFAOYSA-N 369.329 2.736 5 1 FFBF CN[C@@H](c1cccnc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587224216 QQPDZGREKAGJIM-NSHDSACASA-N 362.187 2.937 5 1 FFBF O=[N+]([O-])c1ccc(OC[C@@H](O)CCN2CCN(c3ccccc3)CC2)cc1 29487658 DJAUGHZTCPSHFK-IBGZPJMESA-N 371.437 2.547 5 1 FFBF C/C=C1/C[N+]2(C)CC[C@]34c5ccccc5N(C)[C@H]3[C@H](C(=O)OC)[C@H]1C[C@@H]42 238742210 HAVDUJCAGJKCSW-IOKKBDPXSA-N 353.486 2.731 5 1 FFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc([N+](=O)[O-])c2[nH]1 587264948 KKXFJFGEVNZPML-ZETCQYMHSA-N 373.285 2.856 5 1 FFBF COCCOc1ccncc1C(=O)Nc1nsc2ccc([N+](=O)[O-])cc12 653745156 URVZEKWMTITELM-UHFFFAOYSA-N 374.378 2.877 5 1 FFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587273390 HZFOELLCGDZRRK-JTQLQIEISA-N 355.333 2.796 5 1 FFBF O=C(NCc1nc2cncc([N+](=O)[O-])c2[nH]1)c1cccc(C(F)(F)F)c1 587112908 WITPLYHWJVPDPH-UHFFFAOYSA-N 365.271 2.815 5 1 FFBF COc1ccc(C2=Nn3c(nnc3-c3ccc([N+](=O)[O-])o3)SC2)cc1 72177527 QRMRXXDQSPPUCZ-UHFFFAOYSA-N 357.351 2.813 5 1 FFBF COC(=O)[C@H]1C[C@@]23CCC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15CC2)[C@H]34 238732093 KWXHCCIXBUPHTG-PIDAVBACSA-N 354.450 2.943 5 1 FFBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc[nH]c2[N+](=O)[O-])N1 587754011 XLSIAXFUHBEYCI-UPONEAKYSA-N 355.167 2.843 5 1 FFBF O=[N+]([O-])c1ccc(Cn2cc(COc3cccc([N+](=O)[O-])c3)nn2)cc1 653786016 QOWWZBZWDGBVCL-UHFFFAOYSA-N 355.310 2.722 5 1 FFBF Cn1nnnc1Sc1ncnc2scc(-c3cccc([N+](=O)[O-])c3)c12 36380188 URTIUFLCVLTOTA-UHFFFAOYSA-N 371.407 2.941 5 1 FFBF Cc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2n1 587266755 OGOBWDUNMMBSIV-LKFCYVNXSA-N 372.341 2.617 5 1 FFBF COC(=O)Cc1ccccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587782921 AIEGQPSUZNWNBU-UHFFFAOYSA-N 356.294 2.762 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587268036 VXFKJJQLGRIRAV-ZETCQYMHSA-N 351.269 2.907 5 1 FFBF COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434308 SPSIOFJFIIZYPI-BUXKBTBVSA-N 371.345 2.980 5 1 FFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cnc2[nH]1 587270574 NOYOTTVSVWLOJZ-NSHDSACASA-N 362.187 2.871 5 1 FFBF COc1c(Cl)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@]1(O)C=CO[C@@H]1O4 13374598 SHQCFFLCIPXBLN-QZTJIDSGSA-N 374.732 2.764 5 1 FFBF biogenic C[C@@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)N1CCSCC1 43195999 ZMXYDUSRRWUQKE-FQEVSTJZSA-N 363.547 2.733 5 1 FFBF COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587432892 MGTQIWOOQBCIHH-ACJLOTCBSA-N 369.329 2.879 5 1 FFBF COc1cc2c(=O)c3c(OC(C)=O)cccc3oc2c(OC(C)=O)c1OC 685935716 YHFAISBLADRSAL-UHFFFAOYSA-N 372.329 2.814 5 1 FFBF biogenic,in-vitro Cc1cncc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 587266620 LVYWULINYDQQNA-BJOHPYRUSA-N 372.341 2.617 5 1 FFBF COCCOc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1[N+](=O)[O-] 587264729 ITKQCUSKYDDMMW-UHFFFAOYSA-N 357.322 2.892 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1n[nH]c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O 587432269 IWYFUZLOYRWUGU-KPZWWZAWSA-N 351.318 2.968 5 1 FFBF CS(=O)(=O)Nc1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 586951266 VGWNALUYRCGRAE-UHFFFAOYSA-N 350.331 2.649 5 1 FFBF CS(=O)(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587159709 VEIJGJNUIIWYRN-UHFFFAOYSA-N 365.342 2.593 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@H](COCc1ccc(OC(F)(F)F)cc1)C2 115603104 PVASYGHYWPVDDY-NSHDSACASA-N 359.260 2.668 5 1 FFBF CC(=O)Oc1cc2oc3ccccc3c(=O)c2c(OC(C)=O)c1OC(C)=O 14821857 JQKMQRRVNRUSRZ-UHFFFAOYSA-N 370.313 2.722 5 1 FFBF biogenic O=C(c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCC1 82135379 XGGUDXYTASPKLI-UHFFFAOYSA-N 367.409 2.888 5 1 FFBF CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C1 84713185 ABTGFTBYCBMENI-UHFFFAOYSA-N 373.409 2.681 5 1 FFBF COC(=O)[C@@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6[N+](C)([O-])[C@@]15CC2)[C@H]43 238755938 VXCJWEYOWWILOX-IHFVOQJJSA-N 368.477 2.953 5 1 FFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587274991 PHXLZICRYLNVDJ-UHFFFAOYSA-N 358.102 2.912 5 1 FFBF COC(=O)c1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587265495 UXXUDDFWOBWYBM-UHFFFAOYSA-N 356.294 2.757 5 1 FFBF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)C(F)(F)C1 587133092 WPCCBVCTCJCUAZ-VIFPVBQESA-N 369.328 2.836 5 1 FFBF C/C=C1/C[N+](C)([O-])[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC 14649883 SCBWVOFEDKLZRF-DNCPOOLFSA-N 368.433 2.975 5 1 FFBF COc1cccc2oc3cc(OCCCO[N+](=O)[O-])cc(O)c3c(=O)c12 1857748377 HMJMKAGZSWQCJP-UHFFFAOYSA-N 361.306 2.638 5 1 FFBF COc1cccc2c3c(cnc12)CCN[C@]3(CO)c1ccc([N+](=O)[O-])cc1 963030837 FOHOKFXDUDLKRN-HXUWFJFHSA-N 365.389 2.533 5 1 FFBF CC[C@@H]1[C@H]2[C@]34CC[N+]2([O-])CC[C@H]1C(C(=O)OC)=C3Nc1c(OC)cccc14 36378817 JTSRXZFJQAYPGA-FEGBVRAISA-N 370.449 2.932 5 1 FFBF O=[N+]([O-])c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587091709 MYVWEZUWPWYDHE-UHFFFAOYSA-N 356.220 2.805 5 1 FFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)O)c([N+](=O)[O-])c1)O2 587389992 OSEFBJONZMOZEH-MRXNPFEDSA-N 372.333 2.655 5 1 FFBF O=c1c2cc([N+](=O)[O-])ccc2nc(C2CCNCC2)n1-c1ccccc1 169302662 CTCRBNPKVHLFEZ-UHFFFAOYSA-N 350.378 2.761 5 1 FFBF C[C@@H](CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12)N(C)C 169349319 DIHLEIRADLVBRW-AWEZNQCLSA-N 374.444 2.681 5 1 FFBF CCOC(=O)CNc1nc(Nc2ccc(Cl)cc2)ncc1[N+](=O)[O-] 117526368 JIKKDAGIKZWTDL-UHFFFAOYSA-N 351.750 2.757 5 1 FFBF CCCCC(=O)[C@@H](C)Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-] 27198479 ZTXAOHWTXDMZFG-SECBINFHSA-N 353.379 2.700 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(F)cc3)nc1)C2 72122769 JTNDNIZVPRVAJH-AWEZNQCLSA-N 356.313 2.832 5 1 FFBF COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1 587388885 HNBZGCWSLUOPEA-INIZCTEOSA-N 356.334 2.979 5 1 FFBF COC(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c12 587263600 WFVWEOWGDDPPEL-UHFFFAOYSA-N 357.322 2.845 5 1 FFBF COC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CNC(=O)OC(C)(C)C 587646540 FSUTYBUEKBXMCR-UHFFFAOYSA-N 363.370 2.816 5 1 FFBF CN(C)C(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587264954 QPLKWWYTKRTMBK-UHFFFAOYSA-N 369.337 2.672 5 1 FFBF N[C@@H](N=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587270393 WYYHEPANHYLZCK-INIZCTEOSA-N 355.310 2.586 5 1 FFBF Cc1ccc(CN=c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)n2O)cc1 263591995 GCDPIEJBODGGLR-UHFFFAOYSA-N 359.773 2.882 5 3 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] 587259102 AHANYDRPVPCFJA-UTLUCORTSA-N 366.215 2.986 5 1 FFBF N[C@@H](N=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587091260 CPYBGYIESPDKNC-NSHDSACASA-N 369.263 2.621 5 1 FFBF COC(=O)[C@@H](C)NC(=O)c1cc2c(ccc3oc4ccccc4c32)oc1=O 73197232 JQMKSGHDBCSHNU-SNVBAGLBSA-N 365.341 2.984 5 1 FFBF Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 103199896 QENYTSXOBFFWLC-UHFFFAOYSA-N 359.260 2.952 5 1 FFBF O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)c(NCCCO)n2)cc1 3767052 XKFNMOSZXYYFKG-UHFFFAOYSA-N 351.366 2.908 5 3 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265699 XKHAJDDMQQCUAO-GJMOJQLCSA-N 357.197 2.925 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1cccc(-c3ccc(F)nc3)n1)CC2 1772633144 FCEJQISTJWSDKA-LBPRGKRZSA-N 371.328 2.618 5 1 FFBF NC(=O)c1cccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 587269030 HUIMLFYYYKMYQG-UHFFFAOYSA-N 351.366 2.837 5 1 FFBF COC(=O)c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587091254 COGUTIADOSRXGM-UHFFFAOYSA-N 369.259 2.684 5 1 FFBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])nn2C)N1 587749778 FUHOJODWTLYTHT-UOWDBTKRSA-N 369.194 2.854 5 1 FFBF O=[N+]([O-])c1cncc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587007500 ZUEZKIMMELQEKL-UHFFFAOYSA-N 359.143 2.943 5 1 FFBF C[C@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)NCCc2c(C(=O)O)cccc21 963128994 CYMISIDDNTWCBF-LJQANCHMSA-N 369.377 2.683 5 1 FFBF CCc1ccc([C@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc1 96929448 AYAVLVPFOTVBFA-QGZVFWFLSA-N 357.370 2.553 5 1 FFBF COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587390864 SCKNRUIREGILRB-INIZCTEOSA-N 356.334 2.979 5 1 FFBF O=C(O)CCc1c(C(=O)O)[nH]c2c([N+](=O)[O-])cc(Br)cc12 299856845 CHNNHAONWGJDFC-UHFFFAOYSA-N 357.116 2.554 5 1 FFBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])nn2C)N1 587749779 FUHOJODWTLYTHT-WJWGPLDTSA-N 369.194 2.854 5 1 FFBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1F 587139299 GMWKGHJHDPTDQY-UHFFFAOYSA-N 359.708 2.906 5 1 FFBF Cc1ccc2nc(C)c(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)n2c1 1772605168 MGPVSNPLSCCPJJ-UHFFFAOYSA-N 354.366 2.668 5 1 FFBF CCOC(=O)C1=C(CC)NC(C)=C(C(=O)OC)[C@@H]1c1ccc([N+](=O)[O-])cc1 49124650 ZPHBSZUSTBOEKD-INIZCTEOSA-N 374.393 2.956 5 1 FFBF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587232562 ZOSKMNJWVUPMSG-MNOVXSKESA-N 364.377 2.647 5 1 FFBF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1ccccc1[N+](=O)[O-] 28477710 DNXASLHOFMDUMS-UHFFFAOYSA-N 371.374 2.604 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(Br)ccnc2[nH]1 587267788 QYNOJUQUEVMGPK-ZETCQYMHSA-N 351.164 2.743 5 1 FFBF CC1=C(C(=O)O[C@H]2C=CCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 36185138 OXDXBKRZMVVTHP-HOCLYGCPSA-N 357.366 2.875 5 1 FFBF C[C@H](C(N)=O)c1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 95580904 NTHLVSPRDLDFRH-LBPRGKRZSA-N 358.401 2.738 5 1 FFBF CC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@@H](C)[C@](O)(c4ccccc4)[C@H](C[C@@]1(C)O)[N+]32C 169643254 XNIPGJVYVQXXGX-KVCXJGTHSA-N 358.502 2.620 5 1 FFBF CC(=O)[C@@H]1[C@@H]2CC[C@@H]3C[C@H](C)[C@](O)(c4ccccc4)[C@H](C[C@@]1(C)O)[N@@+]23C 2356309637 XNIPGJVYVQXXGX-VTCBRWQJSA-N 358.502 2.620 5 1 FFBF COc1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261045 QOYMFOWZEJNMNK-UHFFFAOYSA-N 355.310 2.737 5 1 FFBF CCOC(=O)Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 36184966 LYUCMSBGXASQAS-UHFFFAOYSA-N 368.349 2.760 5 1 FFBF C[C@H]1CN(C(=O)C(C)(C)C)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 653834984 VDESYJJAKZFYFX-LBPRGKRZSA-N 364.471 2.870 5 1 FFBF Cc1nc2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2cc1Br 587269638 XKWYULHZCXTANG-UHFFFAOYSA-N 363.175 2.944 5 1 FFBF C[C@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)N1CCSCC1 43195998 ZMXYDUSRRWUQKE-HXUWFJFHSA-N 363.547 2.733 5 1 FFBF Cn1nc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575543 FJDIOPBLYITGBH-YJBOKZPZSA-N 367.317 2.737 5 1 FFBF Cn1nc([N+](=O)[O-])cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587273488 BVWCPNYNBNOAGV-UHFFFAOYSA-N 357.555 2.683 5 1 FFBF Cc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 5652509 DSZKFXMJRUVACP-UHFFFAOYSA-N 351.340 2.921 5 1 FFBF COc1cc2c(=O)oc3c(OC)c(OC)cc4c(=O)oc(c1OC)c2c34 15150731 UPDMQTYYPHMZOD-UHFFFAOYSA-N 358.302 2.525 5 1 FFBF biogenic COc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1F 586919622 COVWUONFTDHQRG-UHFFFAOYSA-N 365.342 2.593 5 1 FFBF O=[N+]([O-])c1cnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 586966299 AHHACAQPBTUEMJ-UHFFFAOYSA-N 355.339 2.603 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cncnc2[nH]1 587264414 RJZXNZSPGQACMG-SECBINFHSA-N 357.326 2.612 5 1 FFBF O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cccc2ncccc12 169349255 NHYOZPJPIHVPDU-UHFFFAOYSA-N 354.347 2.704 5 1 FFBF COc1cccc2oc3cc4c(c(O)c3c(=O)c12)[C@H]1C[C@H](O)C[C@@](C)(O4)O1 2356442787 PYEDKAHYOPGAKC-KWEYTQPDSA-N 370.357 2.981 5 1 FFBF CC(=O)c1cccn1CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 473123193 UAAYVXXALASJSP-UHFFFAOYSA-N 356.426 2.811 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Br)ncc2[nH]1 587267760 QBQZIQXMZAOYSO-ZETCQYMHSA-N 351.164 2.743 5 1 FFBF O=C1C[C@H](c2ccccc2Cl)N1S(=O)(=O)c1ccccc1[N+](=O)[O-] 13828827 LTYYAPLAPHFEQA-CYBMUJFWSA-N 366.782 2.911 5 1 FFBF COC(=O)[C@@]12COCC=C3C[N+](C)(CC[C@@H]31)Cc1c2[nH]c2ccccc12 14421859 QPUQMKGFNJGDRZ-AFCKPWEZSA-N 353.442 2.515 5 1 FFBF O=[N+]([O-])c1ccn(CCCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 587273608 MQNCQJHHJFSEOT-UHFFFAOYSA-N 351.269 2.622 5 1 FFBF Cc1cnc(Cl)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 586920785 YGDHHOKGSSCJNV-UHFFFAOYSA-N 366.786 2.802 5 1 FFBF O=[N+]([O-])c1ccc(CNc2ncnc3c2nnn3Cc2ccccc2)cc1 13778573 YECMROQPACRSSX-UHFFFAOYSA-N 361.365 2.790 5 1 FFBF CCCCCc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N[C@H]1CCOC1=O 587646675 GQKQNKCFLZOXPE-ZDUSSCGKSA-N 359.382 2.854 5 1 FFBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc[nH]c2[N+](=O)[O-])N1 587752596 SDCVNGLGJWVHRC-KGFZYKRKSA-N 355.167 2.843 5 1 FFBF COC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432709 KZFOQHLKMYJASX-DNVCBOLYSA-N 355.346 2.893 5 1 FFBF COc1ccc2nc3c(C(=O)NCCN)c4ccn(C)cc4c(C)c3c2c1 1772576288 FMMPRCHXHMZECJ-UHFFFAOYSA-N 362.433 2.885 5 1 FFBF CCc1c(C(=O)C(N)=O)c2c([N+](=O)[O-])cccc2n1Cc1ccccc1 13446103 KQVNTCQTWZWHSY-UHFFFAOYSA-N 351.362 2.828 5 1 FFBF NCCN(CCN)CCNCc1ccc2ccc3cccc4ccc1c2c34 1857574321 HNHGKGQKOBQKPX-UHFFFAOYSA-N 360.505 2.893 5 1 FFBF CCOC(=O)Cc1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270880 SQNAFCOXAUBDCS-HNNXBMFYSA-N 368.393 2.819 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434253 SCMSBUQIIKJESD-BBATYDOGSA-N 357.318 2.806 5 1 FFBF CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cc(OC(C)=O)ccc3oc2c1 40875981 NQOZHPHOLOTREJ-UHFFFAOYSA-N 370.313 2.722 5 1 FFBF CC[C@@H](C)Nc1ncc(C(=O)NCCOC)c(-c2ccc([N+](=O)[O-])cc2)n1 82150289 RJJIBUSRHLDTCG-GFCCVEGCSA-N 373.413 2.638 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccncc3)c1)C2 66258998 DZXRLFWLMPNLBW-INIZCTEOSA-N 352.350 2.831 5 1 FFBF Cn1nnnc1Sc1ncnc2scc(-c3ccccc3[N+](=O)[O-])c12 36380187 XFUJVOPRWUGGLT-UHFFFAOYSA-N 371.407 2.941 5 1 FFBF O=c1cc2n(CCN3CCOCC3)c3ccccc3nc-2c2ccccc12 299868255 ZLGLTVQBQFWTOS-UHFFFAOYSA-N 359.429 2.987 5 1 FFBF C[C@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)NCCc2ccc(O)cc21 963328776 IRXWKHUBOCREQI-LJQANCHMSA-N 356.378 2.795 5 1 FFBF CC(=O)Oc1ccc2c(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3oc2c1 84596245 ADQSTMGPNSJMME-UHFFFAOYSA-N 370.313 2.722 5 1 FFBF COc1cc2nc(CNc3ccc([N+](=O)[O-])cc3)nc(N)c2cc1OC 96907511 DCTFPOMVQXIURO-UHFFFAOYSA-N 355.354 2.750 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@@H]1C[N+](=O)[O-] 587266203 ZCOGKFFQIHOIHS-HRDYMLBCSA-N 367.308 2.545 5 1 FFBF CCOC(=O)Nc1cc(N[C@@H](C)C(=O)c2ccccc2)c([N+](=O)[O-])c(N)n1 27191513 WUHXXPSMCNXRMM-JTQLQIEISA-N 373.369 2.824 5 1 FFBF Cc1cn2cc([N+](=O)[O-])nc2c(=O)n1Cc1cccc(OC(F)(F)F)c1 1857605682 CPYQBVCNJJIWES-UHFFFAOYSA-N 368.271 2.660 5 1 FFBF COc1cc(OC)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 587093151 WQIRILSKXHGKRZ-UHFFFAOYSA-N 371.275 2.914 5 1 FFBF CCOC(=O)[C-]1C(=N)Oc2cc(O)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 169730653 RXSWSUHVGGSPKA-OAHLLOKOSA-N 355.326 2.940 5 1 FFBF Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)cc1Cl 29487908 QBYPTBPBQWSKER-UHFFFAOYSA-N 352.781 2.546 5 1 FFBF COCCOc1cc2ncc3c(N)nc(N4CCCC4)cc3c2cc1OC 45283994 QYBLPWYOUIXTHP-UHFFFAOYSA-N 368.437 2.999 5 1 FFBF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586971956 CDFBIQLEDOSPII-CQSZACIVSA-N 371.422 2.977 5 1 FFBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])nn2C)N1 587749776 FUHOJODWTLYTHT-JKYUHCHBSA-N 369.194 2.854 5 1 FFBF C[C@@]1(CCn2cnc([N+](=O)[O-])n2)CC(=O)c2ccc3c(c2O1)CCCC3 587514464 YTKRFEWCCQJEOL-GOSISDBHSA-N 356.382 2.879 5 1 FFBF COc1ccc2c(c1)c(=O)c1c(NCCCN(C)C)ccc3ncn2c31 5723874 DTZNEKPFKHLBHB-UHFFFAOYSA-N 350.422 2.811 5 1 FFBF CC(=O)O[C@H](c1ccc(C)cc1)[C@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C 40975147 BGQWDFPFZPGIPZ-CVEARBPZSA-N 361.354 2.545 5 1 FFBF O=C1OCC(OCCOC(=O)c2ccc([N+](=O)[O-])cc2)=C1c1ccccc1 96914283 PUSCYPMPCYLORP-UHFFFAOYSA-N 369.329 2.736 5 1 FFBF COCCOc1cc2ncc3c(N)nc(-n4ccnc4)cc3c2cc1OC 45256308 QSSGYSRUMIOURP-UHFFFAOYSA-N 365.393 2.585 5 1 FFBF in-vivo C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587261536 CESBAQJXHBYZMA-HLTSFMKQSA-N 366.761 2.785 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261546 CESBAQJXHBYZMA-HRDYMLBCSA-N 366.761 2.785 5 1 FFBF CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(O)cc2)NC(=O)N1 5523325 BBQKJUNIQHROLK-INIZCTEOSA-N 368.349 2.567 5 1 FFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cncc(Br)c2[nH]1 587277514 XLSMICARYRCNLL-SSDOTTSWSA-N 351.164 2.629 5 1 FFBF CC[N+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 27518184 FLQDEIOQMBKPDI-LBLAZRMVSA-N 363.481 2.627 5 1 FFBF O=[N+]([O-])c1ccn(CCCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)n1 587272943 FBUROTSMSWUONW-UHFFFAOYSA-N 350.722 2.862 5 1 FFBF O=[N+]([O-])c1cnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 587085242 PNBVMUHBKDKPPB-UHFFFAOYSA-N 359.777 2.694 5 1 FFBF O=N[C@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cc([N+](=O)[O-])ccc21 169722195 LRCGKAXJVDYBAO-OAHLLOKOSA-N 373.296 2.955 5 1 FFBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCCO 2483914 SWAMFJJYVJMDPN-UHFFFAOYSA-N 367.789 2.923 5 1 FFBF CN1CCN2C[C@@H](c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc3[C@H]2C1 58468808 DUFIOWBGBIHQPW-RBUKOAKNSA-N 368.393 2.937 5 1 FFBF CCOCCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)[nH]c2ccccc21 36184965 YSBXCILQUDPHIN-UHFFFAOYSA-N 354.366 2.655 5 1 FFBF CCCc1c2nc(C(=O)O)cc(C=O)c2cc2c(=O)cc(C(=O)O)oc12 29227872 VVUYNOFSSLQTBD-UHFFFAOYSA-N 355.302 2.503 5 1 FFBF NC(=O)CCC[C@H](NCc1c2ccccc2nc2ccccc12)C(=O)O 34172018 QYPSNLDYYPJMPY-SFHVURJKSA-N 351.406 2.586 5 1 FFBF Cn1nc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1[N+](=O)[O-] 962708989 LJGFWEZUFJZFEQ-GTNSWQLSSA-N 362.430 2.920 5 1 FFBF COc1cc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc([N+](=O)[O-])c1O 963607061 IWFGOPKMGILXRX-XTZNXHDOSA-N 374.393 2.950 5 1 FFBF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ncccc3[N+](=O)[O-])CC1)O2 587388402 AYLMURWLNDUOAH-UHFFFAOYSA-N 368.393 2.885 5 1 FFBF Cc1cn2cc([N+](=O)[O-])nc2c(=O)n1Cc1ccccc1OC(F)(F)F 1857586375 QPVCEJTXYKOPAG-UHFFFAOYSA-N 368.271 2.660 5 1 FFBF Cc1[nH]c2nc(N)nc(O)c2c1Sc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 28525385 IYPMQKXLCJQBQC-UHFFFAOYSA-N 362.327 2.522 5 1 FFBF Cc1cccc2c1nc1c3ccc4c(=O)[nH]c(=O)c5ccc(c(=O)n21)c3c54 64437050 PHLZVDRNWYEEKR-UHFFFAOYSA-N 353.337 2.540 5 1 FFBF O=[N+]([O-])c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587091847 PXLAMQHWCURZSB-UHFFFAOYSA-N 356.220 2.805 5 1 FFBF CNC(=O)c1nc(C)c([C@]2(C)CC(c3cccc([N+](=O)[O-])c3)=NO2)s1 13478212 SWQIXYVUYBJEEQ-INIZCTEOSA-N 360.395 2.759 5 3 FFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1 587268299 PTPLBHNTNCXXJM-UHFFFAOYSA-N 356.386 2.541 5 1 FFBF CCCCS(=O)(=O)N[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)C(C)C 586932583 HLFIWWNKEJKPCC-CQSZACIVSA-N 354.432 2.888 5 1 FFBF COC(=O)[C@H](C)NC(=O)c1cc2c(ccc3oc4ccccc4c32)oc1=O 73197231 JQMKSGHDBCSHNU-JTQLQIEISA-N 365.341 2.984 5 1 FFBF O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n1ncc2ccc(Cl)cc2c1=O 587653251 UNTSFIRURDAODG-UHFFFAOYSA-N 374.696 2.555 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ncc[nH]c-2n1 587261290 ANFWGXLWHRQCGR-SECBINFHSA-N 357.326 2.564 5 1 FFBF Cc1cccc(-c2nnc(SCCn3c([N+](=O)[O-])cnc3C)o2)c1O 95604128 ZAPBYRUAHFBBNI-UHFFFAOYSA-N 361.383 2.956 5 1 FFBF CC(=O)N1CCS[C@@H]1c1cc([N+](=O)[O-])ccc1OCCCN(C)C 28008384 WIOLLYLHSLTHDK-MRXNPFEDSA-N 353.444 2.519 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)c(Cl)nc3[nH]2)[C@H]1C[N+](=O)[O-] 587265695 XKHAJDDMQQCUAO-CSMHCCOUSA-N 357.197 2.925 5 1 FFBF CC(C)(O)[C@H]1Oc2cc3oc4c5ccc(O)cc5oc(=O)c4c3cc2[C@H]1O 2356337650 ZJBOZZWXWWQLRJ-AEFFLSMTSA-N 368.341 2.963 5 1 FFBF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc([N+](=O)[O-])cc1 29472002 RKCUPVYCMNCYBP-UHFFFAOYSA-N 366.303 2.868 5 1 FFBF O=c1nc(O)c2c1c1c3cccc(O)c3nc1c1nc3c(O)cccc3c12 2356840238 MPDDUGXFVFRWCD-UHFFFAOYSA-N 355.309 2.990 5 1 FFBF C[C@@]12Cc3cc4c(cc3[C@@]1(c1ccc([N+](=O)[O-])cc1)OCCO2)OCO4 1663113 CTDADBHYUADXAE-RTBURBONSA-N 355.346 2.929 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263347 LOTIGQBAMVPPAO-BWZBUEFSSA-N 357.197 2.925 5 1 FFBF CC(C)(C)OC(=O)Nc1snnc1-c1nc2ncc([N+](=O)[O-])cc2[nH]1 587039396 RNBHKIPFFAUASV-UHFFFAOYSA-N 363.359 2.732 5 1 FFBF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28125286 TYCAMUVZQFDBSO-GRUGVGOFSA-N 352.268 2.925 5 1 FFBF COC(=O)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587270705 ZASMLPYROTZYQU-UHFFFAOYSA-N 364.321 2.505 5 1 FFBF NC[C@@H](O)CNCCCCNCc1c2ccccc2cc2ccccc12 13529678 LOCTTWNAMANHSI-LJQANCHMSA-N 351.494 2.772 5 1 FFBF CC(=O)Nc1cccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587242233 KFLPYYNZHDLJID-UHFFFAOYSA-N 355.310 2.929 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cncc(Br)c2[nH]1 587266899 CGICZDUHKVLGHE-ZETCQYMHSA-N 351.164 2.743 5 1 FFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 586919746 FVYCXFBAHQWLLY-UHFFFAOYSA-N 371.296 2.862 5 1 FFBF Cc1cnc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2c1 586928197 YZXMSVMIRQBUAP-UHFFFAOYSA-N 366.786 2.898 5 1 FFBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])nn2C)N1 587751130 KYPCIGLNNAWACX-NXSYQRQQSA-N 369.194 2.854 5 1 FFBF COC(=O)C[C@H](C)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587783043 DXPQEMKAXPOTFI-SSDOTTSWSA-N 356.176 2.975 5 1 FFBF COc1ccc2cc3n(C)c(=O)c(=O)c4ccc(OC)c(oc2c1OC)c4-3 14886615 VHOZUOQKJJREQS-UHFFFAOYSA-N 367.357 2.776 5 1 FFBF biogenic O=c1cc(Cn2cnc([N+](=O)[O-])c2)nc2scc(-c3ccccc3)n12 621429883 DFAYTXVNCCRGKL-UHFFFAOYSA-N 353.363 2.576 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)nc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587261367 BOCLLKBLJSGOPI-CSMHCCOUSA-N 357.197 2.925 5 1 FFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(O)cc2[nH]1 587267146 UUFUIIJALQUYJK-GLEZIHRCSA-N 373.325 2.619 5 1 FFBF CCCS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 586953270 SGQJDDJKAKCROK-UHFFFAOYSA-N 370.406 2.529 5 1 FFBF CCS(=O)(=O)NCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 586943794 LCOVXZKHTMHESL-UHFFFAOYSA-N 369.450 2.531 5 1 FFBF N=C(NCc1ccc(O)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1[N+](=O)[O-] 1857621525 XTIRTFRQXYNSTL-KRWDZBQOSA-N 368.393 2.558 5 1 FFBF Cc1ccc2c(c1)C(=O)N([C@@H](CC(=O)O)c1ccccc1[N+](=O)[O-])C2=O 1857632133 SNOUCOXSNDKYSA-HNNXBMFYSA-N 354.318 2.715 5 1 FFBF O=C(O[C@@H]1CCCO[C@]12CCCCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2356819407 XUHBFKDGLTWDKH-GDBMZVCRSA-N 366.326 2.736 5 1 FFBF CC(=O)N[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 38881502 NKKGNNYKHIFQOE-MRXNPFEDSA-N 357.322 2.953 5 1 FFBF CCN(CC)CCC[C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc2c1=O 26392642 CVIYUTPFXVIXJY-CYBMUJFWSA-N 374.441 2.677 5 1 FFBF COC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587269799 QOBDEUSOLDKRMF-UHFFFAOYSA-N 355.306 2.649 5 1 FFBF N[C@@H](Cc1cccc(Br)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586983612 GASDYCADBZICQM-JTQLQIEISA-N 362.187 2.871 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc4c1OCOC4)[C@@H](C2)C3=O 587431316 DGKQRHINCSSGPY-DJJJIMSYSA-N 369.329 2.959 5 1 FFBF Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C 53026328 DVJYFYQACAKCOT-PEZBUJJGSA-N 369.468 2.890 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccnc(-c3ccc(F)cc3)c1)C2 66263121 JUPGENKFYREQPJ-HNNXBMFYSA-N 370.340 2.970 5 1 FFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)nn2)c1 587270704 YZGHCVHROOGKBA-UHFFFAOYSA-N 351.282 2.627 5 1 FFBF COCCOc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1[N+](=O)[O-] 587265266 NSMXPNWXXVKTGI-INIZCTEOSA-N 371.353 2.887 5 1 FFBF COC(=O)c1cc2c([N+](=O)[O-])cccc2n(Cc2cccc(OC)c2)c1=O 1772617995 TZWSKVIVJAYUTP-UHFFFAOYSA-N 368.345 2.753 5 1 FFBF C[C@H]1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 13828839 HOWFCNMWQPJPBN-MEBBXXQBSA-N 364.354 2.642 5 1 FFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(=O)O)cc2[nH]1 587118405 PTOMVMWRHSKKDE-UHFFFAOYSA-N 369.259 2.741 5 1 FFBF N[C@@H](Cc1cc(-c2cccc(C(=O)O)c2)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1772573284 SRLDOAOYJVEXQX-LBPRGKRZSA-N 364.741 2.568 5 1 FFBF O=[N+]([O-])c1ccc(CCN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 95558309 PTLAMIULMCOINT-UHFFFAOYSA-N 370.409 2.863 5 1 FFBF Cc1cc(N(C)Cc2nc3ccc(C(=N)N)cc3[nH]2)c([N+](=O)[O-])cc1F 587136607 HHVSZCXNAGQUNO-UHFFFAOYSA-N 356.361 2.839 5 1 FFBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])n(C)n2)N1 587750184 HDIZEGCOPLJKIB-NXSYQRQQSA-N 369.194 2.854 5 1 FFBF CN(CCOCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 13742430 IMHFZSFLUOAPRH-UHFFFAOYSA-N 372.425 2.865 5 1 FFBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCNCC2)c(F)c1 103245422 MENFIYWTIYWAJO-FPYGCLRLSA-N 370.384 2.795 5 1 FFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2c(Br)cnc(Cl)c2[nH]1 587274127 MYLKZIOOWULWGU-UHFFFAOYSA-N 371.582 2.835 5 1 FFBF Cc1cc2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2cc1[N+](=O)[O-] 586947954 AFBLKORAYSKVOF-UHFFFAOYSA-N 360.395 2.742 5 1 FFBF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1[N+](=O)[O-] 29324581 ZZVDQTCQGYISLQ-MRXNPFEDSA-N 360.366 2.566 5 1 FFBF CC[C@@H](C)Nc1ncc(C(=O)NCCOC)c(-c2cccc([N+](=O)[O-])c2)n1 82136132 SAISREJAIMKMBX-GFCCVEGCSA-N 373.413 2.638 5 1 FFBF COc1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261237 ZRQVEBHCIBNQBS-UHFFFAOYSA-N 361.285 2.993 5 1 FFBF O=[N+]([O-])c1cccnc1NCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587268620 HEUNSTBKXADIMJ-UHFFFAOYSA-N 373.682 2.892 5 1 FFBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1ccc([N+](=O)[O-])n1 587871375 GGMRKZVIPHWWQG-UHFFFAOYSA-N 373.344 2.923 5 1 FFBF CN(CCCN)CCCNc1ccc2ncn3c4ccccc4c(=O)c1c23 101268370 ZEBBQFUTDQBLGT-UHFFFAOYSA-N 363.465 2.521 5 1 FFBF C[C@@]1(CNc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1 653729234 MPBQPKHJUUBLBZ-CYBMUJFWSA-N 358.276 2.953 5 1 FFBF Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576178 NDWCMTARUUSPSF-YJBOKZPZSA-N 367.317 2.737 5 1 FFBF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1ccc(N)c([N+](=O)[O-])c1 26387943 GSYKTVDWPBALGI-NWCRWOLESA-N 361.354 2.598 5 1 FFBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc([N+](=O)[O-])nc1C 587872335 VCPHAABMRYCWDR-UHFFFAOYSA-N 373.344 2.841 5 1 FFBF O=c1c2cc(Cl)ccc2oc2ccc(CN3CCN(CCO)CC3)cc12 1857555015 JIWZYKRALJMPGY-UHFFFAOYSA-N 372.852 2.710 5 1 FFBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ncc[nH]c-2n1 587057445 WTKQYPXXGJCTFH-LBPRGKRZSA-N 374.788 2.993 5 1 FFBF Cn1c(=O)nc2n(-c3cc(Cl)cc(Cl)c3)c3ccccc3nc-2c1=O 607307 WYOZXPBUTSDQCX-UHFFFAOYSA-N 373.199 2.891 5 1 FFBF NC(=O)N1CCc2sccc2[C@@H]1c1cc2oc(=O)ccc2cc1[N+](=O)[O-] 962705340 NDYPAFFMUOJBPP-MRXNPFEDSA-N 371.374 2.789 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265276 VLVCBJMPZRXDHC-FKTZTGRPSA-N 356.304 2.637 5 1 FFBF C[N+](C)(C)Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169315856 AIMCENQLNGCUHX-UHFFFAOYSA-N 351.404 2.569 5 1 FFBF COc1cc(C=O)ccc1OCc1cn([C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)nn1 100597387 DDSZFRTYTVXXJY-NNZMDNLPSA-N 371.461 2.621 5 1 FFBF CC(C)C[C@@H](CO)NC(=O)COc1ccc2c(=O)c3ccccc3oc2c1 103228910 UWNSLXWUHNTLJD-AWEZNQCLSA-N 369.417 2.848 5 1 FFBF CC(=O)N1N=C(c2ccc3c(c2)OCCO3)O[C@@H]1c1ccc([N+](=O)[O-])cc1 73197587 PSROPFPLFYZINS-GOSISDBHSA-N 369.333 2.605 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cnncc2[nH]1 587263336 LNZLRAMNBADJMJ-SECBINFHSA-N 357.326 2.612 5 1 FFBF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 28820490 DRVREZCNXLUFPX-GFCCVEGCSA-N 359.407 2.986 5 1 FFBF CC(=O)N[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 38881500 NKKGNNYKHIFQOE-INIZCTEOSA-N 357.322 2.953 5 1 FFBF CO/C(O)=C1/C(C)=Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 139059724 BRXSJJNCFQWJMD-SAIXKJTDSA-N 374.378 2.995 5 1 FFBF C[C@H](c1ccccn1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O 13553676 MQHPWUBVLJTMGV-SECBINFHSA-N 368.780 2.601 5 1 FFBF Cc1ccnc2c1CCNC21CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 963089900 RMDUHPQKKVENAZ-UHFFFAOYSA-N 366.421 2.575 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(N)ccnc2[nH]1 587261861 DJKAUDULEBXIHY-SECBINFHSA-N 371.353 2.800 5 1 FFBF COc1cccc(CCNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 26286271 NJCBORQSRFKYMC-UHFFFAOYSA-N 367.361 2.626 5 1 FFBF CCN(C)c1ncc(C(=O)NCC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149022 YVJZGXZCJASTBY-UHFFFAOYSA-N 355.398 2.648 5 1 FFBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c([N+](=O)[O-])c(O)c([N+](=O)[O-])cc12 42201571 PGRBMCADIKXVMY-UHFFFAOYSA-N 373.233 2.890 5 1 FFBF O=C(O)CCC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 299836211 MHBAJEFLTGTXAQ-UHFFFAOYSA-N 354.322 2.941 5 1 FFBF COC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 587390053 PAECBIFGJLFMES-INIZCTEOSA-N 356.334 2.979 5 1 FFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587267612 BRTBHYZNBAZZAF-UHFFFAOYSA-N 354.370 2.724 5 1 FFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587275126 VWFYZJMYPNBPDN-UHFFFAOYSA-N 367.119 2.542 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@H]1C[N+](=O)[O-] 587266207 ZCOGKFFQIHOIHS-VGMNWLOBSA-N 367.308 2.545 5 1 FFBF NS(=O)(=O)c1ccc(F)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587142361 WUMOHXBQYMZSBM-UHFFFAOYSA-N 370.749 2.578 5 1 FFBF COc1ccccc1N1CC=[N+](N[CH-]c2ccc(Cl)c([N+](=O)[O-])c2)CC1 169693184 SXPOJKRASHZCTM-UHFFFAOYSA-N 374.828 2.875 5 1 FFBF NC(=O)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl 6567815 AECDRCQPKBHMIY-CYBMUJFWSA-N 368.176 2.858 5 1 FFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(Br)c(F)c2[nH]1 587273583 IVQPHCVHWXEDAT-UHFFFAOYSA-N 354.139 2.926 5 1 FFBF Cc1cc(Cn2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)oc1C 28655959 BBZQWGDQSGDLAR-UHFFFAOYSA-N 371.780 2.855 5 1 FFBF COc1ccc([S@@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1OC 73162026 IFYOUIZWPSBSGD-HSZRJFAPSA-N 368.392 2.534 5 1 FFBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1N1C(=O)c2ccccc2C1=O 587648014 YHPDRWQRESTCKT-UHFFFAOYSA-N 365.301 2.663 5 1 FFBF Cn1cc(-c2ncc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)s2)cn1 587022349 YFVOWIFXTOBOAI-UHFFFAOYSA-N 371.338 2.903 5 1 FFBF O=[N+]([O-])c1ccc(CN2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCO)cc1 1772622587 KRARAPDODLAYJH-NBYUQASBSA-N 359.470 2.652 5 1 FFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(O)cc2[nH]1 587267144 UUFUIIJALQUYJK-ANRSDYALSA-N 373.325 2.619 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265328 WKKGEVHJPXIDST-GJMOJQLCSA-N 357.197 2.925 5 1 FFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)ncc2[nH]1 587270081 JSCVYWGSLBOOIM-JTQLQIEISA-N 362.187 2.871 5 1 FFBF CC(=O)CC(=O)c1c(O)c2c(=O)oc3c4ccccc4ccc3c2oc1=O 1857560998 RTMZBHJFABMLAC-UHFFFAOYSA-N 364.309 2.920 5 1 FFBF CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1O 27518770 MBWWQPBRAYWCEQ-CVEARBPZSA-N 360.341 2.737 5 1 FFBF CCOC(=O)c1nc([N+](=O)[O-])cn1Cc1ccc(OC(F)(F)F)cc1 1772574630 FJCWEMSGXYFEOS-UHFFFAOYSA-N 359.260 2.915 5 1 FFBF CSc1ccc(NC2=C(c3ccc([N+](=O)[O-])cc3)C(=O)NC2=O)cc1 14946035 CLDZMWNXQSYUGP-UHFFFAOYSA-N 355.375 2.796 5 1 FFBF O=C(Cc1ccccc1)N[C@H]1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)OC1 28826717 BSYBTQFURWTJQZ-QFBILLFUSA-N 356.378 2.758 5 1 FFBF O=[N+]([O-])c1ccc(OCc2nc3c(S)nc(S)nc3[nH]2)cc1F 587149559 VCIYRCLBJAVCGW-UHFFFAOYSA-N 353.360 2.557 5 1 FFBF COC(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587269704 MNOFLYZFVUXASH-UHFFFAOYSA-N 364.321 2.505 5 1 FFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587274896 VWVBMVRCCQFWRN-UHFFFAOYSA-N 363.381 2.856 5 1 FFBF C[C@]1(CN2CCC(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1 653733756 JNVJAQIDMZWIBX-SFHVURJKSA-N 360.389 2.961 5 1 FFBF Cc1c(NC(N)=O)cccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587239185 LARNRDRMUDLZOK-UHFFFAOYSA-N 356.298 2.845 5 1 FFBF CS(=O)(=O)c1cc(-c2nc3cc(F)cnc3[nH]2)cc([N+](=O)[O-])c1Cl 586925877 JYBGDPUTEATRQD-UHFFFAOYSA-N 370.749 2.729 5 1 FFBF CC(=O)OC[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(C)cc(N)c2O1 587390968 TVVGYMQNNCRXIY-IBGZPJMESA-N 370.361 2.909 5 1 FFBF O=[N+]([O-])c1ccc(CSc2nnn(Cc3ccc([N+](=O)[O-])cc3)n2)cc1 473136624 SXMYSHGJMWDXMR-UHFFFAOYSA-N 372.366 2.830 5 1 FFBF O=C1NC(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 45350414 NQPSWIKWJRPNPV-SXGWCWSVSA-N 362.345 2.778 5 1 FFBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c12 42201579 RVUCTVPWBWRCAL-UHFFFAOYSA-N 373.233 2.890 5 1 FFBF CC1CCC(NS(=O)(=O)Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 586953621 WQOCAZAUSICGEB-UHFFFAOYSA-N 370.406 2.608 5 1 FFBF COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c([N+](=O)[O-])c1 587434072 QRABWYNWCDSQDY-ACJLOTCBSA-N 369.329 2.879 5 1 FFBF CN1CCN2C[C@H](c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc3[C@H]2C1 167775941 DUFIOWBGBIHQPW-RTBURBONSA-N 368.393 2.937 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(F)nc3)c1)C2 66258996 VVVNKPWNORZRAI-HNNXBMFYSA-N 370.340 2.970 5 1 FFBF COc1cc2c(=O)c3c(O)cc(OC(C)=O)cc3oc2cc1OC(C)=O 14764523 RAWBNUCTHOCPPS-UHFFFAOYSA-N 358.302 2.511 5 1 FFBF biogenic COCCOc1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1[N+](=O)[O-] 587264807 KFPDYWPAVLASQG-UHFFFAOYSA-N 369.337 2.745 5 1 FFBF COc1cc2c3c(c1)O[C@@](C)(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587432717 LEKRTABPMSAELK-IFXJQAMLSA-N 353.330 2.992 5 1 FFBF COC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 587390055 PAECBIFGJLFMES-MRXNPFEDSA-N 356.334 2.979 5 1 FFBF Cc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2n1 587266756 OGOBWDUNMMBSIV-OTYXRUKQSA-N 372.341 2.617 5 1 FFBF COc1ccc(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] 587652735 HCXKIQRICJEHOA-UHFFFAOYSA-N 373.752 2.850 5 1 FFBF Cc1cc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)ccc1OC(F)(F)F 1857636242 YFKLRAZPMOGBPZ-NSHDSACASA-N 373.287 2.976 5 1 FFBF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1CCO[C@H]1O4 6017981 RCUCNKLTNYOKIJ-RLBGWGEZSA-N 356.330 2.891 5 1 FFBF biogenic Cc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1C 587270558 NJASHWQLJFCIQS-HNNXBMFYSA-N 367.409 2.987 5 1 FFBF COc1cc(Cl)cc(C=O)c1OCc1nc2cncc([N+](=O)[O-])c2[nH]1 587066818 HYRWPIHMJOFQOL-UHFFFAOYSA-N 362.729 2.920 5 1 FFBF COc1ccc(-c2csc(NCC(=O)NC(C)C)n2)cc1[N+](=O)[O-] 82192055 RYQVKSQDOSHUPG-UHFFFAOYSA-N 350.400 2.663 5 1 FFBF NS(=O)(=O)Cc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1 586929796 GCEIAWWSLPTMNG-UHFFFAOYSA-N 366.786 2.580 5 1 FFBF O=C(NCc1cccnc1)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1 2965712 ZYQVFNXLGQWLPF-UHFFFAOYSA-N 364.792 2.826 5 1 FFBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc[nH]c1[N+](=O)[O-] 587580754 ZICLYFIHKWZAFB-BLLLJJGKSA-N 353.290 2.726 5 1 FFBF Cc1cc(N(C)Cc2nc3nc(Cl)c[nH]c-3n2)c([N+](=O)[O-])cc1F 587137347 VWVHGPHIMPHDRY-UHFFFAOYSA-N 350.741 2.950 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587432204 ILKHNCJBTLKHNU-VOJFVSQTSA-N 357.318 2.806 5 1 FFBF O=[N+]([O-])c1cccc(-c2cc(-c3ccncc3)nc(N3CCOCC3)n2)c1 28123414 OBEGZWBLOBVENJ-UHFFFAOYSA-N 363.377 2.950 5 1 FFBF CC(=O)N=[S@](C)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 141013789 LGNSOLMHFRHBBT-RUZDIDTESA-N 359.359 2.648 5 1 FFBF COc1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261194 XZPIZWBQXVBUNS-OAHLLOKOSA-N 357.326 2.879 5 1 FFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587270534 MDXHSTYNAOWTKE-ZDUSSCGKSA-N 354.366 2.875 5 1 FFBF Cc1csc([C@@](O)(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)C(F)(F)F)n1 587094099 JTKOUQBZALCOIU-LBPRGKRZSA-N 373.316 2.624 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1cccc(-c3ccc(F)nc3)n1)CC2 1772633143 FCEJQISTJWSDKA-GFCCVEGCSA-N 371.328 2.618 5 1 FFBF CCOC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccc([N+](=O)[O-])cc12 96273858 SIYHDAGPPJTNHW-UHFFFAOYSA-N 369.333 2.818 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](COCc1ccc(OC(F)(F)F)cc1)C2 68248636 UIPIZMADAJJXSA-LLVKDONJSA-N 373.287 2.915 5 1 FFBF O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCN1CCOCC1 27863900 QHFUOSXOCZKTBI-UHFFFAOYSA-N 360.413 2.921 5 1 FFBF C[C@H]1COC2(CCC(C(=O)Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)O1 169350166 YVBFZVSCHHHIJO-SGWRBKMISA-N 365.342 2.763 5 1 FFBF COC(=O)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-] 587391666 WWFORFRLYDJOKI-OAHLLOKOSA-N 356.334 2.979 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(Br)ccnc2[nH]1 587267787 QYNOJUQUEVMGPK-SSDOTTSWSA-N 351.164 2.743 5 1 FFBF O=[N+]([O-])c1cc(O)c2c(c1)S(=O)(=O)N=C(Nc1ccccc1Cl)N2 6718562 MXDWNZUMSIYAFL-UHFFFAOYSA-N 368.758 2.536 5 1 FFBF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 28820529 VBOMTPIHFSQCEG-LBPRGKRZSA-N 359.407 2.986 5 1 FFBF O=C(O)c1c2c3ccc(N4CCSCC4)c4cccc(c-2nc1=O)c43 45393520 ZIRQLMJTXGGODP-UHFFFAOYSA-N 350.399 2.980 5 1 FFBF COc1c(O)ccc2c(=O)c3c(O)cc4c(c3oc12)C(C)(C)CC(=O)O4 220921414 OMYJDDMIHAOFPJ-UHFFFAOYSA-N 356.330 2.953 5 1 FFBF COc1cc(Nc2ccc([N+](=O)[O-])c3nc[nH]c(=O)c23)cc(OC)c1OC 34947207 GDSZCVXRNJKYAR-UHFFFAOYSA-N 372.337 2.601 5 1 FFBF Cc1ccc(-c2nnc(SCCn3c([N+](=O)[O-])cnc3C)o2)c(O)c1 95603620 PTLJYOCVUBGRPE-UHFFFAOYSA-N 361.383 2.956 5 1 FFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Cl)c[nH]c-2n1 587267179 VCQQOHMRTUOINZ-LURJTMIESA-N 363.721 2.947 5 1 FFBF Cc1ccc(Cn2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)o1 28655962 FHOKQCAIAPHLGC-UHFFFAOYSA-N 357.753 2.547 5 1 FFBF Nc1ncc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1[N+](=O)[O-] 587268460 YUVJAXGOJWOPSS-UHFFFAOYSA-N 350.132 2.583 5 1 FFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(O)c2[nH]1 587267072 SSHCSMBFSXTYCZ-XLKFXECMSA-N 373.325 2.619 5 1 FFBF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1c1ccc(N)c([N+](=O)[O-])c1 100028522 GSYKTVDWPBALGI-WSTOHFRZSA-N 361.354 2.598 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587261504 CBEDDXKGUOFTEI-UTUOFQBUSA-N 371.372 2.548 5 1 FFBF N=C(NCc1ccccc1)[C@@H]1CCC(=O)N1Cc1ccccc1[N+](=O)[O-] 1857589231 JBIIELDKNMMBGH-KRWDZBQOSA-N 352.394 2.853 5 1 FFBF COc1cc(OCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)ccc1[N+](=O)[O-] 587263613 WTXDZTNTLJRSPJ-UHFFFAOYSA-N 370.365 2.761 5 1 FFBF O=c1c2ccc(Cl)cc2oc2c(CN3CCN(CCO)CC3)cccc12 96927923 UZHJWVXQNRNSMC-UHFFFAOYSA-N 372.852 2.710 5 1 FFBF O=C(Oc1cccnc1C(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1 13521951 HVHMIAZHRRGKLG-UHFFFAOYSA-N 370.346 2.918 5 1 FFBF COc1c(Cl)ccc2c(=O)c3cc4c(c(O)c3oc12)[C@@]1(O)C=CO[C@H]1O4 2356558272 RQEWHUMVUNMQIN-ROUUACIJSA-N 374.732 2.764 5 1 FFBF CCCCS(=O)(=O)N[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)C(C)C 586933606 UJQZDTFSSUOCFC-CYBMUJFWSA-N 354.432 2.888 5 1 FFBF C[C@@]1(Cn2cnc([N+](=O)[O-])n2)c2ccsc2CCN1Cc1ccco1 962712471 UTTJOGUPXWQTPL-MRXNPFEDSA-N 359.411 2.815 5 1 FFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(N)=O)cc2[nH]1 587265598 RBKLTOQWYYEARQ-QMMMGPOBSA-N 370.325 2.651 5 1 FFBF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586974682 XFFHYKLTDVIEJF-HNNXBMFYSA-N 371.422 2.977 5 1 FFBF CC(=O)Nc1cc2c(c(N3CCCCC3)c1[N+](=O)[O-])C[C@H](O)C(C)(C)O2 40631951 JCVUUBQNGLJWNL-HNNXBMFYSA-N 363.414 2.618 5 1 FFBF O=C(Cc1ccccc1)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 13470621 MUMUQBOAUJDNTL-UHFFFAOYSA-N 353.422 2.918 5 1 FFBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587275165 XNEHUOAKZRFCSR-UHFFFAOYSA-N 362.218 2.921 5 1 FFBF N[C@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@H]1c1ccccc1F 587154460 PGXYRDLLYITFEE-XXFAHNHDSA-N 357.301 2.860 5 1 FFBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H](O)C3CCOCC3)[nH]c12 586914200 WIXMMIJONOMCHB-LBPRGKRZSA-N 356.176 2.694 5 1 FFBF CC[C@@H](C)NC(=O)c1cnc(NCCOC)nc1-c1cccc([N+](=O)[O-])c1 82135872 ZWERRFJFNRJCKZ-GFCCVEGCSA-N 373.413 2.638 5 1 FFBF COc1ccc(NC(=O)COC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 101485842 SBOXXAVLXUWGLE-UPJWGTAASA-N 362.382 2.911 5 1 FFBF Cc1ccc(CN=c2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)n2O)cc1 263591970 FXBTZEIWRHYBTF-UHFFFAOYSA-N 359.773 2.882 5 3 FFBF Cn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576173 NDWCMTARUUSPSF-CRAIPNDOSA-N 367.317 2.737 5 1 FFBF Cc1ccn2c(C(=O)NCCOc3cccc([N+](=O)[O-])c3)c(C)nc2c1 1772651461 QCZJOCLBZYEOBP-UHFFFAOYSA-N 354.366 2.668 5 1 FFBF CC1=Nc2cc(=O)[nH]n2[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)OC(C)C 100861683 BPQOBCDNPBAZFQ-CFBLSMTOSA-N 358.354 2.975 5 1 FFBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1cc([N+](=O)[O-])cn1 587872489 YNXHQEORVDDTBZ-UHFFFAOYSA-N 373.344 2.923 5 1 FFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cncc(Br)c2[nH]1 587269572 FKFFJLCUMAGZOG-NSHDSACASA-N 362.187 2.871 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)nc3)cc1)C2 66251787 BCRFZPDVKWMBPB-HNNXBMFYSA-N 370.340 2.970 5 1 FFBF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1[N+](=O)[O-] 29324576 ZZVDQTCQGYISLQ-INIZCTEOSA-N 360.366 2.566 5 1 FFBF Cc1nc2[nH]c([C@@H](C)n3cc([N+](=O)[O-])cn3)nc2cc1Br 587276808 NOBPBNYWPVEDHI-SSDOTTSWSA-N 351.164 2.743 5 1 FFBF C[C@@H]1O[C@@H](c2cccc([N+](=O)[O-])c2)OC[C@H]1NC(=O)Cc1ccccc1 28826533 GNKMDNZIVQOXTR-IRWQIABSSA-N 356.378 2.756 5 1 FFBF COc1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261193 XZPIZWBQXVBUNS-HNNXBMFYSA-N 357.326 2.879 5 1 FFBF CCN(C)c1ncc(C(=O)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149277 UUIADJKPDYFTMD-UHFFFAOYSA-N 355.398 2.744 5 1 FFBF O=C(O)c1cc(F)cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587270304 VEAIYOOTVKDNQW-UHFFFAOYSA-N 368.284 2.556 5 1 FFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Br)ccnc2[nH]1 587275635 FDYCONVDBAKNJV-SSDOTTSWSA-N 351.164 2.629 5 1 FFBF COCCNc1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1[N+](=O)[O-] 587264138 BFMYFTKFETUXFJ-UHFFFAOYSA-N 368.353 2.778 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(F)cn3)cn1)CC2 1772590222 BEPRIHUSWRXPPZ-CYBMUJFWSA-N 371.328 2.618 5 1 FFBF CS(=O)(=O)NC(=O)c1cccc2nc3c(Cl)ccc(Cl)c3nc12 1857745939 QRYKGJJMNUFTBV-UHFFFAOYSA-N 370.217 2.779 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(OC)c1O)[C@@H](C2)C3=O 587432377 JSCVUUSVJIPCFF-VOJFVSQTSA-N 357.318 2.806 5 1 FFBF Cc1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2n1 586926377 OCSRXMRZKPQNHA-UHFFFAOYSA-N 366.786 2.898 5 1 FFBF C[C@@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)NCCc2ccc(O)cc21 963328775 IRXWKHUBOCREQI-IBGZPJMESA-N 356.378 2.795 5 1 FFBF N[C@@H](Cc1cc(-c2cc(O)cc(F)c2)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1857643642 KZXHXZJZFHGPRG-LBPRGKRZSA-N 354.721 2.714 5 1 FFBF COC(=O)[C@@]12COCC[C@H]3[C@@H]1CC[N@@+](C)([O-])[C@H]3c1c2[nH]c2ccccc12 299806739 OSMMAUUKWDERDD-OKZPVNIOSA-N 356.422 2.634 5 1 FFBF O=[N+]([O-])c1cc2nc(CSc3nnc(S)s3)[nH]c2cc1[N+](=O)[O-] 587026657 ZZVAHFZMPKRHIE-UHFFFAOYSA-N 370.397 2.812 5 1 FFBF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1[N+](=O)[O-] 103253089 KAOXCRMXOXAWJO-HNNXBMFYSA-N 356.334 2.558 5 1 FFBF CC[C@H](C)Nc1nc2cc(Cl)c([N+](=O)[O-])cc2nc1S(C)(=O)=O 28951110 YZUCQXNEALYWBZ-ZETCQYMHSA-N 358.807 2.805 5 1 FFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1OCC(=O)O)O2 587390560 RNTTYUDWTDZFLY-INIZCTEOSA-N 372.333 2.655 5 1 FFBF Cc1nc2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2cc1Br 587275379 CXYZMGSDWMZJSL-SSDOTTSWSA-N 365.191 2.937 5 1 FFBF CCOC(=O)Cc1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587268237 YKJICLGCYHECPQ-LLVKDONJSA-N 357.370 2.691 5 1 FFBF COC(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 587269085 KLHYQTCTSSYLDZ-UHFFFAOYSA-N 355.306 2.649 5 1 FFBF CCn1nc(C)c(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(=O)OC)c1C 587647605 KAMAOKSIVQJTDA-UHFFFAOYSA-N 370.365 2.932 5 1 FFBF CCCCc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)cc1 1619723 JLAJYFGZSQCUQX-UHFFFAOYSA-N 360.417 2.927 5 1 FFBF Nc1nc2oc3ccc(C4=CC[C@@H](O)CC4)cc3c(=O)c2cc1C(=O)O 1857769832 XGVLVOVCMCFPGA-LLVKDONJSA-N 352.346 2.550 5 1 FFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cnc4ccccc4c3[nH]2)cc1 586921110 XVSAWIXQLVJTPS-UHFFFAOYSA-N 368.374 2.993 5 1 FFBF CCCOc1ccc([N+](=O)[O-])cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1 13755572 DRKXFOGKAMGWJN-UHFFFAOYSA-N 357.370 2.812 5 1 FFBF COc1ccc(NC(=O)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N(C)C)cc1 20108190 UMVMIOPSSRLOEX-KRWDZBQOSA-N 373.365 2.574 5 3 FFBF C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 84653450 QVSVEAVMQZLVCJ-SNVBAGLBSA-N 351.340 2.543 5 1 FFBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1cccc(Cl)c1 96929442 AKQDENAMYGMPRF-HNNXBMFYSA-N 363.761 2.644 5 1 FFBF CCOC(=O)c1nn2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2c1Cl 29060797 GKDOPYMMJRXSPF-UHFFFAOYSA-N 371.136 2.980 5 1 FFBF Cc1cc2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2cc1[N+](=O)[O-] 586951423 MYFNIAWTHUHEJN-UHFFFAOYSA-N 367.412 2.583 5 1 FFBF COc1cc(OCc2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1[N+](=O)[O-] 587263272 PPLQJIIFVVQIRM-UHFFFAOYSA-N 361.285 2.896 5 1 FFBF O=C(O)COc1cc(Cl)ccc1C(=O)NCc1cccc([N+](=O)[O-])c1 13137481 VABIMMIJVWNHFI-UHFFFAOYSA-N 364.741 2.642 5 1 FFBF in-vivo COc1ccc(S(=O)(=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 29484642 PTQHZBGUEFMKCF-UHFFFAOYSA-N 359.363 2.567 5 1 FFBF Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21 63298113 GXFGHUNNGNQSMQ-UHFFFAOYSA-N 367.796 2.766 5 1 FFBF COc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)nn1-c1ccccc1F 587156413 NFYJSUBPCMBYSY-UHFFFAOYSA-N 354.301 2.867 5 1 FFBF COc1cc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc([N+](=O)[O-])c1O 963607058 IWFGOPKMGILXRX-MGNBDDOMSA-N 374.393 2.950 5 1 FFBF Cc1c2ccn([C@@H]3OC[C@@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 377819828 WETNUNOIAPCCPU-DUXKGJEZSA-N 364.401 2.916 5 1 FFBF Cn1cc(-c2cnc3ncnc(NCc4cccc([N+](=O)[O-])c4)c3c2)cn1 653819858 OFNXGWORSOKHBJ-UHFFFAOYSA-N 361.365 2.946 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H](C2)C3=O 587431176 CQBFVTLXJBCGSB-APPDUMDISA-N 357.318 2.806 5 1 FFBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc[nH]c1[N+](=O)[O-] 587580793 ZICLYFIHKWZAFB-WBMJQRKESA-N 353.290 2.726 5 1 FFBF O=[N+]([O-])c1ccc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c([N+](=O)[O-])c1 587265477 UVGCKCFCVJHUHA-UHFFFAOYSA-N 354.282 2.552 5 1 FFBF COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@H]34 36378748 JOAAIYRFWUHKSF-DXQCCXLBSA-N 352.434 2.574 5 1 FFBF Cc1cc2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2cc1[N+](=O)[O-] 587269747 NULXTNQUXVFILM-UHFFFAOYSA-N 365.309 2.935 5 1 FFBF COc1ccc(COc2cc([N+](=O)[O-])ccc2N(C)S(C)(=O)=O)cc1 35324669 UHNAMBHQHKAXBY-UHFFFAOYSA-N 366.395 2.578 5 1 FFBF CC(=O)NC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCC(C)CC1 587233730 BKLHAUKVGJASQU-UHFFFAOYSA-N 361.358 2.921 5 1 FFBF O=C(c1cccc([N+](=O)[O-])c1)N1CC(=O)N2CCCc3ccccc3[C@@H]2C1 26174966 UFTBSQSFBWCKEC-SFHVURJKSA-N 365.389 2.567 5 1 FFBF O=[N+]([O-])c1cc2n(n1)C[C@H](OCc1ccc(OC(F)(F)F)cc1)CN2 40411618 GFVMHDKZPCGREP-LLVKDONJSA-N 358.276 2.701 5 1 FFBF COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@@H]1O[C@H](O)C[C@@H]41 230076874 ATDWDHGTLHHXNU-OPOHFNCPSA-N 356.330 2.504 5 1 FFBF endogenous,in-man O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1ccc([N+](=O)[O-])cc1 13980687 OHDQDTXPMQEJEU-UHFFFAOYSA-N 371.374 2.604 5 1 FFBF CONC(=O)c1ccc(CCSc2ccc([N+](=O)[O-])c3nonc23)cc1 299820028 FAWDULVZIAWLBN-UHFFFAOYSA-N 374.378 2.757 5 1 FFBF CC(C)S(=O)(=O)Nc1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 586950766 LOQMWYYTCMTZHJ-UHFFFAOYSA-N 361.383 2.683 5 1 FFBF N=C(NCc1ccc(O)cc1)[C@@H]1CCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 1857620500 FWSNCLJGCIAQKJ-KRWDZBQOSA-N 368.393 2.558 5 1 FFBF COc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1F 587269690 MIKNACZFMZCQSF-UHFFFAOYSA-N 354.301 2.867 5 1 FFBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(Br)c(O)c3[nH]2)n1 587275080 SNPNRTAAABDHIZ-UHFFFAOYSA-N 366.175 2.769 5 1 FFBF CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccccc1[N+](=O)[O-] 169730667 UBTIAHCMYHTVJS-JKSUJKDBSA-N 356.334 2.981 5 1 FFBF Cc1ccc2nc(C)c(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)n2c1 1857751427 DLXHSHIXYGNKJC-UHFFFAOYSA-N 353.382 2.701 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(F)cnc(Br)c2[nH]1 587266951 CPMHQMUYRIBXFG-ZCFIWIBFSA-N 369.154 2.882 5 1 FFBF Cc1cc(N(C)Cc2nc3ccc(C(N)=O)cc3[nH]2)c([N+](=O)[O-])cc1F 587137391 YAUWJJSFXABIJZ-UHFFFAOYSA-N 357.345 2.654 5 1 FFBF CCOC(=O)Nc1cc(N[C@H](C)C(=O)c2ccccc2)c([N+](=O)[O-])c(N)n1 27194933 WUHXXPSMCNXRMM-SNVBAGLBSA-N 373.369 2.824 5 1 FFBF COCCOc1ccc(-c2nc3cccc(C(=O)OC)c3[nH]2)cc1[N+](=O)[O-] 587266071 VHBNLKHPJPHPKR-UHFFFAOYSA-N 371.349 2.950 5 1 FFBF CCOC(=O)C1=C(C)NC(CC)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 84726754 IFROGNZUKGVKFP-INIZCTEOSA-N 374.393 2.956 5 1 FFBF CC[C@H](C)[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)O 5543695 IVACLNSXZIMXDY-MEDUHNTESA-N 352.390 2.910 5 1 FFBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@](C)(Cl)CO)O3 14689044 NJSSDVNYKRNTDP-DNVCBOLYSA-N 359.809 2.691 5 1 FFBF endogenous,in-man CCCc1c2nc(C(=O)O)cc(OC)c2cc2c(=O)cc(C(=O)O)oc12 29485463 LCLXILPTTPPEGC-UHFFFAOYSA-N 357.318 2.699 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(F)nc3)nc1)CC2 1772639743 OIEYOABZIHTUHL-ZDUSSCGKSA-N 371.328 2.618 5 1 FFBF C/C=C1\C[C@H]2C[C@@]34N(C)c5ccccc5[C@@]3(CC[N+]4([O-])C1)[C@@H]2C(=O)OC 238787135 HWRPAEYYUTVKCO-JLUKLEEWSA-N 354.450 2.948 5 1 FFBF COCCNc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1[N+](=O)[O-] 587262307 QLPXBFXPMNWUOU-MRXNPFEDSA-N 370.369 2.920 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O 587434780 ZPNZAMBIRPTEPC-BTDLBPIBSA-N 372.289 2.706 5 1 FFBF COC(=O)[C@@]12CCCC=C1C[N+]1([O-])CCc3cc(OC)c(OC)cc3[C@@H]21 85951070 LXHLCKTUQQZKAL-WZENJKSDSA-N 359.422 2.899 5 1 FFBF Cc1ccncc1[C@@]1(c2ccc([N+](=O)[O-])cc2)c2nn(C)cc2CCN1C 963955702 RNAYPNFSXDQEJK-FQEVSTJZSA-N 363.421 2.812 5 1 FFBF N[C@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@@H]1c1ccccc1F 587154459 PGXYRDLLYITFEE-JDNHERCYSA-N 357.301 2.860 5 1 FFBF CCOC(=O)c1c(C)n2c3ccccc3c(=O)n2c2ccc3c(c12)OCO3 1911582141 HZCHWOFOZYAVOY-UHFFFAOYSA-N 364.357 2.919 5 1 FFBF Cc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1F 587270788 OUFMHEMQJRVHMY-AWEZNQCLSA-N 371.372 2.817 5 1 FFBF O=[N+]([O-])c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587008741 NUXQPCDRBJXPER-UHFFFAOYSA-N 359.143 2.943 5 1 FFBF O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)c(N3CCOCC3)n2)cc1 978193 BVYPZQXQXPMELU-UHFFFAOYSA-N 363.377 2.950 5 3 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)cnc3[nH]2)[C@H]1C[N+](=O)[O-] 587265279 VLVCBJMPZRXDHC-QNSHHTMESA-N 356.304 2.637 5 1 FFBF CCS(=O)(=O)CCSc1nnc(-c2cccc([N+](=O)[O-])c2)s1 29043810 HASBKPPMZWUQPQ-UHFFFAOYSA-N 359.454 2.640 5 1 FFBF NS(=O)(=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 587139639 MYTNEIUYYWOOEG-UHFFFAOYSA-N 370.749 2.578 5 1 FFBF Cn1c(=O)nc2n(-c3cccc(C(F)(F)F)c3)c3ccccc3nc-2c1=O 13755539 YRGNPRUMQHQEEU-UHFFFAOYSA-N 372.306 2.603 5 1 FFBF COCCOc1ccc(-c2nc3ccc(CCO)cc3[nH]2)cc1[N+](=O)[O-] 587266464 YKWXWDUCHCEHFQ-UHFFFAOYSA-N 357.366 2.698 5 1 FFBF CC[C@@H](C)Nc1nc2cc(Cl)c([N+](=O)[O-])cc2nc1S(C)(=O)=O 28951109 YZUCQXNEALYWBZ-SSDOTTSWSA-N 358.807 2.805 5 1 FFBF CC1=C(C(=O)O[C@H]2C=CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 36185140 OXDXBKRZMVVTHP-GOEBONIOSA-N 357.366 2.875 5 1 FFBF COC(=O)c1cc(OC)c2c(=O)c3c(C(=O)OC)c(OC)ccc3oc2c1 2356675165 JJGQDIBMHJAORS-UHFFFAOYSA-N 372.329 2.537 5 1 FFBF COc1cccc([C@@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)c1 5488234 VEMQQOYMUODDMI-QGZVFWFLSA-N 353.378 2.891 5 3 FFBF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587230832 NAKDMMZOQBQEIZ-QWHCGFSZSA-N 360.414 2.816 5 1 FFBF Cc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2n1 587266758 OGOBWDUNMMBSIV-YMTOWFKASA-N 372.341 2.617 5 1 FFBF O=C(O)c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587093079 UBLDSKVXJBWIPD-UHFFFAOYSA-N 355.232 2.595 5 1 FFBF Nn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccccc1 34751767 ZJGKYLNHVBVWPO-UHFFFAOYSA-N 358.339 2.627 5 1 FFBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc([N+](=O)[O-])cc1C 587871974 RHIIPYLVGCEBIZ-UHFFFAOYSA-N 373.344 2.841 5 1 FFBF COC(=O)C1(C(=O)OC)C/C=C/C/C=C/c2ccccc2[C@@H]1C[N+](=O)[O-] 169293222 QZINBYHRPRNVFU-MRBRFFFSSA-N 359.378 2.743 5 1 FFBF CCSCCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719573 FKYUNWPYDFVMHU-KGLIPLIRSA-N 365.411 2.733 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc(F)nc1)C2 66252222 SQPSPWUEIVICKY-AWEZNQCLSA-N 370.340 2.970 5 1 FFBF COc1cc2c3c(c1)O[C@@H](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C2)C3=O 587434797 ZTYUKMZUMRDGNC-ZBFHGGJFSA-N 355.346 2.971 5 1 FFBF CC1=C(C(=O)O[C@@H]2C=CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 36185144 OXDXBKRZMVVTHP-GDBMZVCRSA-N 357.366 2.875 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(F)nc3)nc1)CC2 1772639742 OIEYOABZIHTUHL-CYBMUJFWSA-N 371.328 2.618 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(F)nc3)cn1)CC2 1772642948 QEHFTDNMQHKVJK-ZDUSSCGKSA-N 371.328 2.618 5 1 FFBF CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 13780496 OIEKHNNGEYPVTH-KRWDZBQOSA-N 353.378 2.990 5 1 FFBF COc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(OC)c1O 587784739 CQNJRKDOXRDJSZ-UHFFFAOYSA-N 360.282 2.769 5 1 FFBF CC(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586920695 VBQALKCNBNPGBO-UHFFFAOYSA-N 359.363 2.648 5 1 FFBF C/C=C1/C[N+]2([O-])[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 33830925 ATIZKZWYIGEWST-VLAYTLPWSA-N 368.433 2.580 5 1 FFBF biogenic,in-vitro Cc1cc(O)c2c(=O)c3oc4c(c(C)cc5c(=O)ccc(=O)c54)c3c(=O)c2c1 13415200 UNFYBEWELAGPCR-UHFFFAOYSA-N 372.332 2.531 5 1 FFBF biogenic CCN(C)C(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82135980 CFIPBTFACUDFEJ-UHFFFAOYSA-N 355.398 2.966 5 1 FFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)cnc2[nH]1 587277540 XWFVIQLPPRUVAI-SSDOTTSWSA-N 351.164 2.629 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COCc1ccc(OC(F)(F)F)cc1)C2 115603107 PVASYGHYWPVDDY-LLVKDONJSA-N 359.260 2.668 5 1 FFBF Cc1cc(/C=C2\NC(=O)NC2=O)cc(C)c1OCc1cccc([N+](=O)[O-])c1 1857654451 JYGKZNNGRLQLBH-SXGWCWSVSA-N 367.361 2.971 5 1 FFBF CCn1c2cc(N3CCSCC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 26260281 MXCLELCSIKPACL-UHFFFAOYSA-N 371.462 2.721 5 1 FFBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1cc(C)ccc1C 96929451 BPTUPQWXLQGLDX-KRWDZBQOSA-N 357.370 2.608 5 1 FFBF Cc1nn(C)cc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1CN1CCOCC1 587647691 MOYLMQMJOHNPNK-UHFFFAOYSA-N 355.398 2.617 5 1 FFBF C[N+](C)(C)CCNC(=O)c1cnc2c3c(cccc13)-c1ccccc1C2=O 43062837 ZKVICSMIPCVKAD-UHFFFAOYSA-O 360.437 2.882 5 1 FFBF Nc1c2c(nc3c1[C@@H](c1cccc([N+](=O)[O-])c1)NC(=S)N3)CCCC2 1857634591 AJVJINJDKFGAQT-OAHLLOKOSA-N 355.423 2.840 5 1 FFBF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc([N+](=O)[O-])cc1)CO2 29344751 UEFXUOGVGZTWCE-UHFFFAOYSA-N 357.326 2.654 5 1 FFBF CCN(CC)C(=O)c1ccc2c(c1)c1ccccc1c(=O)n2CC(=O)O 169327729 CJFWXQFFPQREKY-UHFFFAOYSA-N 352.390 2.721 5 1 FFBF CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1ccc([N+](=O)[O-])s1 73169597 XGWWBWLRJVNDET-AWEZNQCLSA-N 362.323 2.804 5 1 FFBF N[C@H](Cc1cc(-c2cc(O)cc(F)c2)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1857643641 KZXHXZJZFHGPRG-GFCCVEGCSA-N 354.721 2.714 5 1 FFBF C/C=C1\C[N+]2(C)[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 5759631 HOIYLJHQHXMJGO-YQVWNLFPSA-N 367.469 2.712 5 1 FFBF O=C(Cn1ccnc1[N+](=O)[O-])Nc1nc(-c2ccc(F)c(F)c2)cs1 299860370 GOABCPJBDQUQIS-UHFFFAOYSA-N 365.321 2.832 5 1 FFBF COCCNc1ccc(-c2nc3ccc(CCO)cc3[nH]2)cc1[N+](=O)[O-] 587262335 RVYQANHIRBLBRF-UHFFFAOYSA-N 356.382 2.731 5 1 FFBF O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 43260263 SDRLCGHALZLVSO-HNNXBMFYSA-N 358.266 2.951 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1n[nH]c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O 587432272 IWYFUZLOYRWUGU-SGTLLEGYSA-N 351.318 2.968 5 1 FFBF Cc1c(-c2nc3c(O)ncnc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980051 OBANIHUGYXSJCS-UHFFFAOYSA-N 350.132 2.705 5 1 FFBF C[C@@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)NCCc2c(C(=O)O)cccc21 963128993 CYMISIDDNTWCBF-IBGZPJMESA-N 369.377 2.683 5 1 FFBF CC(=O)Nc1c([N+](=O)[O-])cc2c(c1N1CCCCC1)C[C@H](O)C(C)(C)O2 40465519 HHIHSNHKXNFZSK-HNNXBMFYSA-N 363.414 2.618 5 1 FFBF Nc1ncc(Cl)nc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587087450 QWCNOGFSLDOVNS-UHFFFAOYSA-N 369.566 2.926 5 1 FFBF COCCNc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1[N+](=O)[O-] 587266444 XVONNSTYWHBHNH-UHFFFAOYSA-N 370.365 2.968 5 1 FFBF Cn1c([N+](=O)[O-])cnc1SCCCCOc1ccc(C(=O)O)cc1 169346999 MFUBIHAPWUELKA-UHFFFAOYSA-N 351.384 2.978 5 1 FFBF CC[C@H](C)NC(=O)c1cnc(NCCOC)nc1-c1cccc([N+](=O)[O-])c1 82135873 ZWERRFJFNRJCKZ-LBPRGKRZSA-N 373.413 2.638 5 1 FFBF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586974685 XFFHYKLTDVIEJF-OAHLLOKOSA-N 371.422 2.977 5 1 FFBF CSC[C@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169321944 XRURHDINNOKMIQ-LLVKDONJSA-N 360.387 2.747 5 1 FFBF O=C(/N=c1\[nH]c2ccccc2n1C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 36184973 MDRTXGAXFNLXEX-OAHLLOKOSA-N 366.377 2.798 5 1 FFBF COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434311 SPSIOFJFIIZYPI-HXPMCKFVSA-N 371.345 2.980 5 1 FFBF O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCSCc1ccccc1 169346443 FFNJTKBGIAURHR-INIZCTEOSA-N 362.451 2.858 5 1 FFBF Cn1nc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575542 FJDIOPBLYITGBH-QAPCUYQASA-N 367.317 2.737 5 1 FFBF O=c1nc2n(-c3ccccc3)c3c(Br)cccc3cc-2c(=O)[nH]1 96286460 GGFUKLFNBYOFFR-UHFFFAOYSA-N 368.190 2.941 5 1 FFBF COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1O[C@H](O)C[C@H]41 14715682 ATDWDHGTLHHXNU-CCZCPNHSSA-N 356.330 2.504 5 1 FFBF endogenous,in-man C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263161 KIGGHYQDLPTAJE-IEBDPFPHSA-N 366.215 2.986 5 1 FFBF CCCOC(=O)Cc1ccc2oc3cc(=O)c(NC(C)=O)cc-3nc2c1 2356799587 UPIKRMUIPURXLQ-UHFFFAOYSA-N 354.362 2.747 5 1 FFBF COc1nn(CCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1[N+](=O)[O-] 587875473 OYXZDFOMNUTARB-UHFFFAOYSA-N 373.300 2.639 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cnncc2[nH]1 587263338 LNZLRAMNBADJMJ-VIFPVBQESA-N 357.326 2.612 5 1 FFBF CCN(CC)CCn1c2cc(NC)c(N)cc2c(=O)c2c(O)cc(O)cc21 26255293 PBBXJPDSJNZLNM-UHFFFAOYSA-N 370.453 2.532 5 1 FFBF N=c1[nH]c2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc-2c(Cl)[nH]1 587269830 RHBMENFXFREKAY-UHFFFAOYSA-N 359.777 2.546 5 1 FFBF Cc1cccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587271594 GKHKBMWEGAJKIF-AWEZNQCLSA-N 353.382 2.678 5 1 FFBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])nn2C)N1 587751128 KYPCIGLNNAWACX-JKYUHCHBSA-N 369.194 2.854 5 1 FFBF C[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276121 JJPGWQUSVWKIPH-LURJTMIESA-N 352.148 2.745 5 1 FFBF C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 43119261 GPSZYYQYTBZUGG-BIWSTMPVSA-N 364.512 2.828 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1[N+](=O)[O-])OCO4)[C@@H](C2)C3=O 587433129 OJIUYGJTYMAPQQ-VOJFVSQTSA-N 355.302 2.821 5 1 FFBF O=C(COc1ccc([N+](=O)[O-])cc1)n1ncc2ccc(Cl)cc2c1=O 587652944 PGXBTRNTKKQHTH-UHFFFAOYSA-N 359.725 2.677 5 1 FFBF CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ccc([N+](=O)[O-])cn1 13746135 MZPJNZSZBPJMFU-AREMUKBSSA-N 371.422 2.549 5 1 FFBF O=C1c2ccccc2C(=O)N1COC(=S)Nc1ccc([N+](=O)[O-])cc1 28520999 RAMSGUDTNPUBBI-UHFFFAOYSA-N 357.347 2.562 5 1 FFBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cnccc3[nH]2)CC1 587270022 HPRHLFWJPCDBTP-UHFFFAOYSA-N 351.366 2.886 5 1 FFBF COc1cc([C@H]2N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]3CCCN32)ccc1O 1857545573 CEXZOEADMIIIHX-MAUKXSAKSA-N 369.377 2.819 5 1 FFBF O=c1c2ccccc2n(C[C@@H](O)CN2CCOCC2)c2c(Cl)cccc12 49807558 SMMYRTZCNYYRQL-AWEZNQCLSA-N 372.852 2.501 5 1 FFBF O=C1CSc2ccccc2N1Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 653794512 OQNYRMHPSMEKRV-UHFFFAOYSA-N 367.390 2.814 5 1 FFBF COc1cc([N+](=O)[O-])c(F)cc1[C@H]1c2ccsc2CCN1C(N)=O 962710487 LZDLOZUOTQFQAH-CQSZACIVSA-N 351.359 2.830 5 1 FFBF COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(-n3ccnc3)c21 12354967 UIQQXOMFRCHRNJ-NTMALXAHSA-N 351.322 2.610 5 1 FFBF Cc1nn(C)c(C)c1Nc1ccc(N2C(=O)C[C@@H](C)C2=O)cc1[N+](=O)[O-] 4684391 RMFZAESFYNTGSU-SECBINFHSA-N 357.370 2.588 5 1 FFBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCNCC2)cc1 103245420 NFOGBOUKMJUCAG-XCVCLJGOSA-N 352.394 2.656 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cncc(-c3ccc(F)cc3)c1)C2 66251775 PHRMXIPCCZTEFX-INIZCTEOSA-N 370.340 2.970 5 1 FFBF CCS(=O)(=O)CCSc1nnc(-c2ccccc2[N+](=O)[O-])s1 29043824 IXFXCVLTFRQPOQ-UHFFFAOYSA-N 359.454 2.640 5 1 FFBF CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1ccc([N+](=O)[O-])s1 73169598 XGWWBWLRJVNDET-CQSZACIVSA-N 362.323 2.804 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(=N)[nH]cc2[nH]1 587264357 QROBZHVFQVHAOW-VIFPVBQESA-N 371.353 2.630 5 1 FFBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@@](C)(Cl)CO)O3 14689040 NJSSDVNYKRNTDP-BEFAXECRSA-N 359.809 2.691 5 1 FFBF endogenous,in-man O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cc3)cn1)C2 66262720 AMONCAYAQHJZKI-INIZCTEOSA-N 370.340 2.970 5 1 FFBF Cc1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] 587652427 DNEYYWKPKXDMTK-UHFFFAOYSA-N 373.752 2.986 5 1 FFBF COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1O[C@@H](O)C[C@@H]41 14715684 ATDWDHGTLHHXNU-XFEHBMGASA-N 356.330 2.504 5 1 FFBF endogenous,in-man CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cccc(OC(C)=O)c3oc2c1 14821924 MLIXTGRWQUJPCV-UHFFFAOYSA-N 370.313 2.722 5 1 FFBF CC[C@@H]1[C@@H]2CC[N+]3([O-])CC[C@]4(C(=C2C(=O)OC)Nc2c(OC)cccc24)[C@H]13 100268624 JTSRXZFJQAYPGA-QOLURFTNSA-N 370.449 2.932 5 1 FFBF COc1cc2c(=O)oc3c(OC)cc(OC)c4c(=O)oc(c1OC)c2c34 238749578 AEKMVEAMGNTMOW-UHFFFAOYSA-N 358.302 2.525 5 1 FFBF O=[N+]([O-])c1ccc(CN2[C@H](COCc3ccccc3)C=CS2(=O)=O)cc1 96021117 AYYXSDVYNCXWLJ-SFHVURJKSA-N 374.418 2.839 5 3 FFBF COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587091708 HZPPXYDWHIYDBH-UHFFFAOYSA-N 369.259 2.684 5 1 FFBF C[C@@H](c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O 13553694 AXLDVANRUJQULH-VIFPVBQESA-N 368.780 2.601 5 1 FFBF CC(=O)N(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1 38261192 URPHAAMZWOJBJQ-UHFFFAOYSA-N 373.365 2.973 5 1 FFBF C/C=C1\C[N@@+]2([O-])CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC 1857614586 OHHVPGGPHFGQKF-LIHLBDDTSA-N 370.449 2.827 5 1 FFBF C/C=C1/C[N+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC 103290502 MOOPNKBUQLUWAB-IOWQULNYSA-N 369.485 2.959 5 1 FFBF COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ncccc2c1 13815802 IAYNMADNUFPUBT-UHFFFAOYSA-N 359.363 2.952 5 1 FFBF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587230829 NAKDMMZOQBQEIZ-CHWSQXEVSA-N 360.414 2.816 5 1 FFBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@](O)(c1nccn1C)C(F)(F)F 587645450 VRIYMWIMIMXJLP-CQSZACIVSA-N 354.288 2.916 5 1 FFBF C[C@@H](OC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)C(=O)Nc1cccc([N+](=O)[O-])c1 101851755 SPJWEGXSEYKINW-AGIUHOORSA-N 374.393 2.860 5 1 FFBF O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCO4)nn1CC(F)(F)F 587092004 KTVMPBOTSQHZAB-UHFFFAOYSA-N 355.232 2.626 5 1 FFBF C[N+](C)(C)c1cccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1 169315871 OHCFKRHEXLJZCW-UHFFFAOYSA-N 351.404 2.700 5 1 FFBF N[C@H](Cc1cscn1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587027424 CSVXTGXUXJTYPR-MRVPVSSYSA-N 368.216 2.933 5 1 FFBF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1[N+](=O)[O-])(C(=O)O)O2 587389278 KEROKFUATHGNNW-GOSISDBHSA-N 356.334 2.517 5 1 FFBF O=[N+]([O-])c1ccc([S@](=O)(=NSC(F)(F)F)N2CCOCC2)cc1 1857586225 GJILLEQDEVCAJZ-QHCPKHFHSA-N 371.362 2.837 5 1 FFBF COC(=O)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C 82082700 XGGPNOWQVAMOPL-CYBMUJFWSA-N 363.395 2.646 5 1 FFBF CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)COC1(C)C 473169882 OJWMVWMYURCVMN-CYBMUJFWSA-N 365.386 2.905 5 1 FFBF biogenic O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1cccnc1)C2 66252010 HPOXNWRVRCXOHD-HNNXBMFYSA-N 352.350 2.831 5 1 FFBF C=C(C(=O)O)c1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O 587937848 ZCFMZQDVBINADG-UHFFFAOYSA-N 369.127 2.657 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(F)cn3)cn1)CC2 1772590223 BEPRIHUSWRXPPZ-ZDUSSCGKSA-N 371.328 2.618 5 1 FFBF CC(=O)[C@@H]1[C@@H]2CC[C@@H]3C[C@H](C)[C@](O)(c4ccccc4)[C@H](C[C@@]1(C)O)[N@+]23C 2356309638 XNIPGJVYVQXXGX-YLULEFOQSA-N 358.502 2.620 5 1 FFBF Cc1cc(=[N+](C)C)cc2sc3cc(N4CCN(C)CC4)cc(C)c3nc1-2 139536029 JOOFMSXVIPEWIB-UHFFFAOYSA-N 367.542 2.802 5 1 FFBF in-vivo COC(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1OC 587270610 OKIPXQRDOJXFEE-ZDUSSCGKSA-N 370.365 2.509 5 1 FFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=N)N)cc2[nH]1 587265040 LBZOIXIIFKAKQX-QMMMGPOBSA-N 369.341 2.836 5 1 FFBF O=[N+]([O-])c1cc(Br)cc2nc(C[S@@](=O)CC3CC3)[nH]c12 586960190 VBKYQZWSLICCOD-FQEVSTJZSA-N 358.217 2.892 5 1 FFBF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169723653 VVTJQHCRBOHFTD-ZBFHGGJFSA-N 360.366 2.779 5 1 FFBF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@H]1CCO[C@H]1O4 6017984 RCUCNKLTNYOKIJ-YLVJLNSGSA-N 356.330 2.891 5 1 FFBF biogenic COc1cccc([C@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)c1 5488215 VEMQQOYMUODDMI-KRWDZBQOSA-N 353.378 2.891 5 3 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H]1C[N+](=O)[O-] 587265918 YKHOKSRYLVMEJV-HLTSFMKQSA-N 356.304 2.637 5 1 FFBF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1[N+](=O)[O-] 29469659 ROJFRBNEXBVCSI-UHFFFAOYSA-N 366.303 2.868 5 1 FFBF CCOC(=O)C=Cc1cc(C=CC(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] 2356875731 GNYXEDLKXWQGOU-UHFFFAOYSA-N 364.310 2.656 5 1 FFBF CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)CC1 587648800 LRRMTGLIHLFDPD-UHFFFAOYSA-N 359.382 2.800 5 1 FFBF O=C1CCN(Cc2ccc3oc4cccc5c(=O)[nH]nc(c3c2)c45)CCO1 299853511 LWSLDMCDFCONCL-UHFFFAOYSA-N 363.373 2.571 5 1 FFBF CN1CCN(CCCOc2ccc3c(=O)c4ccccc4oc3c2)CC1 71297006 MQURARBVAFPGBT-UHFFFAOYSA-N 352.434 2.963 5 1 FFBF CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3c(OC(C)=O)cccc3oc2c1 14821969 RUHHEUCZVGOZJX-UHFFFAOYSA-N 370.313 2.722 5 1 FFBF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586906357 BVZYMJHESICHGL-MRVPVSSYSA-N 356.294 2.960 5 1 FFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cncc(Br)c2[nH]1 587277515 XLSMICARYRCNLL-ZETCQYMHSA-N 351.164 2.629 5 1 FFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(C(=O)O)c2[nH]1 587118489 QPNNETLMIILWAR-UHFFFAOYSA-N 369.259 2.741 5 1 FFBF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587094874 VIPIDAFNNRUUGJ-RXMQYKEDSA-N 361.236 2.509 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1cc(C=O)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587433111 NUWYTIDKCNJAQT-SGTLLEGYSA-N 355.302 2.610 5 1 FFBF O=C1C[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)Oc2c1ccc1c2CCCC1 587511547 HMMCBRBVCBTXDK-FQEVSTJZSA-N 369.373 2.645 5 1 FFBF O=C(O)C[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccc([N+](=O)[O-])cc1)[C@@H]23 1772586445 SFZUPSFKHXLDIN-MMTROXRISA-N 373.453 2.744 5 1 FFBF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160451 SHPUKSOSKFPUHE-UHFFFAOYSA-N 364.358 2.528 5 1 FFBF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1 962920965 NHGXTTHPODFGSR-WMLDXEAASA-N 355.325 2.904 5 1 FFBF COc1cc(Cl)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587067314 TWAIKSVXIHKWFM-UHFFFAOYSA-N 362.729 2.920 5 1 FFBF O=c1[nH]c2cc(F)c(OCCCc3ccccc3)c([N+](=O)[O-])c2nc1O 13761209 VNQLCFICOVVCGM-UHFFFAOYSA-N 359.313 2.688 5 1 FFBF Cc1ccc(S(=O)(=O)N(C)NSc2ccccc2[N+](=O)[O-])cc1 28265537 GGWWPVVUOXGFLF-UHFFFAOYSA-N 353.425 2.736 5 1 FFBF CCOC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1ccc([N+](=O)[O-])cc1 28570193 WFTLEKMPLLAMNU-UHFFFAOYSA-N 371.301 2.956 5 1 FFBF CCNC(=O)c1ccc(NCc2cnc3cc([N+](=O)[O-])ccc3n2)cc1 98083399 WLMUVIHQHNMWKZ-UHFFFAOYSA-N 351.366 2.900 5 1 FFBF O=[N+]([O-])c1cnc2n1C[C@@H](COc1ccc(-c3ccc(F)cc3)nc1)O2 653728721 WEMYBWNTJLJXNO-AWEZNQCLSA-N 356.313 2.832 5 1 FFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(F)cnc(Cl)c4[nH]3)nn2)c1 587270090 PQTMMKYDMDAUGN-UHFFFAOYSA-N 359.708 2.906 5 1 FFBF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587223767 FWIWVOKYDRCCIM-JTQLQIEISA-N 358.329 2.694 5 1 FFBF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)/C=C/[N+](=O)[O-] 1772590580 NGVFUFFEHBAUON-OOCSTFOJSA-N 363.414 2.623 5 1 FFBF C[N+](C)(C)CCCCC/C=C(\NC(=O)[C@@H]1CC1(Cl)Cl)C(=O)O 26020539 DHCWNKSMKLLZGJ-LCFDYFRESA-O 352.282 2.532 5 1 FFBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@](O)(c1nccn1C)C(F)(F)F 587645372 SMIUWZZXFQYRDA-AWEZNQCLSA-N 354.288 2.916 5 1 FFBF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 6333412 HSGNUDDAIMKDDJ-UHFFFAOYSA-N 357.731 2.957 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(F)cc3)cn1)C2 72126025 YANRSNFKZYPVNQ-AWEZNQCLSA-N 356.313 2.832 5 1 FFBF COc1ccc(C(=O)c2ccc(=O)n(-c3ccc([N+](=O)[O-])cc3)c2)c(O)c1 45300081 RDUANONEZHWIJF-UHFFFAOYSA-N 366.329 2.691 5 1 FFBF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@H](C)C[C@H](OC)N1C 103216524 PTCRNTLFIVAYCE-RISCZKNCSA-N 354.838 2.947 5 1 FFBF CC1=Nc2cc(=O)[nH]n2[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)OC(C)C 100861685 BPQOBCDNPBAZFQ-SCDSTIRESA-N 358.354 2.975 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C2)C3=O 587431280 DCYSQLPOYXYGRG-GTNSWQLSSA-N 357.318 2.806 5 1 FFBF Cc1cnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 587264881 ADUZLRMAWGXLGS-XPTSAGLGSA-N 372.341 2.617 5 1 FFBF CCCCCc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N[C@@H]1CCOC1=O 587646953 NPTXXLCEUFIXKU-CQSZACIVSA-N 359.382 2.854 5 1 FFBF Cc1nc[nH]c1Cn1ccc2c(C(=O)N(C)C)cc3ccccc3c2c1=O 26977858 TXOXPIWHAZEUDE-UHFFFAOYSA-N 360.417 2.936 5 1 FFBF CN(C)CCNc1ccnc2c1ccc1c(NCCN(C)C)ccnc12 45340375 ORQGWGGEJMOKGN-UHFFFAOYSA-N 352.486 2.730 5 1 FFBF C[C@]1(COc2ccc(-c3ccc(F)nc3)nc2)Cn2cc([N+](=O)[O-])nc2O1 653733769 MQIRZZCIQFUHNI-QGZVFWFLSA-N 371.328 2.618 5 1 FFBF Cc1cc2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2cc1[N+](=O)[O-] 587264690 PPCQWJAGKZRYLY-JTQLQIEISA-N 357.326 2.636 5 1 FFBF COc1ccc(C=O)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1OC 587791548 FPYKVXPQXQFVPZ-UHFFFAOYSA-N 372.293 2.876 5 1 FFBF COc1nn([C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1[N+](=O)[O-] 587875890 UUWWEEZQJFVDPC-MRVPVSSYSA-N 373.300 2.810 5 1 FFBF O=C(c1ccc([N+](=O)[O-])o1)c1c(CO)oc2cc(Br)cnc12 587276930 UWNGKWXXBHEVII-UHFFFAOYSA-N 367.111 2.815 5 1 FFBF CC(=O)N1N=C(c2ccc3c(c2)OCCO3)O[C@H]1c1ccc([N+](=O)[O-])cc1 73197586 PSROPFPLFYZINS-SFHVURJKSA-N 369.333 2.605 5 1 FFBF Cc1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c([N+](=O)[O-])c1 587653227 SJZYJKYMKZLLRK-UHFFFAOYSA-N 373.752 2.986 5 1 FFBF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1[N+](=O)[O-])(C(=O)O)O2 587389279 KEROKFUATHGNNW-SFHVURJKSA-N 356.334 2.517 5 1 FFBF CC(=O)O[C@@H](c1ccc(C)cc1)[C@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C 40975145 BGQWDFPFZPGIPZ-HOTGVXAUSA-N 361.354 2.545 5 1 FFBF O=C(O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081281 WMBKMEBYVWDSPU-SNVBAGLBSA-N 361.379 2.655 5 1 FFBF N[C@@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@@H]1c1ccccc1F 587154457 PGXYRDLLYITFEE-ABKXIKBNSA-N 357.301 2.860 5 1 FFBF COc1ccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1OC 587925203 CLKLNOOWWHUOLV-UHFFFAOYSA-N 358.310 2.987 5 1 FFBF CC(C)[C@@H]1O[C@@]2(O)C3=C(CCN3C1=O)c1nc3ccccc3c3ccnc2c13 14693398 KIKGCFUXDPHGDY-PGRDOPGGSA-N 373.412 2.940 5 1 FFBF biogenic O=C(O)Cc1ccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587960270 YDAURZWGRMBPCA-UHFFFAOYSA-N 356.294 2.597 5 1 FFBF COCCOc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1[N+](=O)[O-] 587265271 NSMXPNWXXVKTGI-MRXNPFEDSA-N 371.353 2.887 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1OC(F)(F)F)C2 82156454 BCLVTOZEADQGQX-JTQLQIEISA-N 359.260 2.668 5 1 FFBF O=[N+]([O-])c1cc(-c2nnn(Cc3cccc(Cl)c3)n2)cc([N+](=O)[O-])c1 1772635218 XUGXCLWYPOFRBY-UHFFFAOYSA-N 360.717 2.858 5 1 FFBF Cc1ncc([N+](=O)[O-])n1CCCCCn1cnc2cc(F)ccc2c1=O 473122481 SFUVZJCZVFJJGM-UHFFFAOYSA-N 359.361 2.819 5 1 FFBF O=[N+]([O-])c1cc([N+](=O)[O-])c2no[n+]([O-])c2c1Nc1nc2ccccc2s1 473243912 FNBWJHMLHHWWBX-UHFFFAOYSA-N 374.294 2.631 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc4c1OCOC4)[C@@H](C2)C3=O 587431317 DGKQRHINCSSGPY-ORAYPTAESA-N 369.329 2.959 5 1 FFBF Cc1cnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 587264879 ADUZLRMAWGXLGS-LKFCYVNXSA-N 372.341 2.617 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(F)cc3)nn1)CC2 1772618431 DJYACKOKJDWRNH-ZDUSSCGKSA-N 371.328 2.618 5 1 FFBF CN(C)CCCN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21 5688816 GEFQEJNPVKRNSC-UHFFFAOYSA-N 366.421 2.731 5 1 FFBF Cc1cnc(C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)n1CC1CC1 1857769395 AKDBFOIKYGTZCH-CQSZACIVSA-N 358.398 2.808 5 1 FFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)nn2)c1 587270175 RIYSPYCZHRKIOB-UHFFFAOYSA-N 351.282 2.627 5 1 FFBF Cc1c(O)ccc2c1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N[C@H](C(=O)O)C2 963523330 HDNFKHLWHBSQIG-XJKSGUPXSA-N 362.769 2.951 5 1 FFBF O=C(O)c1cc(O)cc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c1 587924881 BGRRPVBVFBGBCU-UHFFFAOYSA-N 356.290 2.868 5 1 FFBF O=[N+]([O-])C1=Cc2ccccc2O[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 43799449 VQXPACRYZRPVFC-OAHLLOKOSA-N 358.266 2.951 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H]1C[N+](=O)[O-] 587265930 YKHOKSRYLVMEJV-VGMNWLOBSA-N 356.304 2.637 5 1 FFBF O=C(Nc1nc2ccccc2n1[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 36184952 PWBAVKAKXWGVEW-OAHLLOKOSA-N 366.333 2.685 5 1 FFBF O=[N+]([O-])c1ccc(Cc2nc3cc4c(cc3[nH]2)OCCO4)c([N+](=O)[O-])c1 587264934 QLTXCLAILADKER-UHFFFAOYSA-N 356.294 2.741 5 1 FFBF CCOC(=O)Cc1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587268238 YKJICLGCYHECPQ-NSHDSACASA-N 357.370 2.691 5 1 FFBF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1[N+](=O)[O-])OCO4)[C@@H](C2)C3=O 587431246 CZFBSCABQQIIRH-BUXKBTBVSA-N 369.329 2.995 5 1 FFBF O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCCc2ccccc2)CC1 13782168 WQKFVGQRIJOUHF-UHFFFAOYSA-N 367.449 2.914 5 1 FFBF CCCCNC(=O)c1cnc(NCCOC)nc1-c1cccc([N+](=O)[O-])c1 82214807 MATOTXDXDBOUMX-UHFFFAOYSA-N 373.413 2.640 5 1 FFBF Cc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174520 CXNWWGGNGVTLPM-UHFFFAOYSA-N 367.365 2.852 5 1 FFBF COc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)nn1-c1ccccc1F 587155786 HGOUBUIEMYEDRW-UHFFFAOYSA-N 354.301 2.867 5 1 FFBF COc1ccccc1-n1nnnc1Sc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1772634698 RVINAIJFZUFZAK-UHFFFAOYSA-N 374.338 2.639 5 1 FFBF O=c1c2cc(Cl)ccc2oc2cc(OCCO[N+](=O)[O-])cc(O)c12 1857749410 TXUUYTVSPZJWHY-UHFFFAOYSA-N 351.698 2.892 5 1 FFBF O=[N+]([O-])c1cc2n(n1)C[C@@H](OCc1ccc(OC(F)(F)F)cc1)CO2 40899742 QHIQCMALCARQKW-LLVKDONJSA-N 359.260 2.668 5 1 FFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Br)c(O)c2[nH]1 587276512 LLHSULCIQNHBPZ-ZETCQYMHSA-N 366.175 2.939 5 1 FFBF COC(=O)CC[C@@H]1N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC1=O 13860462 UDXUQDLOQLXKBW-INIZCTEOSA-N 367.361 2.706 5 1 FFBF Nc1nc2oc3ccc(C4CCC(O)CC4)cc3c(=O)c2cc1C(=O)O 1857649843 MNBUVQJXQYKUPN-UHFFFAOYSA-N 354.362 2.640 5 1 FFBF O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@H](OCC1CC1)CCO2 1857604162 KKZQHEUHUZCJIV-CQSZACIVSA-N 364.398 2.768 5 1 FFBF CCCCOC(=O)c1nc(O)c2cc3cc(OC)c(OC)cc3nc2n1 26645439 CFHFSDFUIXTXBW-UHFFFAOYSA-N 357.366 2.858 5 1 FFBF C[C@@H]1O[C@H](c2cccc([N+](=O)[O-])c2)OC[C@H]1NC(=O)Cc1ccccc1 28826596 GNKMDNZIVQOXTR-BOFPYLFWSA-N 356.378 2.756 5 1 FFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)O2 587391744 YEBBBESHUBXGLO-CQSZACIVSA-N 359.294 2.806 5 1 FFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(S)nc(S)nc2[nH]1 587159776 XWHRHIRBGLQGDI-UHFFFAOYSA-N 353.360 2.557 5 1 FFBF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1c1cc([N+](=O)[O-])ccc1O 26183625 KLQQVDKAGDRJSS-NWCRWOLESA-N 362.338 2.722 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263983 PVGXMOSHNWGUBE-QYNIQEEDSA-N 359.279 2.780 5 1 FFBF CC[C@H]1[C@@H]2CC[N+]3([O-])CC[C@]4(C(=C2C(=O)OC)Nc2c(OC)cccc24)[C@H]13 100268627 JTSRXZFJQAYPGA-WMVCWIRXSA-N 370.449 2.932 5 1 FFBF Cc1nc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2cc1Br 587273082 HQRBDEAZRQINSC-UHFFFAOYSA-N 365.191 2.766 5 1 FFBF COc1ccc(Br)c2nc3c(C(=O)NC#N)cccc3nc12 1857629040 SUYYCKIMMHXBES-UHFFFAOYSA-N 357.167 2.765 5 1 FFBF CN(C)CCCNc1ccc2nnn3c4ccc(Cl)cc4c(=O)c1c23 26718435 SLULWUKPPDCISN-UHFFFAOYSA-N 355.829 2.851 5 1 FFBF CSc1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)NC2=O)cc1 27709370 ACLWJNJFCWXEKE-UHFFFAOYSA-N 355.375 2.796 5 1 FFBF COc1c(Cl)ccc2c(=O)c3cc4c(c(O)c3oc12)[C@]1(O)C=CO[C@@H]1O4 238775763 RQEWHUMVUNMQIN-QZTJIDSGSA-N 374.732 2.764 5 1 FFBF COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Cl 587263917 PANGWNSPEBFAMR-UTLUCORTSA-N 351.790 2.885 5 1 FFBF C/C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)=C1/C=Nc2ccccc21 15934491 CVBOBAHGKXNUSB-RVDMUPIBSA-N 358.379 2.525 5 3 FFBF COc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1C 586919770 GZAVNNRXNPKPCD-UHFFFAOYSA-N 361.379 2.762 5 1 FFBF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cccc([N+](=O)[O-])c1 587638138 KYEJUBKQWMUZLH-UHFFFAOYSA-N 368.301 2.792 5 1 FFBF O=C1CC=C(c2nc3ccc([N+](=O)[O-])cc3[nH]2)NN1Cc1ccc(F)cc1 587164731 VROIOVBYJZXMKS-UHFFFAOYSA-N 367.340 2.888 5 1 FFBF CCN(C)C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82136073 OTFQLIUMPJZAPJ-UHFFFAOYSA-N 355.398 2.744 5 1 FFBF COC(=O)c1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2n1 587137196 SOWSFXLAPOFKBU-UHFFFAOYSA-N 373.344 2.737 5 1 FFBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])n(C)n2)N1 587750186 HDIZEGCOPLJKIB-WJWGPLDTSA-N 369.194 2.854 5 1 FFBF O=C(N=c1[nH]nc(SCc2cccc([N+](=O)[O-])c2)s1)c1ccncc1 1857577691 YWNKDVOGAIKESF-UHFFFAOYSA-N 373.419 2.808 5 1 FFBF Cc1csc([C@@](O)(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)C(F)(F)F)n1 587094305 PDKLMKKDRCDZTL-LBPRGKRZSA-N 373.316 2.624 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265692 XKHAJDDMQQCUAO-BWZBUEFSSA-N 357.197 2.925 5 1 FFBF O=C(c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 82148698 YAKYNDIDRLVTJK-UHFFFAOYSA-N 367.409 2.888 5 1 FFBF COc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1OC 587269492 ORRQZLPXNFJHKP-UHFFFAOYSA-N 357.322 2.880 5 1 FFBF CCOC(=O)c1nc(O)c2cc3cc(OCC)c(OCC)cc3nc2n1 26638264 QYHDANMYDFBSFD-UHFFFAOYSA-N 357.366 2.858 5 1 FFBF CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586925665 IMUMAUQREJAOAI-UHFFFAOYSA-N 373.390 2.690 5 1 FFBF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 101027928 TYCAMUVZQFDBSO-RRGXMBOYSA-N 352.268 2.925 5 1 FFBF COC(=O)c1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1OC 587267704 DIUKLNLPIGJSEK-UHFFFAOYSA-N 373.369 2.635 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](COc1ccc(OC(F)(F)F)cc1)C2 115603307 YMBWFCMEEHOGSZ-SECBINFHSA-N 359.260 2.778 5 1 FFBF Cc1csc([C@](O)(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)C(F)(F)F)n1 587094304 PDKLMKKDRCDZTL-GFCCVEGCSA-N 373.316 2.624 5 1 FFBF O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccncc1 598522 DYHGFTMEUMYPOC-UHFFFAOYSA-N 359.345 2.810 5 1 FFBF COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15CC2)[C@H]34 141087357 IKQZCLPAGWMVGZ-SRRBXEMYSA-N 352.434 2.719 5 1 FFBF COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@@H]1O[C@@H](O)C[C@H]41 257380589 ATDWDHGTLHHXNU-XMXZCVNMSA-N 356.330 2.504 5 1 FFBF endogenous,in-man COc1cc([N+](=O)[O-])c(F)cc1[C@@H]1c2ccsc2CCN1C(N)=O 962710482 LZDLOZUOTQFQAH-AWEZNQCLSA-N 351.359 2.830 5 1 FFBF CC1(C)Oc2cc3oc(=O)c4c5ccc(O)cc5oc4c3cc2[C@H](O)[C@@H]1O 13408696 QYJUEWQOEZPDIA-WMZOPIPTSA-N 368.341 2.963 5 1 FFBF biogenic O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3cccnc3)c1)C2 66252503 SOWFEILUEXCKNI-INIZCTEOSA-N 352.350 2.831 5 1 FFBF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(OC)c([N+](=O)[O-])c3)O2)cc1 45245135 FBUFLQKKJUYYGJ-SFHVURJKSA-N 371.349 2.851 5 1 FFBF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587039562 GIKYSKIRDJDTCX-JTQLQIEISA-N 351.388 2.849 5 1 FFBF COc1cc(C2=NN(C)[C@@H](c3ccc([N+](=O)[O-])o3)C2)cc(OC)c1OC 5809586 UYHSZQLQNVHIOV-GFCCVEGCSA-N 361.354 2.995 5 1 FFBF Cc1nc2ccc(NCC[N+](C)(C)[O-])c3c(=O)c4cc(F)ccc4n1c23 101446270 FIEUBJQBLNFJOV-UHFFFAOYSA-N 354.385 2.872 5 1 FFBF C[C@H](c1nc2c(F)cnc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 587275914 HJIXLNVRQFMFTL-RXMQYKEDSA-N 355.127 2.574 5 1 FFBF CSCC[C@@H](CN1CC=CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 13816968 OLNSWTBRBQOKQM-KRWDZBQOSA-N 363.483 2.589 5 1 FFBF O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(C[n+]3ccccc3)cc2)cc1 169315857 PSLHWNSJSDQRHM-UHFFFAOYSA-N 371.394 2.698 5 1 FFBF O=[N+]([O-])c1c(-c2nnco2)n[nH]c1Nc1ccc(Br)cc1 4149118 RCNGUPJSWWSJDY-UHFFFAOYSA-N 351.120 2.874 5 1 FFBF COc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cn1 587264082 ASHJACNHMSMPCY-QMMMGPOBSA-N 358.314 2.956 5 1 FFBF C[C@@]1(COc2ccc(-c3ccc(F)nc3)cn2)Cn2cc([N+](=O)[O-])nc2O1 653733794 WUSOCHZVSWYYFS-KRWDZBQOSA-N 371.328 2.618 5 1 FFBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc[nH]c1[N+](=O)[O-] 587580790 ZICLYFIHKWZAFB-LRDDRELGSA-N 353.290 2.726 5 1 FFBF O=C(O)c1cccc2c1CCN[C@@H]2c1coc2ccc([N+](=O)[O-])cc2c1=O 963136057 XMCUANHVNAQGEU-KRWDZBQOSA-N 366.329 2.635 5 1 FFBF O=C1C[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)CN1Cc1ccc(F)cc1F 587149166 MGRPYBNUSHWRAC-JTQLQIEISA-N 373.319 2.660 5 1 FFBF CN(C)CCCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 169349299 XVGSCMMLGFRPFR-UHFFFAOYSA-N 374.444 2.682 5 1 FFBF CC1(C)Oc2cc3oc(=O)c4c5ccc(O)cc5oc4c3cc2[C@@H](O)[C@H]1O 13408686 QYJUEWQOEZPDIA-SJLPKXTDSA-N 368.341 2.963 5 1 FFBF biogenic Cc1c(F)ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587270630 OPMGKQKXJMNVLB-AWEZNQCLSA-N 371.372 2.817 5 1 FFBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@@](C)(Cl)CO)O3 14689042 NJSSDVNYKRNTDP-KXBFYZLASA-N 359.809 2.691 5 1 FFBF endogenous,in-man CN(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 72181622 BBUAJZCGCWJTBK-NSHDSACASA-N 372.303 2.583 5 1 FFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587269428 NLZUVWQPQMYSOR-UHFFFAOYSA-N 360.257 2.910 5 1 FFBF COC(=O)c1cc2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2cc1OC 587267641 CFVVSSXFLIQVIK-UHFFFAOYSA-N 373.369 2.635 5 1 FFBF O=C(O)c1cccc2c1CCN[C@H]2c1coc2ccc([N+](=O)[O-])cc2c1=O 963136058 XMCUANHVNAQGEU-QGZVFWFLSA-N 366.329 2.635 5 1 FFBF Nc1nc2oc3ccc(C4CCC(=O)CC4)cc3c(=O)c2cc1C(=O)O 1857765495 HSXPCXUYKCHCJZ-UHFFFAOYSA-N 352.346 2.848 5 1 FFBF CCN(CC)CCNc1ccc2ncn3c4cc(O)ccc4c(=O)c1c23 100754211 IEJCLHFHWXREPL-UHFFFAOYSA-N 350.422 2.898 5 1 FFBF in-vivo Nc1nc(N)c([C@@H](C[N+](=O)[O-])c2ccc(F)cc2)c(NC2CCCCC2)n1 299832461 MAEMPSHLLNTDKK-AWEZNQCLSA-N 374.420 2.933 5 1 FFBF O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCSC1CCCCC1 169329688 IWFOTWVRWZSXHR-CQSZACIVSA-N 354.472 2.990 5 1 FFBF COc1cc(-c2ncnn2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 23549907 YPKMUZAUTGBMSU-UHFFFAOYSA-N 356.338 2.868 5 1 FFBF Cc1ccc([N+](=O)[O-])cc1-n1c(CSC(=N)N)nc2ccccc2c1=O 33828671 GSHVEDOSQSEGOD-UHFFFAOYSA-N 369.406 2.729 5 1 FFBF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1 40567097 BGMVPVGSTKMLMK-ZDUSSCGKSA-N 351.384 2.770 5 1 FFBF Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2ccccc2[N+](=O)[O-])n1C 14944722 BZJAXKWWFAWAFM-PEZBUJJGSA-N 369.468 2.890 5 1 FFBF COc1cc2cc3n(C)c(=O)c(=O)c4ccc(OC)c(oc2cc1OC)c4-3 15121685 MGLLESNRDOAWOP-UHFFFAOYSA-N 367.357 2.776 5 1 FFBF biogenic COC(=O)c1ccc([N+](=O)[O-])c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587432893 MGTQIWOOQBCIHH-FZKQIMNGSA-N 369.329 2.879 5 1 FFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(F)cnc(Br)c2[nH]1 587273376 HTJORQGZEHLORH-ZCFIWIBFSA-N 369.154 2.768 5 1 FFBF CC(C)(C)OC(=O)N1COCOC[C@@H]1COc1ccc([N+](=O)[O-])cc1 1857751806 LIGHVMFOQHWZHT-CYBMUJFWSA-N 354.359 2.541 5 1 FFBF O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(O)cc1 1857606120 FTHZDVPAMIBSRL-UHFFFAOYSA-N 355.394 2.695 5 1 FFBF O=C(NCCOc1ccncc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 1857647019 MOBNAGHVNFCEOT-UHFFFAOYSA-N 355.272 2.817 5 1 FFBF COc1cc2c3c(c1)O[C@](C)(Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H](C2)C3=O 587433094 NKEJABALUSAMPU-SCLBCKFNSA-N 357.366 2.623 5 1 FFBF COc1cc2c3c(cc4cc5c(cc4c3c1OC)OCO5)N(C)C(=O)C2=O 5996058 QNIWGACZMNBOMK-UHFFFAOYSA-N 365.341 2.898 5 1 FFBF biogenic CC(=O)OCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 1857593768 OHDNCDRPFWXLCQ-UHFFFAOYSA-N 372.293 2.552 5 1 FFBF CCS(=O)(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 29043813 PENCUOAPRACPFH-UHFFFAOYSA-N 359.454 2.640 5 1 FFBF CN[C@@H](c1cccnc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587221694 HHEVKBTZOKGEKY-LBPRGKRZSA-N 362.187 2.937 5 1 FFBF O=[N+]([O-])c1cc(Br)ccc1-c1ccc2c(O)nc(O)nc2n1 587365906 IGKABGFFBCGBCN-UHFFFAOYSA-N 363.127 2.774 5 1 FFBF C[C@@]12Cc3cc4c(cc3[C@]1(c1ccc([N+](=O)[O-])cc1)OCCO2)OCO4 1663115 CTDADBHYUADXAE-MOPGFXCFSA-N 355.346 2.929 5 1 FFBF CCCCNC[C@@H](O)COc1cc(O)c2c(=O)c3ccccc3oc2c1 96933355 AORKXODVJFADSZ-CYBMUJFWSA-N 357.406 2.781 5 1 FFBF Cc1[nH]c(C(=O)NC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1Cl 653700510 PXHNDIQICKHQEJ-UHFFFAOYSA-N 363.805 2.679 5 1 FFBF Cc1nn(Cc2ccccc2-c2nc3c(N)ccnc3[nH]2)c(C)c1[N+](=O)[O-] 587266833 BHCHBLUATGIGRB-UHFFFAOYSA-N 363.381 2.977 5 1 FFBF COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCN(C)C)c3c(=N)c2c1 31852790 IWYQEVULXPVJPD-UHFFFAOYSA-N 355.398 2.691 5 1 FFBF O=C1NC(N2CCNCC2)=N/C1=C\c1cc2ccccc2c2ccccc12 473088991 PWGHJBXSOXQSDZ-ZHZULCJRSA-N 356.429 2.725 5 1 FFBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c([N+](=O)[O-])c(C)nn1C 587871380 GHBPOVGBEOGCQZ-UHFFFAOYSA-N 373.344 2.727 5 1 FFBF O=[N+]([O-])c1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1[N+](=O)[O-] 587117523 CSHXBQZTHWFQIK-UHFFFAOYSA-N 370.247 2.837 5 1 FFBF CCOC(=O)Cc1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587272813 APKFHEUPIJHDFJ-NSHDSACASA-N 357.370 2.577 5 1 FFBF C[C@@H](c1cccnc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O 13553690 SLDAJZRANUSZFZ-VIFPVBQESA-N 368.780 2.601 5 1 FFBF CCCC[C@@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])C(C)=O 27185490 CPZDELNNGIKUAD-SNVBAGLBSA-N 353.379 2.700 5 1 FFBF Cc1ccc(NC(=O)CCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)cc1C 473112941 GRLBBOHIWJSEKT-UHFFFAOYSA-N 369.377 2.887 5 1 FFBF Cc1nn(C)cc1-c1[nH]c2cccc([N+](=O)[O-])c2c1CN1CCOCC1 587648010 XZGYLLVUEGPSLK-UHFFFAOYSA-N 355.398 2.617 5 1 FFBF COc1cc(OC)c2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 587266004 YXLNCZAXLYFKJE-UHFFFAOYSA-N 358.310 2.987 5 1 FFBF Cn1nnc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1C(F)F 587129689 ZKXLNPXIFKLGAO-UHFFFAOYSA-N 373.117 2.967 5 1 FFBF C[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)n1cc([N+](=O)[O-])cn1 587277451 WGDRQPSNNAZIFR-SCSAIBSYSA-N 361.671 2.691 5 1 FFBF COc1ccc(-c2csc(NCC(=O)NCC(C)C)n2)cc1[N+](=O)[O-] 82192079 BQRNVQXWIYSPPX-UHFFFAOYSA-N 364.427 2.911 5 1 FFBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(O)nc(S)nc3[nH]2)c1 587269886 SOYUKKJJSGHCPI-UHFFFAOYSA-N 358.383 2.523 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccnc(Br)c2[nH]1 587267044 DPYKDAOUSCEFJB-SSDOTTSWSA-N 351.164 2.743 5 1 FFBF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586961998 NIXOLVPAPRUSSK-RXMQYKEDSA-N 350.335 2.541 5 1 FFBF CN1CCN2C[C@@H](c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc3[C@@H]2C1 25964271 DUFIOWBGBIHQPW-OALUTQOASA-N 368.393 2.937 5 1 FFBF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CC(=O)c2c([N+](=O)[O-])cccc21 963612007 RRCXFWGYZXJBEL-YBTHPKLGSA-N 368.389 2.976 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccnc3)cc1)C2 66264156 FMVGVRFSKPMLGE-INIZCTEOSA-N 352.350 2.831 5 1 FFBF CN1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])cc21 40933401 JWDQEQKAGFWDRM-GFCCVEGCSA-N 372.303 2.725 5 1 FFBF O=C(O)CCN(CCc1nc2cccc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 587193208 FLJIYDQAUPCLEB-UHFFFAOYSA-N 368.393 2.991 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1cc4c(cc1[N+](=O)[O-])OCO4)[C@@H](C2)C3=O 587433128 OJIUYGJTYMAPQQ-BBATYDOGSA-N 355.302 2.821 5 1 FFBF CCN(C)C(=O)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1 82149898 QYXOCVQGIKWJID-UHFFFAOYSA-N 355.398 2.966 5 1 FFBF O=c1nc(O)c2c1c1ncnc1c1nc3cc(Br)ccc3c12 2356618645 BWDFSBLFEVXUHF-UHFFFAOYSA-N 353.135 2.583 5 1 FFBF CN(C)CCNc1nn2c(=O)c3cc(F)ccc3nc2c2ccccc12 1772647917 GXQAXIVDSSGMRM-UHFFFAOYSA-N 351.385 2.509 5 1 FFBF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 8653826 VVTJQHCRBOHFTD-GOEBONIOSA-N 360.366 2.779 5 1 FFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587273395 HZFOELLCGDZRRK-SNVBAGLBSA-N 355.333 2.796 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(=N)[nH]cc2[nH]1 587264356 QROBZHVFQVHAOW-SECBINFHSA-N 371.353 2.630 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265325 WKKGEVHJPXIDST-BWZBUEFSSA-N 357.197 2.925 5 1 FFBF COC(=O)c1ccnc2[nH]c(CCOc3cc(C)ccc3[N+](=O)[O-])nc12 587263310 RHNMTARUJVSFJX-UHFFFAOYSA-N 356.338 2.583 5 1 FFBF COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1O[C@H](O)C[C@@H]41 14715680 ATDWDHGTLHHXNU-PVYSZQQSSA-N 356.330 2.504 5 1 FFBF endogenous,in-man CCS(=O)(=O)c1cccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 586923084 YDBYELGYFXZMTC-UHFFFAOYSA-N 363.370 2.995 5 1 FFBF COc1cc2c3c(c1)O[C@](C)(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587432718 LEKRTABPMSAELK-LIRRHRJNSA-N 353.330 2.992 5 1 FFBF COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)=NNC(=S)C2 13555781 JLLVVEJCUQSOGX-UHFFFAOYSA-N 357.391 2.838 5 1 FFBF O=C(O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12 6738962 QMGRBDFNJOFWNE-UHFFFAOYSA-N 372.388 3.000 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(N3CCCCC3)cc1)C2 653789003 WOQMFMFVWFKISE-INIZCTEOSA-N 358.398 2.759 5 1 FFBF O=C(Cc1ccccc1)N[C@H]1CCO[C@@H](c2cccc([N+](=O)[O-])c2)OC1 28826718 YJLLGBMBLVHFMH-QFBILLFUSA-N 356.378 2.758 5 1 FFBF CCOC(=O)Cc1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 587268167 MPYGWZPMTHTXGK-UHFFFAOYSA-N 371.397 2.945 5 1 FFBF CCN(CC)CCn1cc2c3[nH]c4ccccc4c3cc(C(=O)OC)[n+]2c1 299844693 SEXZZUYSLUODHQ-UHFFFAOYSA-O 365.457 2.990 5 1 FFBF COc1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260933 LXXGDOAVSXTQHR-UHFFFAOYSA-N 361.285 2.993 5 1 FFBF O=c1nc2n(-c3cccc(C(F)(F)F)c3)c3ccccc3nc-2c(=O)[nH]1 13755536 XHAOLTQKNINZTF-UHFFFAOYSA-N 358.279 2.593 5 1 FFBF O=C(c1sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[n+]1[O-])N1CCCC1 2557781 RYVNGNMKKJXKQG-UHFFFAOYSA-N 361.301 2.698 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1cc(OC)cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O 587432220 INQJJTQWDXWVFV-BBATYDOGSA-N 357.318 2.806 5 1 FFBF COCCNc1ccc(-c2nc3cccc(C(=O)OC)c3[nH]2)cc1[N+](=O)[O-] 587264216 DNLLHDJHZDOHDW-UHFFFAOYSA-N 370.365 2.983 5 1 FFBF O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(Cc3ccsc3)c(=O)c12 28655970 AFEOUEVRAOUNCG-UHFFFAOYSA-N 359.794 2.707 5 1 FFBF O=[N+]([O-])c1ccc(CCN2CCN(c3ccc([N+](=O)[O-])s3)CC2)cc1 26674078 AKLDTFUXIRZGOA-UHFFFAOYSA-N 362.411 2.929 5 1 FFBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)O2 587391743 YEBBBESHUBXGLO-AWEZNQCLSA-N 359.294 2.806 5 1 FFBF CN[C@H](c1cccnc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587224215 QQPDZGREKAGJIM-LLVKDONJSA-N 362.187 2.937 5 1 FFBF Cc1cc(F)c2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 587270536 MKZFJVRRFIDWFR-AWEZNQCLSA-N 371.372 2.817 5 1 FFBF CN(C)CCCNc1ccc2ncn3c4cc5c(cc4c(=O)c1c23)OCO5 101155081 FKJULLZNFZXEKF-UHFFFAOYSA-N 364.405 2.531 5 1 FFBF O=C(c1ccc([N+](=O)[O-])cc1)N1CC(=O)N2CCCc3ccccc3[C@@H]2C1 26174582 WZSCNLAVOAIOAV-SFHVURJKSA-N 365.389 2.567 5 1 FFBF C[C@]1(CNc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1 653729235 MPBQPKHJUUBLBZ-ZDUSSCGKSA-N 358.276 2.953 5 1 FFBF Nc1ncc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1[N+](=O)[O-] 587268302 PZLKHHOIHQMGOY-UHFFFAOYSA-N 359.655 2.529 5 1 FFBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])n(C)n2)N1 587750181 HDIZEGCOPLJKIB-JKYUHCHBSA-N 369.194 2.854 5 1 FFBF N[C@H](Cc1cc(-c2cccc(C(=O)O)c2)c(Cl)c([N+](=O)[O-])c1)C(=O)O 1772573283 SRLDOAOYJVEXQX-GFCCVEGCSA-N 364.741 2.568 5 1 FFBF COc1cc(O)c2c(=O)c3c(OC)c(OC)c(OC)c(OC)c3oc2c1 14438332 SVEPSJMWTARFFE-UHFFFAOYSA-N 362.334 2.695 5 1 FFBF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])nn2C)N1 587749777 FUHOJODWTLYTHT-NXSYQRQQSA-N 369.194 2.854 5 1 FFBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 5680000 KBXRIUWRLMQFJO-UHFFFAOYSA-N 357.731 2.957 5 1 FFBF O=c1c2ccccc2n(CCO)c2nc3c(cc12)ncn3-c1ccccc1 474605861 GNDYLNQTQJBRHT-UHFFFAOYSA-N 356.385 2.881 5 1 FFBF O=[N+]([O-])c1cc(CSc2nnnn2Cc2ccccc2)cc([N+](=O)[O-])c1 169331303 UAEFNNIWAIIGNC-UHFFFAOYSA-N 372.366 2.830 5 1 FFBF CC1=Nc2ncnn2[C@H](c2ccc(O)c([N+](=O)[O-])c2)/C1=C(\O)OC(C)C 103936920 XEMBFGBYEXDRJJ-SXWSKBOKSA-N 359.342 2.782 5 1 FFBF O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(F)cc1)[C@@H]([N+](=O)[O-])[C@@H]1CCCN12 169322057 GMYLZTVKXGTHHR-HLNWXESRSA-N 367.380 2.880 5 1 FFBF Cc1ncc([N+](=O)[O-])n1CCn1cc(COc2ccccc2Cl)nn1 40917295 NUIMVBPTPXCXED-UHFFFAOYSA-N 362.777 2.624 5 1 FFBF CC1(C)Oc2cc3oc(=O)c4c5ccc(O)cc5oc4c3cc2[C@@H](O)[C@@H]1O 13408690 QYJUEWQOEZPDIA-AEFFLSMTSA-N 368.341 2.963 5 1 FFBF biogenic O=c1c2ccccc2n(C[C@H](O)CN2CCOCC2)c2c(Cl)cccc12 49807557 SMMYRTZCNYYRQL-CQSZACIVSA-N 372.852 2.501 5 1 FFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)O2 587388854 GXQCUELAFMAOQA-OAHLLOKOSA-N 356.334 2.963 5 1 FFBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2nc(Br)c[nH]c-2n1 587158224 AQIHEHUVNLXBRV-UHFFFAOYSA-N 368.122 2.693 5 1 FFBF COC(=O)c1cc(Cl)c2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2c1 587274141 TYHYXKXHLAHXQS-UHFFFAOYSA-N 363.761 2.740 5 1 FFBF O=[N+]([O-])c1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Cl 586966301 DWWGHTMJTGSKGD-UHFFFAOYSA-N 353.747 2.618 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(Br)nc2[nH]1 587267766 QKJKXMWWAHVABX-SSDOTTSWSA-N 351.164 2.743 5 1 FFBF C[C@]1(Cn2cnc([N+](=O)[O-])n2)c2ccsc2CCN1Cc1ccco1 962711728 UTTJOGUPXWQTPL-INIZCTEOSA-N 359.411 2.815 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cncc(F)c3)cc1)C2 66252304 JFKSKGAFUNIMBG-INIZCTEOSA-N 370.340 2.970 5 1 FFBF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587230833 NAKDMMZOQBQEIZ-STQMWFEESA-N 360.414 2.816 5 1 FFBF CCCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 6380630 SZWOCPAHDUVODE-UHFFFAOYSA-N 372.786 2.854 5 1 FFBF O=[N+]([O-])c1c(Br)ccc2nc(C[S@](=O)CC3CC3)[nH]c12 586959308 MUFOJZCVVYTNIO-HXUWFJFHSA-N 358.217 2.892 5 1 FFBF Cc1cc2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc2cc1[N+](=O)[O-] 587225037 MGLDJZKCDTYERF-LBPRGKRZSA-N 354.366 2.863 5 1 FFBF O=[N+]([O-])c1cncc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587161465 OICARZOQJOROQX-UHFFFAOYSA-N 373.735 2.965 5 1 FFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Br)c(O)c2[nH]1 587276510 LLHSULCIQNHBPZ-SSDOTTSWSA-N 366.175 2.939 5 1 FFBF COC(=O)C[C@H](C)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587783289 MKLGERNDXPLRMD-SSDOTTSWSA-N 356.176 2.975 5 1 FFBF Cn1nc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1[N+](=O)[O-] 962708985 LJGFWEZUFJZFEQ-APPDUMDISA-N 362.430 2.920 5 1 FFBF CC(C)NC(=O)N[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21 73140467 YWOPUJOSRGQHHG-GJZGRUSLSA-N 350.419 2.546 5 1 FFBF COc1ccccc1CN1CC[C@@H](Nc2ccc(CO)c([N+](=O)[O-])c2)C1 1857655064 NUOUMEVKTBUWSP-QGZVFWFLSA-N 357.410 2.782 5 1 FFBF CC[N@@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 253685494 FLQDEIOQMBKPDI-HEEGFZKGSA-N 363.481 2.627 5 1 FFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Br)c(F)cc2[nH]1 587275010 ZJBBGGFHOXZGTO-UHFFFAOYSA-N 354.139 2.926 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261502 CBEDDXKGUOFTEI-IJLUTSLNSA-N 371.372 2.548 5 1 FFBF CN1CCc2c(Br)cccc2[C@]1(C)c1nn(C)cc1[N+](=O)[O-] 963282872 ZJCHBAHVJIZRMZ-OAHLLOKOSA-N 365.231 2.842 5 1 FFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc3cn[nH]c3cc2[nH]1 587119136 YRNYUXMGUKIUCZ-UHFFFAOYSA-N 365.275 2.919 5 1 FFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 587262979 JXDOKMZYKPPJQC-UHFFFAOYSA-N 368.349 2.732 5 1 FFBF CCOC(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 587266108 ZVQIKQDZXXSEKX-LBPRGKRZSA-N 370.365 2.596 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(F)cc3)nn1)CC2 1772618430 DJYACKOKJDWRNH-CYBMUJFWSA-N 371.328 2.618 5 1 FFBF C/C=C1/C[N+]2([O-])[C@H]3C[C@@H]1[C@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 141438262 ATIZKZWYIGEWST-KUJZOGMMSA-N 368.433 2.580 5 1 FFBF Nc1ncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1[N+](=O)[O-] 587267967 KNNNGOWTNHNPJX-UHFFFAOYSA-N 369.566 2.926 5 1 FFBF CSCC1CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C1 103275191 ADWBLONYKAJUAV-UHFFFAOYSA-N 355.799 2.958 5 1 FFBF CCc1nc2ccccc2c(=O)n1NC(=O)Nc1ccc([N+](=O)[O-])cc1 45245751 GHFUXFZRQABARX-UHFFFAOYSA-N 353.338 2.643 5 1 FFBF COc1cc(-c2nc3c(S)nc(S)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260731 BKOMFZPZNVNCJO-UHFFFAOYSA-N 365.396 2.523 5 1 FFBF O=[N+]([O-])c1cc(CSc2nnn(Cc3ccccc3)n2)cc([N+](=O)[O-])c1 473137649 YTXTWWPYJXNIEM-UHFFFAOYSA-N 372.366 2.830 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(F)cc3)nc1)C2 653718482 HMMNOLVEKCARJY-AWEZNQCLSA-N 356.313 2.832 5 1 FFBF CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587256936 WFFDUWFSUISNTP-SECBINFHSA-N 354.794 2.726 5 1 FFBF NC(=O)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl 6567812 AECDRCQPKBHMIY-ZDUSSCGKSA-N 368.176 2.858 5 1 FFBF Nc1nc2oc3ccc(C4=CC[C@H](O)CC4)cc3c(=O)c2cc1C(=O)O 1857769833 XGVLVOVCMCFPGA-NSHDSACASA-N 352.346 2.550 5 1 FFBF C[C@]1(CCn2cnc([N+](=O)[O-])n2)CC(=O)c2ccc3c(c2O1)CCCC3 587514465 YTKRFEWCCQJEOL-SFHVURJKSA-N 356.382 2.879 5 1 FFBF C/C=C1\C[N+](C)([O-])[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 238753470 UIBRWIGMJWWIGU-HCKKBQJNSA-N 370.449 2.530 5 1 FFBF COc1ccc(-c2nnc(SCCn3c([N+](=O)[O-])cnc3C)o2)cc1 95603621 KZFBELWAUVKLAC-UHFFFAOYSA-N 361.383 2.951 5 1 FFBF COc1c(Cl)ccc2c(=O)c3cc4c(c(O)c3oc12)[C@@]1(O)C=CO[C@@H]1O4 2356558271 RQEWHUMVUNMQIN-MSOLQXFVSA-N 374.732 2.764 5 1 FFBF O=C(O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)n1 621476335 ALGGJEUTKGIRJJ-UHFFFAOYSA-N 363.285 2.642 5 1 FFBF O=[N+]([O-])c1cc(Cn2nnnc2SCc2ccccc2)cc([N+](=O)[O-])c1 473134016 AUVQFXFDUAJWJD-UHFFFAOYSA-N 372.366 2.830 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] 587259090 AHANYDRPVPCFJA-BBBLOLIVSA-N 366.215 2.986 5 1 FFBF CCN(C)C(=O)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82150243 HFDLCXLVDIXJSZ-UHFFFAOYSA-N 355.398 2.744 5 1 FFBF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 8653827 VVTJQHCRBOHFTD-GDBMZVCRSA-N 360.366 2.779 5 1 FFBF CCOC(=O)C1=C(C)NC(CC)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 84726749 IFROGNZUKGVKFP-MRXNPFEDSA-N 374.393 2.956 5 1 FFBF CN1CCN(CCn2c3cc(=O)c4ccccc4c-3nc3ccccc32)CC1 299864663 RSYXTYILJBLNPB-UHFFFAOYSA-N 372.472 2.902 5 1 FFBF COc1cc2c(c(OC)c1OC)c(=O)c1ccccc1n2COC(C)=O 14774893 YMFPNVLLKUBOIG-UHFFFAOYSA-N 357.362 2.701 5 1 FFBF biogenic,in-vitro CCN(CC)CCNc1ccc2ncn3c4c(O)ccc(O)c4c(=O)c1c23 101156416 WRPGJCGAXNXRAQ-UHFFFAOYSA-N 366.421 2.604 5 1 FFBF Nc1c2c(nc3c1[C@H](c1cccc([N+](=O)[O-])c1)NC(=S)N3)CCCC2 1857634590 AJVJINJDKFGAQT-HNNXBMFYSA-N 355.423 2.840 5 1 FFBF N[C@H](Cc1cscn1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587027334 BEEABLVJACFWHT-MRVPVSSYSA-N 368.216 2.933 5 1 FFBF C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])cc2O1 653743806 YJGZUNOEFKSPJH-ZDUSSCGKSA-N 359.260 2.920 5 1 FFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587273683 KFIURJXLBOJNMO-ZETCQYMHSA-N 351.269 2.793 5 1 FFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 587118430 PYADDKSAFCTNLF-UHFFFAOYSA-N 370.247 2.951 5 1 FFBF Cc1c(C(C)C)s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C 14944850 BUKUBFLNNJJJAO-PFONDFGASA-N 355.441 2.716 5 1 FFBF Cn1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(Cl)cc32)c([N+](=O)[O-])c1 27093487 JCUMYJSOFFTEFS-UHFFFAOYSA-N 365.704 2.728 5 1 FFBF CC1=C(C(=O)O[C@@H]2C=CCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 36185142 OXDXBKRZMVVTHP-ZBFHGGJFSA-N 357.366 2.875 5 1 FFBF Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccnc(Cl)c2)o1 95602138 PTVAZGDCNURMKF-UHFFFAOYSA-N 366.790 2.990 5 1 FFBF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 653834947 DXNJXCNMHJJSKV-CQSZACIVSA-N 353.378 2.582 5 1 FFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(N)=O)c2[nH]1 587265581 QFRCNGKGQCDPAZ-QMMMGPOBSA-N 370.325 2.651 5 1 FFBF Cc1cn2cc([N+](=O)[O-])nc2c(=O)n1Cc1ccc(OC(F)(F)F)cc1 1857565555 GKEONZHOVLVFMF-UHFFFAOYSA-N 368.271 2.660 5 1 FFBF NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3ccc([N+](=O)[O-])cc3)cn12 95593520 NITJKYIQJJQPOZ-UHFFFAOYSA-N 374.403 2.772 5 1 FFBF C[C@H](c1nc2ccc(Br)c(O)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276122 JJPGWQUSVWKIPH-ZCFIWIBFSA-N 352.148 2.745 5 1 FFBF CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1cccc([N+](=O)[O-])c1 40848376 PSVLDWGVYQISKL-UHFFFAOYSA-N 374.374 2.963 5 1 FFBF CC[C@H]1[C@H]2[C@]34CC[N+]2([O-])CC[C@H]1C(C(=O)OC)=C3Nc1c(OC)cccc14 36378816 JTSRXZFJQAYPGA-OHFHXHEBSA-N 370.449 2.932 5 1 FFBF COc1cc(-c2ncnn2-c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 49784257 ZGJNSVYQUYRMDD-UHFFFAOYSA-N 356.338 2.868 5 1 FFBF CCSCCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719572 FKYUNWPYDFVMHU-UONOGXRCSA-N 365.411 2.733 5 1 FFBF O=[N+]([O-])c1ccc(-c2nnc3n2N[C@@H](c2ccc([N+](=O)[O-])s2)S3)o1 72178186 IPKFXTHAWSDUKJ-SNVBAGLBSA-N 366.340 2.764 5 1 FFBF Cc1ccnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 587267002 RJENFPYBMOXZBE-YMTOWFKASA-N 372.341 2.617 5 1 FFBF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CC(=O)c2c([N+](=O)[O-])cccc21 963612006 RRCXFWGYZXJBEL-PRWKNARSSA-N 368.389 2.976 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1cc(C=O)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587433110 NUWYTIDKCNJAQT-KPZWWZAWSA-N 355.302 2.610 5 1 FFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(F)c(F)cc3[nH]2)cc1 586920469 RPYUZUAHFFIAKJ-UHFFFAOYSA-N 353.306 2.723 5 1 FFBF O=[N+]([O-])c1cnc2[nH]c(-c3cncc(I)c3)nc2c1 587184220 FUFUVYXIXKSLKH-UHFFFAOYSA-N 367.106 2.533 5 1 FFBF O=C(O)Cn1c(=O)c(/C=C/c2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc21 169342614 OJJFJMHCGORXIX-XVNBXDOJSA-N 369.308 2.699 5 1 FFBF C[N+](C)(C)CCCCC/C=C(\NC(=O)[C@H]1CC1(Cl)Cl)C(=O)O 26020546 DHCWNKSMKLLZGJ-HQQGHWSLSA-O 352.282 2.532 5 1 FFBF N[C@@H](CCc1nc2cccc(F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270607 OIMMAKNEDNUIDT-ZDUSSCGKSA-N 357.345 2.509 5 1 FFBF CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccccc4cc3c3nnc2n13 40864116 TYKIVGKBKACZRG-FQEVSTJZSA-N 358.357 2.676 5 1 FFBF CC(=O)N[C@@H](CSc1c([N+](=O)[O-])ccc(Cl)c1Cl)C(=O)O 238757392 UJUNXCWAQHAUJV-ZETCQYMHSA-N 353.183 2.583 5 1 FFBF COCCNc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1[N+](=O)[O-] 587262071 NJQJLSLVSVGZBA-UHFFFAOYSA-N 356.338 2.895 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1cnc(-c3ccc(F)cc3)nc1)CC2 1772630679 KUIFDHZSLHEZLJ-CYBMUJFWSA-N 371.328 2.618 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc[nH]c(=N)c2[nH]1 587261272 AHLMLWIOUKLTEY-SECBINFHSA-N 371.353 2.630 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(F)cc3)ccn1)C2 72124560 FUCAOKUYHHMKJG-AWEZNQCLSA-N 356.313 2.832 5 1 FFBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1OCC(=O)O)O2 587390561 RNTTYUDWTDZFLY-MRXNPFEDSA-N 372.333 2.655 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(OCCN(C)C)cc2[nH]1 587266927 CNQARMBTBKJJKV-LBPRGKRZSA-N 358.402 2.526 5 1 FFBF O=C(CNc1cccc([N+](=O)[O-])c1)n1ncc2ccc(Cl)cc2c1=O 587653099 PXEZFJRWQLECML-UHFFFAOYSA-N 358.741 2.710 5 1 FFBF CC(C)C[C@@H](CCOCCO)NC(=O)OCc1ccccc1[N+](=O)[O-] 205700484 QOPSRUHDPYJUNY-OAHLLOKOSA-N 354.403 2.635 5 3 FFBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)CN1CCC(c2ccccc2)CC1 72179343 IDDKHYQABODZOO-UHFFFAOYSA-N 372.425 2.523 5 1 FFBF CCCCCc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N[C@H]1CCOC1=O 587646952 NPTXXLCEUFIXKU-AWEZNQCLSA-N 359.382 2.854 5 1 FFBF COCCNc1ccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)cc1[N+](=O)[O-] 587262065 NIQUNZNRMLYCLT-UHFFFAOYSA-N 370.365 2.983 5 1 FFBF COc1ccc2c(c1[N+](=O)[O-])[C@]1(CC2)N[C@H](C(=O)O)Cc2cccc(F)c21 962905511 QGEKVJSDAWLVNJ-ORAYPTAESA-N 372.352 2.531 5 1 FFBF O=C(O)CCC(=O)N1NC(c2ccccc2)=C[C@@H]1c1cccc([N+](=O)[O-])c1 957892212 VYGGVBBVZGUJAI-QGZVFWFLSA-N 367.361 2.889 5 1 FFBF CC(=O)CC(=O)c1c(O)c2c(=O)oc3ccc4ccccc4c3c2oc1=O 1857554426 LAFOLLTVZFAXME-UHFFFAOYSA-N 364.309 2.920 5 1 FFBF O=C(Nc1nc2ccccc2n1[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 36184953 PWBAVKAKXWGVEW-HNNXBMFYSA-N 366.333 2.685 5 1 FFBF CCOC(=O)C1=C(CC)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 49112557 HZPOERGFFRQYFC-INIZCTEOSA-N 374.393 2.956 5 1 FFBF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 653833463 ZOZPOSRZPGOJNI-CQSZACIVSA-N 368.393 2.973 5 1 FFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(Br)ccnc2[nH]1 587267261 HVZWGWNGWNKKNG-UHFFFAOYSA-N 365.191 2.997 5 1 FFBF Cc1nn(C)c(C)c1Nc1ccc(N2C(=O)C[C@H](C)C2=O)cc1[N+](=O)[O-] 102603544 RMFZAESFYNTGSU-VIFPVBQESA-N 357.370 2.588 5 1 FFBF Cc1cc(C)c2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 587270032 HYEHTKIVQUHPGK-HNNXBMFYSA-N 367.409 2.987 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587261547 CESBAQJXHBYZMA-IWSPIJDZSA-N 366.761 2.785 5 1 FFBF CC(=O)N1CCS[C@H]1c1cc([N+](=O)[O-])ccc1OCCCN(C)C 28008381 WIOLLYLHSLTHDK-INIZCTEOSA-N 353.444 2.519 5 1 FFBF O=C(Cc1ccccc1)N[C@H]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)OC1 28826714 BSYBTQFURWTJQZ-LPHOPBHVSA-N 356.378 2.758 5 1 FFBF COc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccc(Cl)cc32)cc1 96282708 CKQFRQUGJSKBAD-UHFFFAOYSA-N 353.765 2.841 5 1 FFBF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1cccc([N+](=O)[O-])c1 29464878 XFGFZYQHYXFFQT-UHFFFAOYSA-N 366.303 2.868 5 1 FFBF CC[C@]12CCC[N+]3([O-])CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]23 33755492 YMNSBLFXXIFOLR-IMWDKWLZSA-N 370.449 2.965 5 1 FFBF COCCOc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1[N+](=O)[O-] 587265329 OTQLCZTYSZEHKI-UHFFFAOYSA-N 371.349 2.935 5 1 FFBF COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@@]15[C@H]2C)[C@H]34 100267390 JOAAIYRFWUHKSF-DSPPQJBJSA-N 352.434 2.574 5 1 FFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cnc(C(F)(F)F)[nH]c-2n1 587269898 SVEHTBXXHFAVIR-UHFFFAOYSA-N 367.243 2.623 5 1 FFBF CC(C)(O)[C@@H]1Oc2cc3oc4c5ccc(O)cc5oc(=O)c4c3cc2[C@@H]1O 2356337651 ZJBOZZWXWWQLRJ-FUHWJXTLSA-N 368.341 2.963 5 1 FFBF CN(C)CCn1cc2c([N+](=O)[O-])ccc3c2c1-c1ccccc1S3(=O)=O 71335198 OHCGIXPURHLVKI-UHFFFAOYSA-N 371.418 2.924 5 1 FFBF CC[C@@H](C)[C@@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)O 5543693 IVACLNSXZIMXDY-BDJLRTHQSA-N 352.390 2.910 5 1 FFBF Cn1c2ccccc2c(=O)c2cc(NCCCN3CCOCC3)ccc21 61969075 RBUXGTXTMVFPFT-UHFFFAOYSA-N 351.450 2.826 5 3 FFBF O=[N+]([O-])c1ccc(CSc2nnn(Cc3ccccc3)n2)c([N+](=O)[O-])c1 473134867 DCCSPCQJCACOKK-UHFFFAOYSA-N 372.366 2.830 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265280 VLVCBJMPZRXDHC-SZEHBUNVSA-N 356.304 2.637 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@@H]1C[N+](=O)[O-] 587266206 ZCOGKFFQIHOIHS-IWSPIJDZSA-N 367.308 2.545 5 1 FFBF C[N+]1(C)CCc2cc3c(cc2[C@H]1Cc1ccc2c(c1CO)OCO2)OCO3 2356684748 WBKXSHQINXSALN-QGZVFWFLSA-N 370.425 2.553 5 1 FFBF Cc1ncc([N+](=O)[O-])n1Cc1nnc(-c2ccc(Br)cc2)o1 84759379 AFVPDPMVFSQBRI-UHFFFAOYSA-N 364.159 2.961 5 1 FFBF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc([N+](=O)[O-])c2[nH]1 587194671 XMJALXLZMYVOCE-LBPRGKRZSA-N 363.418 2.989 5 1 FFBF Cc1nc2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2cc1Br 587275380 CXYZMGSDWMZJSL-ZETCQYMHSA-N 365.191 2.937 5 1 FFBF Cc1cncc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12 586928210 ZDLNDKQCKRKGCQ-UHFFFAOYSA-N 366.786 2.898 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587261506 CBEDDXKGUOFTEI-WOPDTQHZSA-N 371.372 2.548 5 1 FFBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2O)cc1[N+](=O)[O-] 169307680 ZYLGEESMEFXQJE-UHFFFAOYSA-N 363.322 2.566 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587259097 AHANYDRPVPCFJA-KXUCPTDWSA-N 366.215 2.986 5 1 FFBF CCCOCCCNC(=S)Nc1cc(OC)c([N+](=O)[O-])cc1OC 66080004 ZRHYYPVYHCFQHI-UHFFFAOYSA-N 357.432 2.715 5 1 FFBF COc1cc2c3c(c1)O[C@H](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C2)C3=O 587434796 ZTYUKMZUMRDGNC-GDBMZVCRSA-N 355.346 2.971 5 1 FFBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CC(=O)c2c([N+](=O)[O-])cccc21 963612001 RRCXFWGYZXJBEL-BIBXISHDSA-N 368.389 2.976 5 1 FFBF N=c1nc(O)c2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2[nH]1 587272626 WVBOLXCYVNEFHS-UHFFFAOYSA-N 364.321 2.839 5 1 FFBF Cc1nn(Cc2ccccc2-c2nc3cc(=N)[nH]cc3[nH]2)c(C)c1[N+](=O)[O-] 587267791 QZVMMWVJSDWEKH-UHFFFAOYSA-N 363.381 2.807 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1[N+](=O)[O-])OCCO4)[C@@H](C2)C3=O 587431899 IDCPPQUZZMYBNA-BUXKBTBVSA-N 369.329 2.863 5 1 FFBF Cn1nc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575541 FJDIOPBLYITGBH-MAUKXSAKSA-N 367.317 2.737 5 1 FFBF O=C1C[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)CN1Cc1ccc(F)cc1F 587148342 IBBKLCUWAFHTSL-SNVBAGLBSA-N 373.319 2.660 5 1 FFBF O=c1nc(O)c2nc3ccccc3n(CCc3ccc(Cl)cc3)c-2n1 261193002 ZWDZEIULTIVGQM-UHFFFAOYSA-N 352.781 2.893 5 1 FFBF O=C1NC(N2CCNCC2)=N/C1=C\c1c2ccccc2cc2ccccc12 473090522 WCAMCMUPCPDQNG-ZHZULCJRSA-N 356.429 2.725 5 1 FFBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)Nc1ccncc1Br 96929152 MVOLDJVWBQZJJH-UHFFFAOYSA-N 370.163 2.506 5 1 FFBF Cc1cc(N(C)Cc2nc3c(Cl)ncnc3[nH]2)c([N+](=O)[O-])cc1F 587136196 CLCLWCRRKMUSNV-UHFFFAOYSA-N 350.741 2.998 5 1 FFBF CC(C)Nc1ccc([C@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 15937471 OLPQNUNDLBQIAB-INIZCTEOSA-N 370.409 2.762 5 3 FFBF COc1c(Cl)ccc2c(=O)c3cc4c(c(O)c3oc12)[C@]1(O)C=CO[C@H]1O4 2356558273 RQEWHUMVUNMQIN-ZWKOTPCHSA-N 374.732 2.764 5 1 FFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(F)c(F)c3[nH]2)cc1 586920713 WDDQKQZJVMIHCI-UHFFFAOYSA-N 353.306 2.723 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccncc1)C2 66263626 BSPHLYUVTJTBAW-HNNXBMFYSA-N 352.350 2.831 5 1 FFBF CS(=O)(=O)c1cc(-c2nc3cccc(O)c3[nH]2)cc([N+](=O)[O-])c1Cl 586927002 RTDPIDAJKKZYKG-UHFFFAOYSA-N 367.770 2.901 5 1 FFBF C[C@H](c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O 13553695 AXLDVANRUJQULH-SECBINFHSA-N 368.780 2.601 5 1 FFBF N=C(NCc1ccccc1)[C@@H]1CCC(=O)N1Cc1ccc([N+](=O)[O-])cc1 1857617173 PTAZNCMJQKEHEM-KRWDZBQOSA-N 352.394 2.853 5 1 FFBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1ccc2c(O)nc(O)nc2n1 587368244 LMEPGGLZVKDUIU-UHFFFAOYSA-N 366.255 2.954 5 1 FFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(O)cc2[nH]1 587267147 UUFUIIJALQUYJK-VXJOIVPMSA-N 373.325 2.619 5 1 FFBF C[N+](C)([O-])c1ccnc2sc3c(=O)n(N4CCCCCC4)cnc3c12 13676185 AKXCOQICNDOOTF-UHFFFAOYSA-N 359.455 2.583 5 1 FFBF COc1cc(O)c2c(=O)c3c(oc2c1)c(=O)oc1cc(OC)c(OC)cc13 14715281 WLTWCXGDUGNOON-UHFFFAOYSA-N 370.313 2.784 5 1 FFBF biogenic CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Br)nc2[nH]1 587267254 HRULMVAWLYECAH-UHFFFAOYSA-N 365.191 2.997 5 1 FFBF O=[N+]([O-])c1cccc(Cn2cc(COc3cccc([N+](=O)[O-])c3)nn2)c1 653786022 UCDQDMOPHQCDDE-UHFFFAOYSA-N 355.310 2.722 5 1 FFBF c1cc2cc(c1)Nc1ncnc(n1)Nc1cccc(c1)Nc1ncnc(n1)N2 64633416 IZWDTMBBHLIZHQ-UHFFFAOYSA-N 370.380 3.344 5 1 FFBF in-vitro O=[N+]([O-])c1cccnc1NCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587268624 HHJXFHHZONFUSS-UHFFFAOYSA-N 353.317 2.803 5 1 FFBF O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C1CCN(Cc2ccccc2)CC1 13730948 OVEXTZVSBSJTQV-UHFFFAOYSA-N 365.389 2.855 5 1 FFBF C[N+]1(C)CCc2cc3c(cc2[C@@H]1Cc1ccc2c(c1CO)OCO2)OCO3 238737077 WBKXSHQINXSALN-KRWDZBQOSA-N 370.425 2.553 5 1 FFBF O=[N+]([O-])c1cnc2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 587005856 WNNWXDGJXNOOEP-UHFFFAOYSA-N 355.539 2.739 5 1 FFBF COc1cc(OCc2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1[N+](=O)[O-] 587263612 WTVSHWRYIIRCQV-UHFFFAOYSA-N 369.259 2.819 5 1 FFBF O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCCCC1 28227194 KAUYAQNLELLGGR-UHFFFAOYSA-N 353.378 2.830 5 1 FFBF CCN(C)c1ncc(C(=O)NCC2CC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135460 IUYCBJHOUPIACK-UHFFFAOYSA-N 355.398 2.648 5 1 FFBF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587232563 ZOSKMNJWVUPMSG-QWRGUYRKSA-N 364.377 2.647 5 1 FFBF CC[C@H](C)[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)O 5543691 IVACLNSXZIMXDY-ZBEGNZNMSA-N 352.390 2.910 5 1 FFBF COc1ccc2c(-c3ccnc(Nc4ccc([N+](=O)[O-])cc4)n3)cnn2n1 13582625 RBHCYWNSENRQLN-UHFFFAOYSA-N 363.337 2.847 5 1 FFBF O=[N+]([O-])c1cncc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007405 KIJSGTQDSHOTMR-UHFFFAOYSA-N 359.143 2.943 5 1 FFBF N[C@H](N=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587091259 CPYBGYIESPDKNC-LLVKDONJSA-N 369.263 2.621 5 1 FFBF N[C@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(Br)cc1 586997715 RHUCNPYXSKOYPI-LLVKDONJSA-N 362.187 2.871 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Br)cnc2[nH]1 587267781 QRLQWLMMZABRGC-ZETCQYMHSA-N 351.164 2.743 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1O)[C@@H](C2)C3=O 587432376 JSCVUUSVJIPCFF-BBATYDOGSA-N 357.318 2.806 5 1 FFBF O=C(COc1ccccc1[N+](=O)[O-])n1ncc2ccc(Cl)cc2c1=O 587652361 CQYWMAUABDDCHM-UHFFFAOYSA-N 359.725 2.677 5 1 FFBF COc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1OC 587270569 VWTITWUANQYIHT-UHFFFAOYSA-N 366.337 2.736 5 1 FFBF COC(=O)c1ccnc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc12 587269380 MHQQDLKNYQQIHM-UHFFFAOYSA-N 367.365 2.920 5 1 FFBF Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1cccc([N+](=O)[O-])c1 103190077 XNIBFPUVFRGWGS-UHFFFAOYSA-N 359.260 2.952 5 1 FFBF COc1cccc2c(=O)c3c(Cl)ccc(C(=O)NCCN(C)C)c3[nH]c12 1772616774 KOGRGYMMUMYGMG-UHFFFAOYSA-N 373.840 2.635 5 1 FFBF COc1cncc(N)c1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 587252900 RXZUJGVMVAMJKM-UHFFFAOYSA-N 364.159 2.886 5 1 FFBF O=[N+]([O-])c1cn2c(n1)NC[C@H](OCc1ccc(OC(F)(F)F)cc1)C2 40899739 VHAGVXVHVKFGKS-NSHDSACASA-N 358.276 2.701 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(F)cnc(Br)c2[nH]1 587266950 CPMHQMUYRIBXFG-LURJTMIESA-N 369.154 2.882 5 1 FFBF COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Cl 587263912 PANGWNSPEBFAMR-KXUCPTDWSA-N 351.790 2.885 5 1 FFBF N=c1[nH]c2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc-2c(Cl)[nH]1 587110308 YYRQISCCPDHSDM-UHFFFAOYSA-N 372.694 2.888 5 1 FFBF C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cnc([N+](=O)[O-])c3)[C@@H]2CC1 169308977 GJFUBQKUXJPFGM-BHXDRHLBSA-N 361.398 2.627 5 1 FFBF CC(C)C[C@H](CCOCCO)NC(=O)OCc1ccccc1[N+](=O)[O-] 205700501 QOPSRUHDPYJUNY-HNNXBMFYSA-N 354.403 2.635 5 3 FFBF O=[N+]([O-])c1ccc(CSc2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1 59365085 YUPBAVOVIMVUII-UHFFFAOYSA-N 358.339 2.771 5 1 FFBF Cn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576175 NDWCMTARUUSPSF-MAUKXSAKSA-N 367.317 2.737 5 1 FFBF O=C(O)c1cc(F)cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587093106 VEIQWAJUQBLWNT-UHFFFAOYSA-N 373.222 2.734 5 1 FFBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(O)nc(S)nc2[nH]1 587110019 QGBGRGWAYDIZCZ-UHFFFAOYSA-N 371.300 2.865 5 1 FFBF CC[C@@H](C)[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)O 5543689 IVACLNSXZIMXDY-BZNIZROVSA-N 352.390 2.910 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1C(=O)O)[C@@H](C2)C3=O 587433058 MRIFSCFZKMDLCL-GUYCJALGSA-N 355.302 2.790 5 1 FFBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O 587434781 ZPNZAMBIRPTEPC-DYZYQPBXSA-N 372.289 2.706 5 1 FFBF CC(C)NC(=S)N[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21 73349661 WQCYUBYHVJUJKZ-GJZGRUSLSA-N 366.487 2.711 5 1 FFBF COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c([N+](=O)[O-])c1 587434073 QRABWYNWCDSQDY-FZKQIMNGSA-N 369.329 2.879 5 1 FFBF COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])C[C@@H]2OC 85730879 STSBYRGOIMMOGC-IQFQHSCCSA-N 359.422 2.830 5 1 FFBF CCCc1c(O)ccc2c1O[C@@](C)(CCn1cnc([N+](=O)[O-])n1)CC2=O 587469853 HCOQHNDVKNFSBE-KRWDZBQOSA-N 360.370 2.659 5 1 FFBF COc1cc2c(cc1O)c1c3c4c(cc(O)c(OC)c42)CCN3C(=O)C1=O 85996102 YXKXWUSITKJTBA-UHFFFAOYSA-N 365.341 2.507 5 1 FFBF biogenic Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587266970 CWHKZOIUBWQDFI-SNVBAGLBSA-N 355.333 2.910 5 1 FFBF CCN(CC)C[C@@H](O)Cn1c2ccccc2c(=O)c2cccc(C(=O)O)c21 49588937 RZJCEYQQEYHGSF-CQSZACIVSA-N 368.433 2.556 5 1 FFBF O=[N+]([O-])c1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-] 586925302 YNVSHWIUYRNUCT-VOTSOKGWSA-N 374.334 2.824 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccnc(O)c2[nH]1 587265908 YHBQUCSZUFVMOS-VIFPVBQESA-N 372.337 2.923 5 1 FFBF O=[N+]([O-])c1cc(Sc2nnnn2Cc2ccccc2)cc([N+](=O)[O-])c1 1772627344 IGJMSNNMVHFTEE-UHFFFAOYSA-N 358.339 2.689 5 1 FFBF COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@]5(c6ccccc6N[C@]15[C@@H]2C)[C@H]34 85541639 JOAAIYRFWUHKSF-VZGUGNCASA-N 352.434 2.574 5 1 FFBF biogenic,in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])n(C)n2)N1 587751199 LENPCFNXUAMMGT-NXSYQRQQSA-N 369.194 2.854 5 1 FFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(=O)O)c(F)cc2[nH]1 587269517 PMMPUGYUJAVTQY-UHFFFAOYSA-N 359.269 2.700 5 1 FFBF CCCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)oc12 169344939 CCPBTSNJBVYNQH-UHFFFAOYSA-N 358.302 2.638 5 1 FFBF COc1cc(OCc2nc3cc(C(=O)O)c(F)cc3[nH]2)ccc1[N+](=O)[O-] 587262479 AITSAHSYXTYCBQ-UHFFFAOYSA-N 361.285 2.896 5 1 FFBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(Cl)cnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263351 LOTIGQBAMVPPAO-PRJMDXOYSA-N 357.197 2.925 5 1 FFBF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587194182 NWCUZPBGOSVXGT-CYBMUJFWSA-N 363.418 2.989 5 1 FFBF COc1cc(NC(=O)/C=C/c2c(O)cccc2[N+](=O)[O-])cc(OC)c1OC 169312381 JOSBKRVWTUAFNL-BQYQJAHWSA-N 374.349 2.978 5 1 FFBF O=[N+]([O-])c1ccc(CCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] 98085177 CXUPIKFOYBQLBD-UHFFFAOYSA-N 356.382 2.868 5 1 FFBF O=c1c2ccc(F)cc2ncn1CCCCCCn1cnc([N+](=O)[O-])c1 473119915 NTVAOLVXWNPFDD-UHFFFAOYSA-N 359.361 2.901 5 1 FFBF C[C@@]1(COc2ccc(-c3ccc(F)nc3)nc2)Cn2cc([N+](=O)[O-])nc2O1 653733768 MQIRZZCIQFUHNI-KRWDZBQOSA-N 371.328 2.618 5 1 FFBF O=[N+]([O-])c1ccn(CCCc2nc3c(F)cnc(Br)c3[nH]2)n1 587273361 KNSPEHVJTDGSAM-UHFFFAOYSA-N 369.154 2.597 5 1 FFBF O=C(O)[C@@H]1CS[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)Cc1ccccc1 71296813 DSRWFTMGBCJZCR-RDJZCZTQSA-N 372.402 2.865 5 1 FFBF COc1ccc(CNc2nc([N+](=O)[O-])nc(-c3ccco3)c2NC=O)cc1 49808529 WZWRSQZZXGQDNG-UHFFFAOYSA-N 369.337 2.834 5 1 FFBF C/C=C1/C[N+]2(C)CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]32)Nc1c(OC)cccc14 13309637 XDTFSZHOQUGCHL-POHDMONSSA-O 367.469 2.984 5 1 FFBF COC(=O)C1(C(=O)OC)C/C=C/C/C=C\c2ccccc2[C@@H]1C[N+](=O)[O-] 169293220 QZINBYHRPRNVFU-FXDFVZNVSA-N 359.378 2.743 5 1 FFBF COc1ccc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 4870164 SBOXXAVLXUWGLE-YNEHKIRRSA-N 362.382 2.911 5 1 FFBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccnc(O)c3[nH]2)CC1 587269759 OKSWWUBYKWZDNL-UHFFFAOYSA-N 367.365 2.592 5 1 FFBF COc1cncc(N)c1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 587252700 JVVCYOMATBAJKE-UHFFFAOYSA-N 364.159 2.886 5 1 FFBF Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccc(Cl)cc3nc-2c1=O 1619728 QEYHOVKABYDDMC-UHFFFAOYSA-N 373.199 2.891 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(F)n3)cc1)C2 66263207 UOIHOJLZLJLKHY-AWEZNQCLSA-N 370.340 2.970 5 1 FFBF COC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c1 587263630 XNQJEYJSPINBKW-UHFFFAOYSA-N 357.322 2.845 5 1 FFBF O=C(NCCCCc1cccnc1)c1ccc2nc3ccccc3c(=O)n2c1 29563718 LTXALSZKGGRIKD-UHFFFAOYSA-N 372.428 2.995 5 1 FFBF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 36185150 QPCHBZQNLODOBU-HNNXBMFYSA-N 361.423 2.873 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Br)ncc2[nH]1 587267759 QBQZIQXMZAOYSO-SSDOTTSWSA-N 351.164 2.743 5 1 FFBF COCCOc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1[N+](=O)[O-] 587264715 IBSYSCXNQGWNJI-UHFFFAOYSA-N 357.322 2.862 5 1 FFBF CC[N@+]12CC[C@@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 253685505 FLQDEIOQMBKPDI-HWUCZRHSSA-N 363.481 2.627 5 1 FFBF NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)cc1 28712018 XAQMQYCPMOVAQB-UHFFFAOYSA-N 361.301 2.896 5 1 FFBF CC[C@H](C)Nc1ncc(C(=O)NCCOC)c(-c2cccc([N+](=O)[O-])c2)n1 82136133 SAISREJAIMKMBX-LBPRGKRZSA-N 373.413 2.638 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587266964 CWHKZOIUBWQDFI-JTQLQIEISA-N 355.333 2.910 5 1 FFBF O=[N+]([O-])c1cc(Br)cc2nc([C@H](O)C3CCOCC3)[nH]c12 586914199 WIXMMIJONOMCHB-GFCCVEGCSA-N 356.176 2.694 5 1 FFBF COc1cc2c(cc1OC)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@+]1(C)[O-] 257621883 XKKFNYKNDDHAQC-ZJOUEHCJSA-N 371.389 2.688 5 1 FFBF CN1CC[N+](C)(CCCOc2c3occc3cc3ccc(=O)oc23)CC1 25964103 FUBPLNUHVAKDQE-UHFFFAOYSA-N 357.430 2.700 5 1 FFBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1ccc(Cl)cc1 96929444 VZKCRDMBKDIVKX-HNNXBMFYSA-N 363.761 2.644 5 1 FFBF COc1cc(OCc2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1[N+](=O)[O-] 587261575 DVXOJVQXKBSHDG-UHFFFAOYSA-N 355.310 2.641 5 1 FFBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1cc(C)ccc1C 96929450 BPTUPQWXLQGLDX-QGZVFWFLSA-N 357.370 2.608 5 1 FFBF COC(=O)[C@@H]1C[C@]23CCC[N+]4([O-])CC[C@]5(c6ccccc6N(C)[C@@]15CC2)[C@@H]34 238756562 BNUUKLQENFAVRA-IHFVOQJJSA-N 368.477 2.967 5 1 FFBF Cc1cc(N(C)Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])cc1F 587137421 ZMZJCNMFBFDOEA-UHFFFAOYSA-N 360.305 2.858 5 1 FFBF O=[N+]([O-])c1ccnc(-c2cc([N+](=O)[O-])cc(-c3cc([N+](=O)[O-])ccn3)n2)c1 238809193 LXEQHJWEGOYDGN-UHFFFAOYSA-N 368.265 2.930 5 1 FFBF COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nc(C)n2c31 101315190 MTLXDBXSTFPBGA-UHFFFAOYSA-N 350.422 2.729 5 1 FFBF Cc1cc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)ccc1Cl 29487238 UIDAKBUBEPZNST-UHFFFAOYSA-N 352.781 2.546 5 1 FFBF CNC(=O)c1nc(C)c([C@@]2(C)CC(c3cccc([N+](=O)[O-])c3)=NO2)s1 13478210 SWQIXYVUYBJEEQ-MRXNPFEDSA-N 360.395 2.759 5 3 FFBF COc1nc([N+](=O)[O-])cn1CCOCc1ccc(OC(F)(F)F)cc1 40950611 GNJRQVKWSDEQRF-UHFFFAOYSA-N 361.276 2.915 5 1 FFBF O=[N+]([O-])c1ccc2nc(-c3nccnc3I)[nH]c2c1 587186768 SQACIRWOVHEHOJ-UHFFFAOYSA-N 367.106 2.533 5 1 FFBF N[C@H](N=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587270394 WYYHEPANHYLZCK-MRXNPFEDSA-N 355.310 2.586 5 1 FFBF O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cn3ccnc3)cc2)cc1 43011933 YPBVWMGEGHBUFZ-UHFFFAOYSA-N 359.363 2.607 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265922 YKHOKSRYLVMEJV-HRDYMLBCSA-N 356.304 2.637 5 1 FFBF CO/C(O)=C1/C(C)=Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 139059846 BRXSJJNCFQWJMD-MKVLZVNKSA-N 374.378 2.995 5 1 FFBF N[C@H](Cc1cccc(Br)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586983613 GASDYCADBZICQM-SNVBAGLBSA-N 362.187 2.871 5 1 FFBF CC1=C(C(=O)Oc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 40567095 SEGORAIRDLPERB-INIZCTEOSA-N 353.334 2.828 5 1 FFBF O=[N+]([O-])c1cc(CSc2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 135893495 GLYYPVZSSUURQB-UHFFFAOYSA-N 358.339 2.771 5 1 FFBF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587432202 ILKHNCJBTLKHNU-BBATYDOGSA-N 357.318 2.806 5 1 FFBF COC(=O)C1(C(=O)OC)C/C=C\C/C=C/c2ccccc2[C@@H]1C[N+](=O)[O-] 169293221 QZINBYHRPRNVFU-JMKHXZCXSA-N 359.378 2.743 5 1 FFBF CC(C)(O)[C@@H]1Oc2cc3oc4c5ccc(O)cc5oc(=O)c4c3cc2[C@H]1O 2356337652 ZJBOZZWXWWQLRJ-SJLPKXTDSA-N 368.341 2.963 5 1 FFBF O=[N+]([O-])c1c(Br)cccc1-c1ccc2c(O)nc(O)nc2n1 587365435 CTJPJGJVYXSMHX-UHFFFAOYSA-N 363.127 2.774 5 1 FFBF COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 13760651 SNEWVMXJSABDSK-UHFFFAOYSA-N 353.334 2.584 5 1 FFBF in-vitro CCCC[C@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])C(C)=O 27185495 CPZDELNNGIKUAD-JTQLQIEISA-N 353.379 2.700 5 1 FFBF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587232564 ZOSKMNJWVUPMSG-WDEREUQCSA-N 364.377 2.647 5 1 FFBF O=C(NC(=S)/N=c1/[nH]c2ccccc2s1)c1ccc([N+](=O)[O-])cc1 6244216 YSZXCORQMVUNBR-UHFFFAOYSA-N 358.404 2.753 5 1 FFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587264211 DDNPUCAVXJCFTM-VIFPVBQESA-N 367.287 2.833 5 1 FFBF O=C(/C=C/c1ccccc1)OCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 1857615481 NFJLXVLRJBJAGX-DHZHZOJOSA-N 364.361 2.991 5 1 FFBF COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]34 85541632 JOAAIYRFWUHKSF-XOJMXNCBSA-N 352.434 2.574 5 1 FFBF biogenic,in-vitro CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(O)cc2)NC(=O)N1 5523471 BBQKJUNIQHROLK-MRXNPFEDSA-N 368.349 2.567 5 1 FFBF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 36185152 QPCHBZQNLODOBU-OAHLLOKOSA-N 361.423 2.873 5 1 FFBF Nc1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587268471 ZKYMYAZVHGEQHH-UHFFFAOYSA-N 369.566 2.926 5 1 FFBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])n(C)n2)N1 587751197 LENPCFNXUAMMGT-JKYUHCHBSA-N 369.194 2.854 5 1 FFBF COC(=O)[C@@H]1C[C@]23CCC[N+]4([O-])CC[C@]5(c6ccccc6N[C@@]15CC2)[C@@H]34 238761344 KWXHCCIXBUPHTG-OAYUBMCFSA-N 354.450 2.943 5 1 FFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cncc(Br)c2[nH]1 587266894 CGICZDUHKVLGHE-SSDOTTSWSA-N 351.164 2.743 5 1 FFBF Cc1cc(Cl)ccc1-n1c2nc(=O)n(C)c(=O)c-2nc2ccccc21 29481637 XCXPLNYSLASYRV-UHFFFAOYSA-N 352.781 2.546 5 1 FFBF CCOC(=O)C1=C(CC)NC(C)=C(C(=O)OC)[C@H]1c1ccc([N+](=O)[O-])cc1 49124646 ZPHBSZUSTBOEKD-MRXNPFEDSA-N 374.393 2.956 5 1 FFBF COc1cc2ccc(=O)oc2cc1OCC(=O)c1ccc([N+](=O)[O-])cc1 95586636 JOVNWUQJCYHVFT-UHFFFAOYSA-N 355.302 2.972 5 1 FFBF COc1ccc(Cl)c2c1CCN[C@]2(C(=O)O)c1ccc([N+](=O)[O-])cc1 963260590 YXQDCWHGRUXYJB-QGZVFWFLSA-N 362.769 2.731 5 1 FFBF CCS(=O)(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])s2)s1 29043949 HEISHJXFNLGQHP-UHFFFAOYSA-N 365.483 2.702 5 1 FFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263984 PVGXMOSHNWGUBE-VQVTYTSYSA-N 359.279 2.780 5 1 FFBF COc1ccc2c(c1OC)C[N@+]1(C)CCc3cc4c(cc3[C@@H]1[C@H]2O)OCO4 299847337 CMFDMPFPVKCSCF-URVUXULASA-N 370.425 2.724 5 1 FFBF COC(=O)c1cc2c([N+](=O)[O-])cccc2n(Cc2ccc(F)cc2)c1=O 1772598256 NAEPRQCPPBZJPP-UHFFFAOYSA-N 356.309 2.884 5 1 FFBF C[C@]12Cc3cc4c(cc3[C@@]1(c1ccc([N+](=O)[O-])cc1)OCCO2)OCO4 1663112 CTDADBHYUADXAE-RBUKOAKNSA-N 355.346 2.929 5 1 FFBF Nc1ccc(-c2ccc3nc(-c4cnc(N)c([N+](=O)[O-])c4)[nH]c3c2)cc1N 587268390 VDAFVHLCOFTMPC-UHFFFAOYSA-N 361.365 2.947 5 1 FFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3c(cc2[nH]1)OCCCO3 587263860 GZWWBXWYUVQUCF-NSHDSACASA-N 370.365 2.581 5 1 FFBF O=[N+]([O-])c1ccc(CSc2nnnn2Cc2ccc([N+](=O)[O-])cc2)cc1 473133954 ABMLCQJJZXOPAY-UHFFFAOYSA-N 372.366 2.830 5 1 FFBF CCN(CC)C[C@H](O)Cn1c2ccccc2c(=O)c2cccc(C(=O)O)c21 49588935 RZJCEYQQEYHGSF-AWEZNQCLSA-N 368.433 2.556 5 1 FFBF Cc1nccc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 587266164 JBZDXBGNHYNGKT-VFZGTOFNSA-N 372.341 2.617 5 1 FFBF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H]([N+](=O)[O-])[C@H]3O 169342967 LPLQYRVFEPBTKH-KSSFIOAISA-N 373.361 2.958 5 1 FFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(C(F)(F)F)nc1)C2 72126011 JDPZHLMATFLFJB-GXFZAYBSSA-N 370.287 2.696 5 1 FFBF O=C(NCc1nc2c3c(cccc3n1)C(=O)N=N2)c1ccc([N+](=O)[O-])cc1 169710191 JZRJLTVHQIGHKK-UHFFFAOYSA-N 362.305 2.706 5 1 FFBF Nc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587252075 VFKIDFPXKQXHJT-UHFFFAOYSA-N 355.310 2.777 5 1 FFBF CCCc1c(O)ccc2c1O[C@](C)(CCn1cnc([N+](=O)[O-])n1)CC2=O 587469854 HCOQHNDVKNFSBE-QGZVFWFLSA-N 360.370 2.659 5 1 FFBF CNC(=O)C1=CC(C(F)(F)F)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21 26397105 OELSKZONJFAGSZ-UHFFFAOYSA-N 370.205 2.980 5 1 FFBF CCn1nc(C)c(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(=O)OC)c1C 587648046 ZHHBLOZLWQJNIA-UHFFFAOYSA-N 370.365 2.932 5 1 FFBF CN(C)S(=O)(=O)c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587280418 WLQQAQRDSBFBOD-UHFFFAOYSA-N 374.374 2.822 5 1 FFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)ncc2[nH]1 587276244 JOWGOSOXTVJUNF-SSDOTTSWSA-N 351.164 2.629 5 1 FFBF CCCCNC[C@H](O)COc1cc(O)c2c(=O)c3ccccc3oc2c1 96933354 AORKXODVJFADSZ-ZDUSSCGKSA-N 357.406 2.781 5 1 FFBF COc1ccc(-c2[nH]nc(O)c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 95567854 VWQAJCYKXGKORL-UHFFFAOYSA-N 354.322 2.951 5 3 FFBF CN(C)C(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587269410 MZJRGJAIKJIHMJ-UHFFFAOYSA-N 368.349 2.564 5 1 FFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccnc(Br)c2[nH]1 587277358 UJSGTUQCCXAWBT-SSDOTTSWSA-N 351.164 2.629 5 1 FFBF Cn1c(=O)nc2n(-c3ccc(Cl)c(Cl)c3)c3ccccc3nc-2c1=O 1849943 YWVSMIYEAZRTGK-UHFFFAOYSA-N 373.199 2.891 5 1 FFBF O=c1ccccn1[C@@H]1c2cc([N+](=O)[O-])ccc2OC2(CCCCC2)[C@H]1O 27554907 FSVQLNPBBFBYFL-MSOLQXFVSA-N 356.378 2.802 5 1 FFBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1cnc(-c3ccc(F)cc3)cn1)CC2 1772604876 IVYBGOAKRJZJOL-CYBMUJFWSA-N 371.328 2.618 5 1 FFBF C[C@@H]1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 13828837 HOWFCNMWQPJPBN-ZUZCIYMTSA-N 364.354 2.642 5 1 FFBF CS(=O)(=O)c1cc(-c2nc3cnccc3[nH]2)cc([N+](=O)[O-])c1Cl 586926312 NEANFCPFWIQVGE-UHFFFAOYSA-N 352.759 2.590 5 1 FFBF C[C@H](CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12)N(C)C 169349320 DIHLEIRADLVBRW-CQSZACIVSA-N 374.444 2.681 5 1 FFBF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587160236 NJJVVQUGSVNUQI-UHFFFAOYSA-N 364.358 2.528 5 1 FFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)cnc2[nH]1 587277541 XWFVIQLPPRUVAI-ZETCQYMHSA-N 351.164 2.629 5 1 FFBF COCCNc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1[N+](=O)[O-] 587265299 OGBDIRIJERYGHR-UHFFFAOYSA-N 356.338 2.925 5 1 FFBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])n(C)n2)N1 587750185 HDIZEGCOPLJKIB-UOWDBTKRSA-N 369.194 2.854 5 1 FFBF N[C@H](N=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587264516 NCUJGRNQNDMZMQ-OAHLLOKOSA-N 356.298 2.694 5 1 FFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ncc[nH]c-2n1 587261291 ANFWGXLWHRQCGR-VIFPVBQESA-N 357.326 2.564 5 1 FFBF O=[N+]([O-])c1cnc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1 587161839 RNBXVNPZVHMWKJ-UHFFFAOYSA-N 373.735 2.965 5 1 FFBF O=C(O)CCCn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 653717103 OBVMGYHNJVBJKS-UHFFFAOYSA-N 355.350 2.624 5 1 FFBF O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)NCCc1ccccc1 9352648 KGDWHUFYTPRXQN-UHFFFAOYSA-N 374.418 2.589 5 3 FFBF O=[N+]([O-])c1cc2n(n1)C[C@H](OCc1ccc(OC(F)(F)F)cc1)CO2 40899745 QHIQCMALCARQKW-NSHDSACASA-N 359.260 2.668 5 1 FFBF CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(CN2CCOCC2)cc1 1857589280 PKVCRDCFFPOGBE-UHFFFAOYSA-N 373.409 2.685 5 1 FFBF COc1cccc(CNc2nc(C)c([N+](=O)[O-])c(-n3ccnc3C)n2)c1 28821418 LZOJTZRJFLFMAB-UHFFFAOYSA-N 354.370 2.808 5 1 FFBF O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccc([N+](=O)[O-])o3)SC2)cc1 72177397 IJCPPXCPUDRZRO-UHFFFAOYSA-N 372.322 2.713 5 1 FFBF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1 40567098 BGMVPVGSTKMLMK-CYBMUJFWSA-N 351.384 2.770 5 1 FFBF O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1cccc([N+](=O)[O-])c1 96271912 CJNNDPLFFZCEMI-UHFFFAOYSA-N 354.274 2.652 5 1 FFBF CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccccc1[N+](=O)[O-] 621471986 QEJKTBSHBCYYHJ-IEMQHYRPSA-N 372.337 2.840 5 1 FFBF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccccc1[N+](=O)[O-] 587638506 RGRACZGEQOCVEE-UHFFFAOYSA-N 368.301 2.792 5 1 FFBF CC(C)CCn1c(C(=O)O)cc(=O)c2cc3c(=O)cc(C(=O)O)oc3cc21 29545653 JZOZWPOCSWDJKR-UHFFFAOYSA-N 371.345 2.550 5 1 FFBF NC[C@H](O)CNCCCCNCc1c2ccccc2cc2ccccc12 13529681 LOCTTWNAMANHSI-IBGZPJMESA-N 351.494 2.772 5 1 FFBF CC1=NC(=O)N[C@H](c2ccc([N+](=O)[O-])s2)[C@H]1C(=O)OC1CCCC1 169719460 QMYVGFBUQGHCND-QWHCGFSZSA-N 351.384 2.984 5 1 FFBF CCS(=O)(=O)NCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 586943733 IDSREJFKSGCRAS-UHFFFAOYSA-N 369.450 2.531 5 1 FFBF COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cn1 587269803 QRZFFVMCGQCACR-UHFFFAOYSA-N 367.365 2.920 5 1 FFBF CN(C)CCCNc1nn2c(=O)c3cc(F)ccc3nc2c2ccccc12 1772572449 ZCACIIVWCXHBAP-UHFFFAOYSA-N 365.412 2.899 5 1 FFBF CC(=O)N1N=C(Nc2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1OC1=CC=C1 45285667 BFQWDYNHKOTLDK-OAHLLOKOSA-N 371.378 2.979 5 1 FFBF