smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Nc1cccc2nsnc12)c1ccccc1[N+](=O)[O-] 373659 OWKGUWIVOYDNTN-UHFFFAOYSA-N 300.299 2.852 5 50 DFBA O=[N+]([O-])c1cccc(OCCOc2cccc([N+](=O)[O-])c2)c1 1704133 GBCBXHQZIWRUCA-UHFFFAOYSA-N 304.258 2.961 5 50 DFBA Nc1ccc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2549262 ZBGSZXXCRMGRTB-UHFFFAOYSA-N 303.343 2.908 5 50 DFBA COc1c(C)cnc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c1C 185179254 PBKOIHWKKMQVNB-UHFFFAOYSA-N 302.334 2.737 5 50 DFBA CC1(C)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CCS1 279332042 PKBUYUMPCDGLRL-UHFFFAOYSA-N 308.403 2.881 5 50 DFBA C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 5675194 FQTBNHNSLSVAIQ-BXKDBHETSA-N 324.333 2.676 5 50 DFBA O=C(NCc1ccccn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 17031426 IUCOVXYWJANDIH-UHFFFAOYSA-N 306.709 2.965 5 50 DFBA CCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1cnn(C)c1 594403494 YFXPFNGAJVJUFH-UHFFFAOYSA-N 320.374 2.717 5 50 DFBA O=[N+]([O-])c1cccc(Cl)c1N[C@H]1C[C@@H](Cn2cncn2)C1 2325780832 RPLARVFLCJLFQR-AOOOYVTPSA-N 307.741 2.730 5 50 DFBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]2CCCC[C@@H]21 4374832 ZQWRPVSMOXIPJB-OLZOCXBDSA-N 324.402 2.938 5 50 DFBA Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] 285787619 LVNPQVKOOMLDHG-GJZGRUSLSA-N 304.346 2.687 5 50 DFBA CC1=C([N+](=O)[O-])[C@H](c2ccccc2C(F)(F)F)NC(=O)N1C 285491 UEABLMDXZTYDMA-JTQLQIEISA-N 315.251 2.910 5 50 DFBA O=C(NCc1ccc(C(=O)O)cc1)Nc1ccc([N+](=O)[O-])cc1 5041948 VAQVXRWMZJDGIN-UHFFFAOYSA-N 315.285 2.615 5 50 DFBA CCCO[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 157854044 PFQXSJBNOQFTLZ-CYBMUJFWSA-N 322.361 2.722 5 50 DFBA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1 4902126 GNELJUARCOOWAF-KRXBUXKQSA-N 312.281 2.975 5 50 DFBA COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1 239653919 BLQLNMFULDYFFU-HRCADAONSA-N 318.373 2.804 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(CCOC2)C1 162669010 NMLMNESJLGLIKQ-HNNXBMFYSA-N 305.334 2.548 5 50 DFBA C[C@H]1C[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 2058205 GQFHJIKDAWTYQF-UWVGGRQHSA-N 307.306 2.621 5 50 DFBA C=CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1F 136594622 HSFRTUOYRXFEMB-UHFFFAOYSA-N 319.248 2.704 5 50 DFBA Cc1csc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 170602955 RAXQHDGSWHDOMW-UHFFFAOYSA-N 306.347 2.990 5 50 DFBA Cc1ccc(NCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 355069 SSHOPOZEWKCBKM-UHFFFAOYSA-N 311.297 2.569 5 50 DFBA COc1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 3832976 IELVKTHXVAQOKO-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA CN(C)CCCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4269442 CRYHDMVUAFTYFU-UHFFFAOYSA-N 317.345 2.536 5 50 DFBA C[C@H]1CN(CCCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 20167308 CUQDRTOJGDTTBS-KBPBESRZSA-N 308.378 2.863 5 50 DFBA Cc1nnc(-c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)o1 4184244 RNYKFFYPKWJVKO-LLVKDONJSA-N 304.306 2.544 5 50 DFBA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1-n1ccnc1 4301557 SBQIXEKWOOYYMX-UHFFFAOYSA-N 302.168 2.708 5 50 DFBA Cc1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c([N+](=O)[O-])cc1C 239212618 TUQAATQHHZTGNV-UOVKNHIHSA-N 312.325 2.523 5 50 DFBA O=C(Cc1ccccc1[N+](=O)[O-])NCCNC1CCCCCC1 238108559 INIZLCJFEPGTAT-UHFFFAOYSA-N 319.405 2.566 5 50 DFBA O=C(Nc1cc(Br)ccc1[N+](=O)[O-])C(F)(F)F 217044742 ALUWSCKFRFJVEW-UHFFFAOYSA-N 313.029 2.858 5 50 DFBA Cc1ccc(Nc2ncnc(N)c2[N+](=O)[O-])c(Br)c1 4059585 RAJHYMXYPCCXGK-UHFFFAOYSA-N 324.138 2.782 5 50 DFBA COc1ccc(C)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 145200 AUPKLLGBGOMTQL-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ncccc1C 4999189 MBJLZAPSXFMVDM-UHFFFAOYSA-N 302.290 2.951 5 50 DFBA O=C(c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4543610 AJJXUPWZAVOODE-UHFFFAOYSA-N 312.325 2.662 5 50 DFBA O=C1OC(c2ccccc2)=N/C1=C\Nc1cccc([N+](=O)[O-])c1 100508847 FNZDRFHAYZRUFY-UVTDQMKNSA-N 309.281 2.852 5 50 DFBA O=C(/C=C/c1ccco1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 4687349 HWONGZCMWDWIFS-BQYQJAHWSA-N 317.326 2.714 5 50 DFBA COc1ccccc1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 102061 GNUACNGBBDDYBJ-UHFFFAOYSA-N 300.314 2.842 5 50 DFBA C[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 5672691 DYHFYNXLBFTXSD-KOLCDFICSA-N 307.306 2.812 5 50 DFBA O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCCC1 4881895 AQHSEKOLOANZDC-UHFFFAOYSA-N 303.362 2.821 5 50 DFBA CCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 4985425 XEYHVAVTZZJBQQ-UHFFFAOYSA-N 315.373 2.992 5 50 DFBA O=C(NCc1ccc(Cl)cc1Cl)c1n[nH]cc1[N+](=O)[O-] 5642276 PBNAIQFZWVDMGD-UHFFFAOYSA-N 315.116 2.555 5 50 DFBA C[C@H](C[C@H]1CC(C)(C)OC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 4690017 YSZDGQFJCSOZLX-MNOVXSKESA-N 320.345 2.901 5 50 DFBA O=C1OC(c2ccccc2)=N/C1=C/c1cccc([N+](=O)[O-])c1O 35242657 KUAMJGYCUBQAQE-FMIVXFBMSA-N 310.265 2.645 5 50 DFBA C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)CCCOC1 170613030 RXSCXJHSTAQIHH-MRXNPFEDSA-N 315.329 2.898 5 50 DFBA O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCCC1 4913204 OKYIOJOZLFFRGP-UHFFFAOYSA-N 303.362 2.821 5 50 DFBA C[C@@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O 35877057 XLGFJLZGIWCAQX-SNVBAGLBSA-N 302.286 2.706 5 50 DFBA O=[N+]([O-])c1ccc(OCCCCCCN2CCOCC2)cc1 19607315 DQEUTVHWGMBRFD-UHFFFAOYSA-N 308.378 2.866 5 50 DFBA Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)O)c1 264104 VJZVENZGENEWNU-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA COc1ccccc1CNC(=O)c1cccc(C)c1[N+](=O)[O-] 466415 YATCQVIBBYAAKX-UHFFFAOYSA-N 300.314 2.842 5 50 DFBA CC(C)(C)C1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 2782439 OYZFTHLEWDTCRI-UHFFFAOYSA-N 322.409 2.903 5 50 DFBA Cc1nn(C)c(NCc2cc(-c3ccccc3)on2)c1[N+](=O)[O-] 301257191 FYJMYSQIRKYEKU-UHFFFAOYSA-N 313.317 2.904 5 50 DFBA CN(C)CCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 4986651 AUWDWXTWSXZHEV-UHFFFAOYSA-N 303.362 2.848 5 50 DFBA Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)n1 121533588 GKACLZXATVXSCY-UHFFFAOYSA-N 301.302 2.624 5 50 DFBA CC[C@@H]1CCCCN1C(=O)COc1c(F)cccc1[N+](=O)[O-] 185017280 BDSYLSZQKITFSV-LLVKDONJSA-N 310.325 2.904 5 50 DFBA C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(O)c([N+](=O)[O-])c1 164413963 DIFVETQLHSMSDV-JTQLQIEISA-N 301.302 2.529 5 50 DFBA Cc1cccc(N2CCO[C@@H](c3nccs3)C2)c1[N+](=O)[O-] 170602854 QTSCLSQBTPNIMJ-GFCCVEGCSA-N 305.359 2.938 5 50 DFBA COc1ccccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1OC 121893 JHPISYFCSBUSEP-UHFFFAOYSA-N 316.313 2.793 5 50 DFBA Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] 447472 ZOWHSAMLVIYDKZ-UHFFFAOYSA-N 314.297 2.927 5 50 DFBA COc1ccc(Cl)cc1NC(=O)c1nn(C)c(C)c1[N+](=O)[O-] 2763332 DKGDIFYWWBLQCZ-UHFFFAOYSA-N 324.724 2.551 5 50 DFBA Cn1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cn1 252501903 UKZNRIRPVPQWAF-UHFFFAOYSA-N 319.324 2.974 5 50 DFBA Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-] 452329 DMDUTJVKPYGWKF-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA Cc1cc(NCc2ncc(C(F)(F)F)[nH]2)ncc1[N+](=O)[O-] 952881748 JEXCPEKWYGBGKE-UHFFFAOYSA-N 301.228 2.652 5 50 DFBA CC[C@@H](Oc1ccccc1)C(=O)Nc1ncc([N+](=O)[O-])s1 4460338 BJQZFWVUWUUMQV-SNVBAGLBSA-N 307.331 2.847 5 50 DFBA Cc1cc(NC(=O)N(C)C[C@H]2CCCCO2)ccc1[N+](=O)[O-] 153782387 QNCNLAUQCRYHFZ-CYBMUJFWSA-N 307.350 2.936 5 50 DFBA O=[N+]([O-])c1cc(Cl)c(C(F)(F)F)cc1N1CCNCC1 96027851 RUYXNJVKDCLPDA-UHFFFAOYSA-N 309.675 2.677 5 50 DFBA Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] 226645 OGKHAUXGSODLLI-UHFFFAOYSA-N 314.297 2.927 5 50 DFBA C[C@@H](C(=O)Nc1nc2ccccc2s1)n1cc([N+](=O)[O-])cn1 1423685 NHCXHRYOCXCOCQ-QMMMGPOBSA-N 317.330 2.601 5 50 DFBA Cc1ccc(Cl)cc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 1070101 TYXJOSFDMZVFLV-VIFPVBQESA-N 308.725 2.953 5 50 DFBA Cc1ccc(C(C)(C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cn1 408514051 POFPXUXPWRVQHV-UHFFFAOYSA-N 314.345 2.546 5 50 DFBA CC[S@](=O)[C@H]1CCC[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 267337319 CUCZCIWFWPSAIC-IDFMNXDXSA-N 311.407 2.790 5 50 DFBA Nc1ccccc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 5064560 DSLOCJFQJIJUAR-UHFFFAOYSA-N 303.343 2.908 5 50 DFBA COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 183292 CECIVJZZTOAYOQ-UHFFFAOYSA-N 314.297 2.942 5 50 DFBA CS[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 117426975 ASVYBVDMANILKP-WDEREUQCSA-N 310.375 2.704 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](O)c1ccccc1 156013631 YXGIHJMQGUCFOR-OAHLLOKOSA-N 315.329 2.758 5 50 DFBA O=[N+]([O-])c1ccc([C@@H]2CN[C@H](c3ccc4c(c3)OCO4)O2)cc1 19333113 MILBSLMMVSWOBR-HOTGVXAUSA-N 314.297 2.683 5 50 DFBA C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 70434 WSCNOWZOBPOZJY-LBPRGKRZSA-N 300.314 2.851 5 50 DFBA COc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 572105 QSGJHVUDFIJQLP-UHFFFAOYSA-N 315.281 2.643 5 50 DFBA COc1ccc2nc3n4cc(C)c(=O)c(C)c4c(=S)n3c2c1 22062273 WYBVBNOWEQJIER-UHFFFAOYSA-N 311.366 2.893 5 50 DFBA in-vitro CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)N1O 269039 XLXTUVGSCBNUSN-UHFFFAOYSA-N 321.377 2.735 5 50 DFBA Cc1c(OS(C)(=O)=O)ccc2c1oc(=O)c1ccccc12 2996370 NULCAXNBMVSXAG-UHFFFAOYSA-N 304.323 2.593 5 50 DFBA Cc1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1[N+](=O)[O-] 100943355 CDDIINQPQIMWTL-RYUDHWBXSA-N 320.732 2.925 5 50 DFBA COc1cc(C(=O)N2CCCCCC2)c([N+](=O)[O-])cc1OC 445638 LTCCUULQQPGRNC-UHFFFAOYSA-N 308.334 2.628 5 50 DFBA O=[N+]([O-])c1ccc(N2CCN(CCc3ccccc3)CC2)cc1 4981121 HIAJFTBTNVXHGH-UHFFFAOYSA-N 311.385 2.960 5 50 DFBA O=[N+]([O-])c1cnn(CCc2nc(-c3c[nH]c4ccccc34)no2)c1 225551910 AHQBLFPBSFIWIS-UHFFFAOYSA-N 324.300 2.565 5 50 DFBA CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]12 104160458 VOARIUUNMNTZEJ-BTQDYEIMSA-N 312.325 2.605 5 50 DFBA CC[C@H](NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 170625989 HKLLXGFNNRXRIY-XKFXPAEWSA-N 306.406 2.763 5 50 DFBA CC(=O)Nc1ccc(-c2cnnn2-c2ccc([N+](=O)[O-])cc2)cc1 275764 IMQYCJGASSHOPL-UHFFFAOYSA-N 323.312 2.801 5 50 DFBA O=[N+]([O-])c1ccc(-c2nc(NCCCO)c3ccccc3n2)cc1 1774812 ZMWSRZPAYYPGOT-UHFFFAOYSA-N 324.340 2.999 5 50 DFBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC)c(Cl)c2)n1 371801 HBYHTEIYOBSJKD-UHFFFAOYSA-N 324.724 2.726 5 50 DFBA Cc1noc(C2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 241287508 LLZXURQIMLFEAL-UHFFFAOYSA-N 320.324 2.805 5 50 DFBA COc1cccc(N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] 185559720 JZZSTXNLNHOWBP-OCCSQVGLSA-N 316.361 2.887 5 50 DFBA O=C(OCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3132844 ULVFRRGXEDYWEM-UHFFFAOYSA-N 302.242 2.860 5 50 DFBA Cc1cn(C[C@H](O)Cc2ccc3ccccc3c2)nc1[N+](=O)[O-] 362330287 PCDOFUZQDVXPQS-MRXNPFEDSA-N 311.341 2.857 5 50 DFBA CCN(CC)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 16125187 BCJGPZGRXWUAAQ-UHFFFAOYSA-N 301.140 2.839 5 50 DFBA in-vitro O=C1c2cc([N+](=O)[O-])ccc2[C@H]2C(=O)c3cc([N+](=O)[O-])ccc3[C@@H]12 2518982 BXJKCKOGMALGKM-ZIAGYGMSSA-N 324.248 2.763 5 50 DFBA Cc1ncc(CN(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])s1 177196967 WIWQTLOHEYMRCI-UHFFFAOYSA-N 309.322 2.771 5 50 DFBA O=Cc1csc([N+](=O)[O-])c1-c1c(C=O)csc1[N+](=O)[O-] 4088527 MSKXLNBATYYFJT-UHFFFAOYSA-N 312.284 2.918 5 50 DFBA COC(=O)c1cc(C)nc(N2Cc3ccccc3C2)c1[N+](=O)[O-] 241784822 RXATUFNSUCNUJL-UHFFFAOYSA-N 313.313 2.605 5 50 DFBA C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 166193356 WXVKNURWMZKPHR-IINYFYTJSA-N 308.334 2.834 5 50 DFBA COc1ccc(C=O)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 313214 IALUWBNGRXVZBJ-UHFFFAOYSA-N 301.254 2.635 5 50 DFBA O=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 22246394 VHQGURIJMFPBKS-UHFFFAOYSA-N 315.197 2.623 5 50 DFBA CC/C=C/CCn1cc(Br)c(=O)c([N+](=O)[O-])c1 186268438 SYNKLHLQAFFGJZ-ONEGZZNKSA-N 301.140 2.875 5 50 DFBA Cc1c(C(=O)NC2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 3106243 IKOQRKALPFWDTC-UHFFFAOYSA-N 307.306 2.874 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NCN1C(=O)c2ccccc2C1=O 5005269 JOJQKUVZMGXAPB-UHFFFAOYSA-N 311.297 2.569 5 50 DFBA Cc1cc(N2CCC[C@H]2c2nc(C)c(C)[nH]2)ncc1[N+](=O)[O-] 904217752 QTZGNOBUGXJKGP-LBPRGKRZSA-N 301.350 2.980 5 50 DFBA CC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 180198 FAHWFTCDFDDNQD-UHFFFAOYSA-N 320.326 2.598 5 50 DFBA Cc1ccnc(Sc2nnc(C(F)F)n2C)c1[N+](=O)[O-] 241231041 KRMDTVLCVXTMJV-UHFFFAOYSA-N 301.278 2.516 5 50 DFBA C[S@@](=O)(=NC(=O)[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 1615588803 SLFSGWPJXMEHHX-FIKIJFGZSA-N 308.359 2.934 5 50 DFBA O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(Cl)c1Cl 1428145 HOABDIFYZFBINO-UHFFFAOYSA-N 315.116 2.737 5 50 DFBA COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1 436088 ZCOAWPRGCDGHTC-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA Cc1ccc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)c1 4053984 RUXJQRMOHFTVDC-UHFFFAOYSA-N 312.373 2.933 5 50 DFBA CC(=O)Nc1ccc(CNc2ccc([N+](=O)[O-])c(C)n2)cc1 301634295 KIVGTQUGXBDVBZ-UHFFFAOYSA-N 300.318 2.869 5 50 DFBA C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 273144747 KUGASBDXLMPFTM-OLZOCXBDSA-N 321.377 2.599 5 50 DFBA CCOC(=O)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 278788 NXQPERWAIDCMHO-FNORWQNLSA-N 318.373 2.883 5 50 DFBA COc1ccc(CCN(C)c2ccc([N+](=O)[O-])cn2)cc1OC 22799057 VVNBNNJUYWWXJD-UHFFFAOYSA-N 317.345 2.686 5 50 DFBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccs1 4104334 OVAXOKPOTLDQSA-UHFFFAOYSA-N 307.356 2.783 5 50 DFBA Cc1ccc(N2C(=N)C(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])c1 4760298 MFBJFHAEYYCANP-UHFFFAOYSA-N 324.296 2.854 5 50 DFBA C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 248120293 UZHQMAOTUMUBRB-MJBXVCDLSA-N 304.394 2.831 5 50 DFBA COc1ccc2c(c1)CCN2C(=O)c1cccc([N+](=O)[O-])c1O 127519145 QTVLVVKNCGZNJT-UHFFFAOYSA-N 314.297 2.512 5 50 DFBA CC(C)n1ncc2c1C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])CC2 328586280 OTQCGFYHZUTQSM-CYBMUJFWSA-N 315.377 2.924 5 50 DFBA C[C@@H](C[C@H]1CC(C)(C)OC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 4690015 YSZDGQFJCSOZLX-QWRGUYRKSA-N 320.345 2.901 5 50 DFBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 5119933 YHMGWKIBBFVCQR-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA O=C(COC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 860337 UVSHJNKBGCKXSQ-UHFFFAOYSA-N 303.245 2.774 5 50 DFBA CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)[C@]12CCCO2 273437765 AOUCAIVOXFBSPO-BZUAXINKSA-N 322.361 2.742 5 50 DFBA Cc1nc([C@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)[nH]c1C 1775989342 LFHMTTRVVJKJMD-LBPRGKRZSA-N 301.350 2.714 5 50 DFBA CCOC(=O)/C=C/c1ccc(Br)cc1[N+](=O)[O-] 96028282 XRTBTPDPXPXTDW-GQCTYLIASA-N 300.108 2.934 5 50 DFBA in-vitro COc1cccc(N2CC[C@@H](C3CCN(C)CC3)C2)c1[N+](=O)[O-] 274699143 PDJVHEUWCLOZEO-CQSZACIVSA-N 319.405 2.772 5 50 DFBA Cc1cc(N2CCC[C@H](n3ccnn3)CC2)ccc1[N+](=O)[O-] 874435240 OLRBJZJRVBOQFI-ZDUSSCGKSA-N 301.350 2.726 5 50 DFBA CCCO[C@H]1CCCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 164579602 OXOASEQDIHKPHE-ZDUSSCGKSA-N 322.361 2.722 5 50 DFBA O=C(c1ccccc1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 4594347 XZJSKKMINTXKOK-UHFFFAOYSA-N 303.245 2.736 5 50 DFBA Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] 311441 LSIKUMXKKBCRSF-UHFFFAOYSA-N 300.270 2.884 5 50 DFBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1SCc1ccco1 4107207 BGXTULFBBDSOHP-UHFFFAOYSA-N 319.386 2.890 5 50 DFBA Cc1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1[N+](=O)[O-] 101899880 PFVMRCJKUNJOLH-ZKYQVNSYSA-N 300.314 2.605 5 50 DFBA Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc(O)n1 120591127 JHBVDZRGPWOFQN-JTQLQIEISA-N 313.313 2.595 5 50 DFBA CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1 3791739 KTDZCOWXCWUPEO-UHFFFAOYSA-N 314.363 2.678 5 50 DFBA biogenic,in-vivo CC[C@@H]1c2cccn2CCN1C(=O)c1cc([N+](=O)[O-])ccc1N 170605140 PITADUWQGSCQKF-CQSZACIVSA-N 314.345 2.586 5 50 DFBA CCN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4071519 IJVPFSQKXOCKSW-UHFFFAOYSA-N 306.343 2.810 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=O)C(Cl)(Cl)Cl 4725609 ZNPYZUWOLOJVPJ-UHFFFAOYSA-N 313.524 2.912 5 50 DFBA CC1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1 4187822 CVBCGCHISYISNG-UHFFFAOYSA-N 323.368 2.807 5 50 DFBA CC[C@H]1CCCCN1C(=S)NC(=O)c1cccc([N+](=O)[O-])c1 459087 UGHVDFDVJDROQA-LBPRGKRZSA-N 321.402 2.874 5 50 DFBA CN(C)Cc1ccc(CNc2cc(N)ccc2[N+](=O)[O-])cc1F 408515945 DHRCMQUJFJHIKM-UHFFFAOYSA-N 318.352 2.990 5 50 DFBA C[C@H]1C[C@@H](C(=O)Nc2c(F)cc([N+](=O)[O-])cc2F)CCC1=O 1775993541 FBNFBZXRZIQUFW-YUMQZZPRSA-N 312.272 2.817 5 50 DFBA O=[N+]([O-])c1ccc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(F)c1 253393103 QGXQUFFBXHIPAF-XHDPSFHLSA-N 324.352 2.714 5 50 DFBA O=C(CNCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 55473713 FCIHTRIUVSXJOW-UHFFFAOYSA-N 319.748 2.977 5 50 DFBA O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@@H]4[C@H]5C[C@H]5[C@H]4[C@@H]32)c([N+](=O)[O-])c1 247351831 WGFAANRNHZIUTQ-QKTDADKESA-N 316.313 2.920 5 50 DFBA CC(C)c1nc(Oc2cccc([N+](=O)[O-])c2)nc(N(C)C)n1 270902937 FYRUTQDQABWTIT-UHFFFAOYSA-N 303.322 2.762 5 50 DFBA CN(C)c1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 170603143 GOYHNYRZCVXQBM-UHFFFAOYSA-N 315.329 2.643 5 50 DFBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)c(Cl)c1 4784705 MIOYZRBJJMZHNT-UHFFFAOYSA-N 315.116 2.887 5 50 DFBA CC(=O)Nc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 453104 AGGITPOJUXGOMR-UHFFFAOYSA-N 313.313 2.734 5 50 DFBA COc1ccccc1C1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1 4589606 QWIWCGCBBCUOEV-UVTDQMKNSA-N 324.292 2.948 5 50 DFBA CCOc1ccc([C@H](C)N[C@H]2C[C@H]3CC[C@H]2O3)cc1[N+](=O)[O-] 110700628 SDQPJUKQBKKKCD-QMPIGLIWSA-N 306.362 2.964 5 50 DFBA O=[N+]([O-])c1ccc(CCN2CCO[C@@H](c3nccs3)C2)cc1 195521787 LGQBGPAOGSRYCY-CQSZACIVSA-N 319.386 2.667 5 50 DFBA Cc1cccc(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])c1 190284 CSKMFLFLBCIJOI-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA Cn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)cnc21 4837768 VEMUPUOCIHNXLA-UHFFFAOYSA-N 319.368 2.947 5 50 DFBA Cc1ccc(C(=O)N(C)Cc2c(C)nn(C)c2C)cc1[N+](=O)[O-] 371680 NTMZYDPPXHKFPJ-UHFFFAOYSA-N 316.361 2.526 5 50 DFBA Nc1nnc(Sc2ccc([N+](=O)[O-])c3cccnc23)s1 220134574 WDLHVJZKVABYLS-UHFFFAOYSA-N 305.344 2.728 5 50 DFBA COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccccc2[nH]1 322675534 LCQQGFHVPAKIKN-UHFFFAOYSA-N 312.285 2.732 5 50 DFBA COc1c(C)cc(CN(C)c2c([N+](=O)[O-])nc(C)n2C)cc1C 170614823 RSIPTLZZZNQHRS-UHFFFAOYSA-N 318.377 2.899 5 50 DFBA C[C@H]1C[C@H](C(=O)Nc2c(F)cc([N+](=O)[O-])cc2F)CCC1=O 1775993539 FBNFBZXRZIQUFW-JGVFFNPUSA-N 312.272 2.817 5 50 DFBA COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)cc1 190192 GKGJZTHESZPOTF-UHFFFAOYSA-N 316.269 2.554 5 50 DFBA Cc1cc(O)nc([C@H](C)N(C)CCc2ccccc2[N+](=O)[O-])n1 253417263 HLMOCNSNXFTEAZ-LBPRGKRZSA-N 316.361 2.634 5 50 DFBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)ccc1Cl 508207 KRBTXNUYQOCVIY-UHFFFAOYSA-N 315.116 2.887 5 50 DFBA O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1NC1CCCCC1 4093876 CJJGMIJSLMJERV-UHFFFAOYSA-N 307.266 2.784 5 50 DFBA CC(C)(C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 96035 LIGLEBVIZHIHCO-UHFFFAOYSA-N 306.347 2.996 5 50 DFBA COc1ccccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 103398 ZJXNVBWAYNYZLM-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA Cc1cc(NC(=O)N(C)C[C@@H]2CCCCO2)ccc1[N+](=O)[O-] 153782291 QNCNLAUQCRYHFZ-ZDUSSCGKSA-N 307.350 2.936 5 50 DFBA O=C(Oc1ccc(F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 2534512 IRAWNQIHBNWCIH-UHFFFAOYSA-N 306.205 2.861 5 50 DFBA O=[N+]([O-])c1cnc(N2CCC[C@@H](Oc3ncccc3F)C2)s1 253395690 ZQSOIRFIVNSFKQ-SECBINFHSA-N 324.337 2.633 5 50 DFBA CCN(CCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 271022395 VBXQYRYAQBHKJY-UHFFFAOYSA-N 307.375 2.533 5 50 DFBA CC(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 127570 QJDYFRCWWJPEGQ-UHFFFAOYSA-N 320.326 2.598 5 50 DFBA CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1(C)C 119103754 GSEYNALJPIPKPN-BBRMVZONSA-N 322.361 2.576 5 50 DFBA C[C@@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 170606562 IDEHAVWEVIHGSE-CQSZACIVSA-N 319.405 2.663 5 50 DFBA CN1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 952881831 HLIGGTKEVVTJKW-PHIMTYICSA-N 324.768 2.559 5 50 DFBA COC1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 408518342 BMKJYYSNTZEGSB-UHFFFAOYSA-N 315.167 2.973 5 50 DFBA CCCN(CCC)C(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 2997921 AFCKSJBHOXKKHC-UHFFFAOYSA-N 318.329 2.963 5 50 DFBA O=C(CCC(=O)N1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1 6690939 WEWPQMWFEWOVAV-UHFFFAOYSA-N 319.361 2.716 5 50 DFBA CN(C)CCCCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 1616040458 LJSBOYKUYDISRI-UHFFFAOYSA-N 313.785 2.662 5 50 DFBA C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 5093251 PHQCDSJVIWPYTB-NSHDSACASA-N 306.343 2.634 5 50 DFBA C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 3887928 ZLRMJDWDDCKZRY-VIFPVBQESA-N 318.782 2.669 5 50 DFBA CCN(CC)CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 4839447 HFLZRKHSVZEGIC-UHFFFAOYSA-N 313.785 2.710 5 50 DFBA COC1(OC)CCOC[C@@H]1CCNc1ccc([N+](=O)[O-])c(C)c1 1775987999 XILJTRMIYDKXTE-ZDUSSCGKSA-N 324.377 2.731 5 50 DFBA Cc1ccc([N+](=O)[O-])c(NCc2nc3ccc(F)cc3n2C)n1 170601909 BNHBQXHHPGJKPD-UHFFFAOYSA-N 315.308 2.936 5 50 DFBA C[C@@H](Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccn1 585118929 IVIDQZIVYJVZAP-QMMMGPOBSA-N 311.139 2.753 5 50 DFBA COC(=O)c1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 316327 GFZCIUKZLZGNNX-UHFFFAOYSA-N 314.297 2.942 5 50 DFBA C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 2058204 GQFHJIKDAWTYQF-NXEZZACHSA-N 307.306 2.621 5 50 DFBA C[C@@H]1C[C@@H](C(=O)Nc2c(F)cc([N+](=O)[O-])cc2F)CCC1=O 1775993540 FBNFBZXRZIQUFW-SFYZADRCSA-N 312.272 2.817 5 50 DFBA C[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 5676222 DYHFYNXLBFTXSD-GXSJLCMTSA-N 307.306 2.812 5 50 DFBA CCN(CC)C(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 240952 NNQPFSVBYKDJPY-HNNXBMFYSA-N 319.405 2.675 5 50 DFBA O=C(COc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1O 35832784 YXGSXVAENCBGPH-UHFFFAOYSA-N 322.704 2.971 5 50 DFBA O=C(O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4342770 HCNDRCXDWXUIPG-VIFPVBQESA-N 304.224 2.667 5 50 DFBA O=C(COc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cn1 4881580 GTAUYDVFTVQZRT-UHFFFAOYSA-N 307.693 2.661 5 50 DFBA COc1ccccc1NC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1 1761864 JLPNCNGMAGPLBG-UHFFFAOYSA-N 314.297 2.815 5 50 DFBA COC(=O)c1ccccc1OC(=O)c1ccccc1[N+](=O)[O-] 2865117 KQHBKHXBPVCTCK-UHFFFAOYSA-N 301.254 2.601 5 50 DFBA COc1cc(C)ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] 4542823 GHECALHGODIDSS-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2Cl)o1 4974048 BMOKPZMHGCIMDD-UHFFFAOYSA-N 323.736 2.992 5 50 DFBA O=[N+]([O-])c1cccnc1N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 425287124 VFNFECIYSYIUMR-ZIAGYGMSSA-N 319.748 2.956 5 50 DFBA O=[N+]([O-])c1ccc(CO[C@@H]2C[C@@H]3[C@@H]2[C@@H]2[C@@H]4C[C@H]4[C@H]32)c([N+](=O)[O-])c1 247351833 WGFAANRNHZIUTQ-RRXFPGCWSA-N 316.313 2.920 5 50 DFBA O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1[C@H]1CCCO1 375914880 UWVYYYIBXNAQML-UONOGXRCSA-N 308.309 2.518 5 50 DFBA COC(=O)c1sccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 370199 NHZISDWHSYKOCR-UHFFFAOYSA-N 320.326 2.624 5 50 DFBA CS[C@@H]1CCC[C@@H]1N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 221949344 VIGZCXGIFZTHTL-RRFJBIMHSA-N 310.419 2.844 5 50 DFBA CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1782104 RVOCVQIHHGGTLS-LLVKDONJSA-N 307.306 2.908 5 50 DFBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1 4814491 AKPROZFEICUQDY-UHFFFAOYSA-N 314.269 2.674 5 50 DFBA O=[N+]([O-])c1ccc(CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 101673293 PGHIRDZUMYBGEF-BQFCYCMXSA-N 315.417 2.901 5 50 DFBA CC(C)CCCN1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 1615585982 ODXGKIOTTKLACU-UHFFFAOYSA-N 307.398 2.697 5 50 DFBA NC(=O)c1c(Cl)cccc1NCc1ccc([N+](=O)[O-])cc1 172940259 DYYPQNIQOCCSDR-UHFFFAOYSA-N 305.721 2.959 5 50 DFBA O=[N+]([O-])c1cnc(NC2CCN(CC3=CCCCC3)CC2)nc1 1616037498 MFSFVQKGDJMBKG-UHFFFAOYSA-N 317.393 2.762 5 50 DFBA O=c1nc2c3cc(F)ccc3ncn2nc1-c1ccc(F)cc1 408525853 YQWQUJLPKYSAMS-UHFFFAOYSA-N 310.263 2.583 5 50 DFBA O=C(Nc1nnc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 1226778 BDOKZUVVJDIWCE-UHFFFAOYSA-N 318.236 2.717 5 50 DFBA CCc1[nH]nc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] 248740565 DEKHJUXAVCCMSH-HOSYDEDBSA-N 306.366 2.531 5 50 DFBA COc1ccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 184220 NJSUGAQZWKHOOK-JXMROGBWSA-N 312.325 2.933 5 50 DFBA biogenic O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@H]4[C@H]5C[C@H]5[C@H]4[C@@H]32)c([N+](=O)[O-])c1 247351822 WGFAANRNHZIUTQ-ITTIRHFBSA-N 316.313 2.920 5 50 DFBA O=[N+]([O-])c1c(N2CCC[C@H]2c2nc[nH]n2)ccc2ncccc12 685944821 ATQBBQRWYNIXHO-ZDUSSCGKSA-N 310.317 2.603 5 50 DFBA O=C(c1cc(F)ccc1[N+](=O)[O-])N(Cc1cccnc1)C1CC1 193610573 JFPBADAGWRMQGT-UHFFFAOYSA-N 315.304 2.934 5 50 DFBA COc1cc([N+](=O)[O-])c(C(=O)O)cc1OCc1ccccc1 337936 MKUIZUTZPMISIV-UHFFFAOYSA-N 303.270 2.881 5 50 DFBA COC(=O)c1ccc(Oc2ccc(C=O)cc2[N+](=O)[O-])cc1 167714 MVAAQVNRRYCLNZ-UHFFFAOYSA-N 301.254 2.986 5 50 DFBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(N)nc1 170618487 FREBDCZYPVKXHY-UHFFFAOYSA-N 315.333 2.511 5 50 DFBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H](O)C2)o1 4985976 SMDREIUPALVXIS-LBPRGKRZSA-N 302.330 2.812 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccccc1 438655 KODDSCXBIOKAGE-UHFFFAOYSA-N 306.343 2.845 5 50 DFBA CC(C)C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C 450377 FJKRODFOJPAOJT-UHFFFAOYSA-N 300.380 2.554 5 50 DFBA Cc1cccc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1O 4833194 CDHHRGLIUNIEJQ-UHFFFAOYSA-N 316.313 2.935 5 50 DFBA O=[N+]([O-])c1ccc(CN2CCN(Cc3ccco3)CC2)cc1 169378 HTTOPZXLJIPTFT-UHFFFAOYSA-N 301.346 2.506 5 50 DFBA COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 244155 JKBOPDBKSOACQA-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA COc1c([N+](=O)[O-])cc(Br)nc1Br 675050753 SRVSMMGVISFPFS-UHFFFAOYSA-N 311.917 2.523 5 50 DFBA O=[N+]([O-])c1ccc(OCc2cn3cccnc3n2)cc1Cl 193591939 YTUISMXUWXHGDF-UHFFFAOYSA-N 304.693 2.870 5 50 DFBA COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-] 188943 MKEWTDTWTGGZSN-UHFFFAOYSA-N 316.269 2.554 5 50 DFBA O=C(Nc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 2974861 SZAAZVDFICHPSC-UHFFFAOYSA-N 300.270 2.618 5 50 DFBA CN(OCc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1O 121209729 PYKZSRATCAOVRB-UHFFFAOYSA-N 302.286 2.504 5 50 DFBA O=C(c1cccc([N+](=O)[O-])c1)n1c(=O)sc2ccccc21 6345348 VJSBZWUNGCVQQT-UHFFFAOYSA-N 300.295 2.660 5 50 DFBA CC(C)(C)c1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 318718 BRPKDYSLOAGHIF-UHFFFAOYSA-N 306.347 2.996 5 50 DFBA COC(=O)c1ccc(OCc2ccc(OC)c([N+](=O)[O-])c2)cc1 858947 HXGIWINJYYULBK-UHFFFAOYSA-N 317.297 2.969 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cccc(C)c1 4817014 MQFXHLMCPZEDCF-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA Cc1nn(CCCC(=O)Nc2ccc(F)cc2)c(C)c1[N+](=O)[O-] 1429848 GDBWVYPPZXPEFV-UHFFFAOYSA-N 320.324 2.966 5 50 DFBA CCn1cc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)n1 373009 POWMBAOTEKJTHB-UHFFFAOYSA-N 322.752 2.703 5 50 DFBA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 100591177 NPOLYOHVBVYDHZ-NEPJUHHUSA-N 306.705 2.617 5 50 DFBA CCOc1ccc(C(=O)Nc2nnc(CC)s2)cc1[N+](=O)[O-] 449909 KLWKYHFXERAJMP-UHFFFAOYSA-N 322.346 2.660 5 50 DFBA Cc1ccc(CNCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 227600650 NWNKHBJHPLTEFM-UHFFFAOYSA-N 309.366 2.518 5 50 DFBA O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 127206670 BFTVFQNTJUSQCG-BMGDILEWSA-N 308.337 2.592 5 50 DFBA O=C(NCc1ccncc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 17031424 YPIOHTVGGMLKNG-UHFFFAOYSA-N 306.709 2.965 5 50 DFBA Cn1ccc2cccc(NCc3ccc(C(N)=O)cc3[N+](=O)[O-])c21 190808319 JFGDVRKGVZWELF-UHFFFAOYSA-N 324.340 2.798 5 50 DFBA Cc1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 2855989 MHKJVPPXRLGUFZ-UHFFFAOYSA-N 324.387 2.794 5 50 DFBA C[C@H]1[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]2C[C@H]1C2(C)C 241466056 NUHDHPGTPBVBFT-HBJVGIJOSA-N 321.377 2.795 5 50 DFBA COc1cccc(N2CCC([C@H]3CCCO3)CC2)c1[N+](=O)[O-] 275991092 JSTJIGKKUIEXOC-CQSZACIVSA-N 306.362 2.999 5 50 DFBA Cc1nn(C)cc1COC(=O)c1cc([N+](=O)[O-])ccc1Cl 473655 CFKODOSTYVDJTO-UHFFFAOYSA-N 309.709 2.647 5 50 DFBA O=C([C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1)N1CCCCC1 242346835 ZJNIXBLEVNYJMZ-MNOVXSKESA-N 324.406 2.644 5 50 DFBA C[C@H]1CC(c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)C[C@H](C)C1 273857455 CAGVSOGBWXRHJY-RKDXNWHRSA-N 305.338 2.918 5 50 DFBA Cc1ccc([N+](=O)[O-])c(OCCCN2C[C@H](C)O[C@H](C)C2)c1 16488565 CUTMLJMVVWGTLF-OKILXGFUSA-N 308.378 2.781 5 50 DFBA Cc1ccccc1NCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 62101 KWAYDEAQGMSSOY-UHFFFAOYSA-N 311.297 2.569 5 50 DFBA CC(C)(C)c1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 860276 JYWSPOJUWGPPLL-UHFFFAOYSA-N 320.374 2.925 5 50 DFBA Cc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C(=O)O)cc1[N+](=O)[O-] 225404360 PPITVMRUTRQGLN-ZANVPECISA-N 321.333 2.620 5 50 DFBA CC[C@H]1CCCCN1C(=O)COc1c(F)cccc1[N+](=O)[O-] 185017301 BDSYLSZQKITFSV-NSHDSACASA-N 310.325 2.904 5 50 DFBA O=C(O)c1cc(F)cc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)c1 77031515 QUQDVFDWNGGIOY-UHFFFAOYSA-N 305.217 2.797 5 50 DFBA in-vitro CCCOc1ccccc1[C@@H]1NC(=O)NC(CC)=C1[N+](=O)[O-] 4256016 NOXNYQQSICCZOR-ZDUSSCGKSA-N 305.334 2.728 5 50 DFBA CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)c2ccc(F)cc21 174453892 UQZLWKBEKQRTLM-UHFFFAOYSA-N 321.333 2.892 5 50 DFBA Cc1cc(C)cc(OCC(=O)N(C)c2ccc([N+](=O)[O-])cn2)c1 585125040 DUAQTASIWMEIIO-UHFFFAOYSA-N 315.329 2.648 5 50 DFBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=CC[C@H]1C(=O)O 4641417 BNTBMODNVKLBDI-VHSXEESVSA-N 324.720 2.854 5 50 DFBA Cc1cc(Oc2ncnc3c2CN(C)CC3)c(F)cc1[N+](=O)[O-] 253430902 OSVADMZAKWSWEW-UHFFFAOYSA-N 318.308 2.613 5 50 DFBA O=C(O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3899112 AMTKOZFKVDWUHB-UHFFFAOYSA-N 303.230 2.945 5 50 DFBA CCC[C@H](C)N1Cc2cccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2C1 241837491 SKNUYERSJJXHNK-RBOXIYTFSA-N 317.389 2.795 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](CO)c1ccccc1 156038122 PBNNNBOUTKQCNP-OAHLLOKOSA-N 315.329 2.758 5 50 DFBA COc1cc2c(cc1OC)[C@H](c1ccccc1[N+](=O)[O-])NCC2 19300542 SGYIDBQQWKZULO-KRWDZBQOSA-N 314.341 2.847 5 50 DFBA biogenic C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N[C@@H]3[C@H](CO)[C@H]1C[C@H]42 2084292162 LKZQOCJBJKPRFV-YCDRUNCWSA-N 311.449 2.526 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)C)cc1 432119 DWPUEFVKMGIVKT-UHFFFAOYSA-N 315.329 2.922 5 50 DFBA COc1ccc(C(=O)NCCc2ccc(F)cc2)cc1[N+](=O)[O-] 2991599 ZIJNBGMZLGUPOB-UHFFFAOYSA-N 318.304 2.715 5 50 DFBA CN(CCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 4833196 WLGAWAJQUXVXOJ-KRWDZBQOSA-N 300.358 2.803 5 50 DFBA CN1C[C@H]2CN(c3ccc4oc5ccccc5c(=O)c4c3)C[C@@H]2C1 43132688 WUJHMDPPANTBTQ-KBPBESRZSA-N 320.392 2.944 5 50 DFBA in-vitro CN(C)CC1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 408521931 AMWZMNKPYBGNQX-UHFFFAOYSA-N 303.284 2.611 5 50 DFBA CC[C@@H](Nc1nc(N)nc(Cl)c1N)c1cccc([N+](=O)[O-])c1 1655283337 IEJMAUVFISYJIY-SECBINFHSA-N 322.756 2.766 5 50 DFBA O=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1[N+](=O)[O-] 1137849 AJQJFKVECMUIAM-UHFFFAOYSA-N 318.236 2.717 5 50 DFBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(=O)[nH]c2ccccc12 4954040 RLVBGTQHQPUABN-UHFFFAOYSA-N 324.292 2.793 5 50 DFBA Cc1ccc(Cl)cc1N1CCN(c2[nH]ncc2[N+](=O)[O-])CC1 6401143 ANKVIPZKCQHHLZ-UHFFFAOYSA-N 321.768 2.606 5 50 DFBA CCc1ccc(Oc2nc(C)nc(N(C)C)n2)c([N+](=O)[O-])c1 488437090 YKTPQVXQGNIVNU-UHFFFAOYSA-N 303.322 2.509 5 50 DFBA O=[N+]([O-])c1ccccc1OCCN1CCO[C@H]2CCCC[C@H]21 230065967 XIXARARHMZHKFX-HIFRSBDPSA-N 306.362 2.617 5 50 DFBA Nc1ccc([N+](=O)[O-])cc1C(=O)N(CC1CC1)CC(F)(F)F 170605119 NBAMHZFKQLKOMP-UHFFFAOYSA-N 317.267 2.592 5 50 DFBA Cc1cccnc1C(Br)(Br)[N+](=O)[O-] 2173727 VOSBJMXZDHLXRV-UHFFFAOYSA-N 309.945 2.567 5 50 DFBA CCc1cc(Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)nc(C)n1 180436253 KMYVQOSXJHETAX-UHFFFAOYSA-N 317.301 2.835 5 50 DFBA Cc1nn(C(C)C)c(NCCCNc2ccccn2)c1[N+](=O)[O-] 1875294912 YITFOKWJNPEVKL-UHFFFAOYSA-N 318.381 2.990 5 50 DFBA O=[N+]([O-])c1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc1 22203913 OMCQSCSEQLLFRZ-UHFFFAOYSA-N 324.340 2.975 5 50 DFBA CCCCCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1O 3833004 NUTCHDNEAHCPMW-UHFFFAOYSA-N 302.352 2.622 5 50 DFBA COc1ccc(NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c([N+](=O)[O-])c1 101953254 YPTDBYJLHWDOGN-QYAIJTBZSA-N 302.330 2.834 5 50 DFBA CC(=O)c1ccc(NCC23CCN(CC2)CC3)c([N+](=O)[O-])c1 1615585366 CTPCDNLCNZAKST-UHFFFAOYSA-N 303.362 2.695 5 50 DFBA COC(=O)c1cc(C(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1 60813 UVFCBSSNVKVLTA-UHFFFAOYSA-N 318.260 2.773 5 50 DFBA COC(=O)c1cc(COc2cccnc2[N+](=O)[O-])c(C)s1 120082910 HJMINTIFTXGUEH-UHFFFAOYSA-N 308.315 2.725 5 50 DFBA O=C1Nc2ccccc2/C1=C\c1nc2ccc([N+](=O)[O-])cc2[nH]1 16677484 WRCUPPDBTDONRN-DHZHZOJOSA-N 306.281 2.964 5 50 DFBA O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O 620751 RCEFMOGVOYEGJN-UHFFFAOYSA-N 311.297 2.871 5 50 DFBA in-vitro O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1cccc(F)c1 4974113 MKJVRHFMHYZDFR-UHFFFAOYSA-N 319.208 2.922 5 50 DFBA Cc1c(CC(=O)O[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] 252516849 XFRGOAVZYIWLBK-DAXOMENPSA-N 319.357 2.802 5 50 DFBA COc1ccc(CCNCc2ccc([N+](=O)[O-])cc2)cc1OC 19720784 QRORSKJDUXFZLW-UHFFFAOYSA-N 316.357 2.944 5 50 DFBA COc1cc(CNCc2ccccc2[N+](=O)[O-])cc(OC)c1 19841312 LTJLWNSSIJPRIA-UHFFFAOYSA-N 302.330 2.902 5 50 DFBA O=C1c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1F 205012707 JIPIPCBUSCYQMB-UHFFFAOYSA-N 300.245 2.530 5 50 DFBA CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4619221 VMBBDUPVFHBAIL-UHFFFAOYSA-N 311.769 2.697 5 50 DFBA CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2875174 XBVHWZCIXWPNDQ-UHFFFAOYSA-N 315.285 2.775 5 50 DFBA COc1cccc(OC)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 4947635 KZFJGTUBWUZLIM-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA Cc1nn([C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 239297050 DQKCGZGIMIXYSB-KLIAIHJMSA-N 320.393 2.602 5 50 DFBA CCCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 5060431 SLEZNJBEJMDVKQ-UHFFFAOYSA-N 306.366 2.591 5 50 DFBA COCc1nc2oc3ccc(C)cc3c(=O)c2cc1C(=O)OC 1390935 PYUFXKUNQAIMDL-UHFFFAOYSA-N 313.309 2.583 5 50 DFBA O=C(Cc1ccccc1[N+](=O)[O-])NCCc1ccc(F)cc1 860319 JFPBGKRBGNJESW-UHFFFAOYSA-N 302.305 2.635 5 50 DFBA CC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 242737 KXPUVYNCPXMIGF-UHFFFAOYSA-N 310.265 2.598 5 50 DFBA CC(C)n1ncc2c1C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])CC2 328586281 OTQCGFYHZUTQSM-ZDUSSCGKSA-N 315.377 2.924 5 50 DFBA CN(C(=O)COc1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 171513108 WOOAAIJOQGCZGL-UHFFFAOYSA-N 322.267 2.915 5 50 DFBA Cc1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1[N+](=O)[O-] 310317 CDDIINQPQIMWTL-VXGBXAGGSA-N 320.732 2.925 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 4628584 BJSZGKKHYSIDSO-RYUDHWBXSA-N 306.318 2.733 5 50 DFBA Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1[N+](=O)[O-] 4794896 BVOFBRMMFNPNAX-RYUDHWBXSA-N 306.318 2.733 5 50 DFBA O=C(O[C@@H]1[C@H]2C[C@@H]2[C@H]2CC[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 102187553 MRHJYWPULMAEJR-ZSLBOAEBSA-N 318.285 2.704 5 50 DFBA COc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 303545 BHHPWIRENMWZIU-UHFFFAOYSA-N 320.276 2.760 5 50 DFBA O=C(Nc1ncc([N+](=O)[O-])s1)N[C@@H]1C[C@H]1c1ccccc1 71767345 LZYUIGASVSGNCH-VHSXEESVSA-N 304.331 2.729 5 50 DFBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N(Cc1cccnc1)C1CC1 159975067 DRPCITARZAWOHZ-UHFFFAOYSA-N 313.313 2.500 5 50 DFBA O=C(C[C@H](O)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 158120 QDCBBMRUVZXVHD-VIFPVBQESA-N 312.536 2.899 5 50 DFBA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Cl 229726530 QATQJSVIQADQPS-KGLIPLIRSA-N 323.780 2.605 5 50 DFBA Cc1[nH]c2ncnc(NC(=O)c3ccc([N+](=O)[O-])s3)c2c1C 183580077 RHBGFGFCTUANNA-UHFFFAOYSA-N 317.330 2.797 5 50 DFBA O=C(NC(=S)Nc1ccccc1)c1ccccc1[N+](=O)[O-] 454196 YVWWTNUOCVXWCJ-UHFFFAOYSA-N 301.327 2.722 5 50 DFBA O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)C1CC1 2761210 UNWARKTVBFTSAN-UHFFFAOYSA-N 304.224 2.884 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccccn1 13744694 QHKJNVUPQFXHHA-SNVBAGLBSA-N 316.317 2.881 5 50 DFBA COc1ccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1Cl 2760828 ZSOGZFKQYZEVMX-UHFFFAOYSA-N 324.724 2.551 5 50 DFBA CCCN1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 5062951 UKUZPQWZOQLNOY-UHFFFAOYSA-N 322.434 2.756 5 50 DFBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)C(=O)OC2 4725403 NQFLIDSZIDXHET-UHFFFAOYSA-N 313.269 2.909 5 50 DFBA Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(N)=O)c1C 311491 RCVHWWHHMMJPFY-UHFFFAOYSA-N 319.342 2.624 5 50 DFBA O=C1C[C@H](c2ccccc2)CN1C(=O)c1cccc([N+](=O)[O-])c1 359562 CRPXHQBFSLZUKM-AWEZNQCLSA-N 310.309 2.751 5 50 DFBA Cc1nc2ccccc2c2nc(=O)c(-c3ccc(F)cc3)nn12 585157881 BMVZLQWICZYSQD-UHFFFAOYSA-N 306.300 2.752 5 50 DFBA C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(O)c([N+](=O)[O-])c1 164232049 XVVGKTJDVGRTOY-IAQYHMDHSA-N 322.361 2.626 5 50 DFBA Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](n3ccnn3)CC2)c1 874434759 CTRQSYLSBBJAMD-ZDUSSCGKSA-N 301.350 2.726 5 50 DFBA CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1ccccc1 952888237 PGQGWJBRQZSRNE-GFCCVEGCSA-N 300.318 2.541 5 50 DFBA Cc1nn([C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1[N+](=O)[O-] 239297051 DQKCGZGIMIXYSB-QKGWFMCXSA-N 320.393 2.602 5 50 DFBA C[C@@H](C[C@@H]1CC(C)(C)OC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 4690011 YSZDGQFJCSOZLX-WDEREUQCSA-N 320.345 2.901 5 50 DFBA CC[C@H](Oc1ccccc1)C(=O)Nc1ncc([N+](=O)[O-])s1 4460336 BJQZFWVUWUUMQV-JTQLQIEISA-N 307.331 2.847 5 50 DFBA CCCCN(Cc1ccccc1)c1ncnc(N)c1[N+](=O)[O-] 3912624 XUYINJOIPPNKAJ-UHFFFAOYSA-N 301.350 2.774 5 50 DFBA NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 2869215 PKIOFAQFDMAWKR-UHFFFAOYSA-N 308.366 2.613 5 50 DFBA O=[N+]([O-])c1cnc(N[C@@H]2CCN(CC(F)(F)F)C2)c(Cl)c1 301278608 MYESFRBYUFRGMP-SSDOTTSWSA-N 324.690 2.692 5 50 DFBA Cn1ncc(OCc2ccc([N+](=O)[O-])cc2)c1C(F)(F)F 408522003 BNKCGNSSUGKHMI-UHFFFAOYSA-N 301.224 2.926 5 50 DFBA CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2cccs2)CC1 192681663 SWWFTSXGSHJSSO-UHFFFAOYSA-N 321.406 2.508 5 50 DFBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccnc2)c([N+](=O)[O-])c1 38144563 NNFCFDYRIJDRTR-UHFFFAOYSA-N 305.206 2.550 5 50 DFBA Cc1cc(NC2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] 301111705 PGDHHTUZKJSTBK-UHFFFAOYSA-N 313.361 2.774 5 50 DFBA O=C1C[C@H](c2ccccc2)CN1C(=O)c1ccccc1[N+](=O)[O-] 3099407 MJMQHAOHBWFSLA-ZDUSSCGKSA-N 310.309 2.751 5 50 DFBA CCN1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C 240244206 DKWVYOHXMYMCEH-OCCSQVGLSA-N 320.393 2.931 5 50 DFBA COc1cc2c(cc1OC)[C@@H](c1ccccc1[N+](=O)[O-])NCC2 19300543 SGYIDBQQWKZULO-QGZVFWFLSA-N 314.341 2.847 5 50 DFBA biogenic Cc1c(C(=O)NCc2cccc([N+](=O)[O-])c2)sc2cncn12 2325862753 HEXDFJBCWWREEC-UHFFFAOYSA-N 316.342 2.542 5 50 DFBA Cc1nn(CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1C 282896919 RBXRCEJKBAVMFT-UHFFFAOYSA-N 302.334 2.745 5 50 DFBA Cc1ccnc(N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c1[N+](=O)[O-] 585092152 HECNCZCEQQHCGP-ZDUSSCGKSA-N 315.377 2.662 5 50 DFBA O=C1OC(c2ccccc2)=NC1=Cc1cccc([N+](=O)[O-])c1O 2053539374 KUAMJGYCUBQAQE-UHFFFAOYSA-N 310.265 2.645 5 50 DFBA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 4856757 JSZAXVISTMGEKV-BONVTDFDSA-N 314.297 2.762 5 50 DFBA O=C(Nc1cc(SCCO)cc([N+](=O)[O-])c1)c1ccco1 2743894 IXLFDRFIFRYMKV-UHFFFAOYSA-N 308.315 2.525 5 50 DFBA COC(=O)c1sccc1NC(=O)c1ccccc1[N+](=O)[O-] 461582 MXKRFHRFSXTIBJ-UHFFFAOYSA-N 306.299 2.695 5 50 DFBA CC(=O)Nc1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1 466886 BCUZLPBDEZQLRU-UHFFFAOYSA-N 314.297 2.910 5 50 DFBA O=C(NCc1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1 4923448 RMJYMBIJKXIKBI-UHFFFAOYSA-N 315.285 2.645 5 50 DFBA CCc1[nH]nc(-c2nc(-c3cccc(F)c3)no2)c1[N+](=O)[O-] 225631116 WISMHVGKZMMOSL-UHFFFAOYSA-N 303.253 2.736 5 50 DFBA Cc1ccc(F)c(NC(=O)[C@@H](C)Cn2nc([N+](=O)[O-])cc2C)c1 2788220 IIMICHUGICTEGW-JTQLQIEISA-N 320.324 2.822 5 50 DFBA CCOC(=O)c1cnc2cc(Cl)c3ccccc3n2c1=O 39344068 NBPHCAVUJHQQKW-UHFFFAOYSA-N 302.717 2.678 5 50 DFBA Cc1ccnc(NCc2ncc(C(F)(F)F)[nH]2)c1[N+](=O)[O-] 952993847 KYIGMZSPBZVXOU-UHFFFAOYSA-N 301.228 2.652 5 50 DFBA CCc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4289703 LMDBVGLZYIQMBY-UHFFFAOYSA-N 306.343 2.958 5 50 DFBA O=C(O[C@H]1[C@H]2C[C@H]2[C@H]2CC[C@H]21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16952636 MRHJYWPULMAEJR-ZUWCUPBKSA-N 318.285 2.704 5 50 DFBA COc1cccc(-c2nc(N)c3c(=O)oc4ccccc4c3n2)c1 341787 OYKLGZIPJQOSMI-UHFFFAOYSA-N 319.320 2.994 5 50 DFBA COC(=O)c1cc(NC(=O)Cc2ccsc2)cc([N+](=O)[O-])c1 136148539 YIWRKMROQXFVJK-UHFFFAOYSA-N 320.326 2.624 5 50 DFBA C[C@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 254665 ONJRUVTXHXNRLN-LLVKDONJSA-N 310.309 2.822 5 50 DFBA O=[N+]([O-])c1cccnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 280535005 RWKJHDHNHICXIZ-IYBDPMFKSA-N 324.384 2.558 5 50 DFBA Nc1cc([N+](=O)[O-])c(OC(F)(F)F)cc1Br 44564109 YZMYNIDWJGKAQL-UHFFFAOYSA-N 301.018 2.838 5 50 DFBA in-vitro O=[N+]([O-])c1cc(OC(F)(F)F)cc(Br)c1O 96028518 AOCPREMUOFIAQK-UHFFFAOYSA-N 302.002 2.962 5 50 DFBA CCCCS[C@@H](C)C(=O)Nc1ncc([N+](=O)[O-])cc1OC 952883810 QUQRDCMYXMEBQB-VIFPVBQESA-N 313.379 2.859 5 50 DFBA COC1(OC)CCOC[C@H]1CCNc1ccc([N+](=O)[O-])c(C)c1 1775987998 XILJTRMIYDKXTE-CYBMUJFWSA-N 324.377 2.731 5 50 DFBA C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 223072 ZEFQIKQUXGNXPA-LLVKDONJSA-N 306.343 2.634 5 50 DFBA CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccc([N+](=O)[O-])cc1 2572733 HTDDLFNQWIQXQX-NSHDSACASA-N 324.333 2.505 5 50 DFBA O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 4455779 RMXCDUUORYKQIZ-UHFFFAOYSA-N 317.320 2.966 5 50 DFBA Cc1nn(Cc2ncnn2CC(C)C)c2ccc([N+](=O)[O-])cc12 272328666 DFBONJYSYIAJHP-UHFFFAOYSA-N 314.349 2.549 5 50 DFBA Cc1nn([C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1[N+](=O)[O-] 1068566 KHTMMUKDPISEOV-SECBINFHSA-N 323.740 2.656 5 50 DFBA Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 2788484 FQJVISPWGYKVFH-MRVPVSSYSA-N 324.287 2.653 5 50 DFBA O=[N+]([O-])c1cnc(N2CCC(OCc3ccccc3)CC2)nc1 253426917 BXYKBCCGFXXPDX-UHFFFAOYSA-N 314.345 2.570 5 50 DFBA Cc1cnn([C@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])C2)c1 193415653 KSSNHYLCYSJNKP-ZDUSSCGKSA-N 301.350 2.523 5 50 DFBA O=[N+]([O-])c1ccc(CNCCc2ccc3c(c2)OCO3)cc1 19720509 TUECNEYTOGNNOJ-UHFFFAOYSA-N 300.314 2.656 5 50 DFBA CCCC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1C 4949482 CKPWDMOJRFTPPW-GFCCVEGCSA-N 323.368 2.880 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 229963368 BPBSXZMLLWDWFB-UOVKNHIHSA-N 312.325 2.605 5 50 DFBA Cc1cc(N[C@H]2CCC[C@H]2CN)c2cccc([N+](=O)[O-])c2n1 420197650 MHVOSCXHSBLDMH-AAEUAGOBSA-N 300.362 2.991 5 50 DFBA C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N[C@H]3[C@H](CO)[C@H]1C[C@H]42 253487521 LKZQOCJBJKPRFV-AHSCXODVSA-N 311.449 2.526 5 50 DFBA CC(C)c1nc(Oc2ccc(F)cc2[N+](=O)[O-])nc(N(C)C)n1 271188878 NUYBACGATXTPJS-UHFFFAOYSA-N 321.312 2.901 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1COc2ccccc2O1 520148 RSIIFADYEOCANA-OAHLLOKOSA-N 314.297 2.682 5 50 DFBA Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)Nc1ccc(F)c(F)c1 2788485 FQJVISPWGYKVFH-QMMMGPOBSA-N 324.287 2.653 5 50 DFBA CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 41701518 AZTQXYFVNZSXNM-CYBMUJFWSA-N 321.377 2.694 5 50 DFBA in-vitro CC1CCN(CCOCCOc2ccccc2[N+](=O)[O-])CC1 22184711 WUQJPJMSRQSBQN-UHFFFAOYSA-N 308.378 2.722 5 50 DFBA CCCO[C@@H]1CCCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 164579474 OXOASEQDIHKPHE-CYBMUJFWSA-N 322.361 2.722 5 50 DFBA C[N+]1([C@H]2CC3(CO2)CO[C@@H]([N+]2(C)CCCCC2)C3)CCCCC1 284121 KMITYZUNBIKINZ-PWCSWUJKSA-N 324.509 2.727 5 50 DFBA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4840345 KNMFONJVZGPCKZ-BMIGLBTASA-N 314.297 2.762 5 50 DFBA CC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2ncccc12 6186569 LQZNCSLLNBMUSN-UHFFFAOYSA-N 309.281 2.676 5 50 DFBA Cc1cc(N[C@@H]2CCC[C@H]2CN)c2cccc([N+](=O)[O-])c2n1 420197657 MHVOSCXHSBLDMH-WCQYABFASA-N 300.362 2.991 5 50 DFBA COc1ccc(NC(=O)c2n[nH]c([N+](=O)[O-])c2Cl)c(C)c1 6812873 NZONGRBVLPMLAV-UHFFFAOYSA-N 310.697 2.541 5 50 DFBA CCCc1cc(NC(=O)c2cc(OCC)ccc2[N+](=O)[O-])n[nH]1 253392586 DMLKAUOUHRUHAV-UHFFFAOYSA-N 318.333 2.921 5 50 DFBA C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 179200822 ADEYQKCXAFZWNO-SFHVURJKSA-N 324.336 2.812 5 50 DFBA CO[C@@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 182396757 XTQNGGYVUGMEOJ-OAHLLOKOSA-N 300.314 2.945 5 50 DFBA Cc1c(Nc2cc(C(=O)O)ccc2[N+](=O)[O-])cnn1C(F)F 2325827912 UHZMLBQVKUMWCD-UHFFFAOYSA-N 312.232 2.937 5 50 DFBA O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc([N+](=O)[O-])c(Cl)c1 139671226 VEWMXTIUTVJXKX-ZYHUDNBSSA-N 312.753 2.529 5 50 DFBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1cccnc1 305297 RJZHZFNKFBBGER-GQCTYLIASA-N 317.732 2.973 5 50 DFBA COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])cc1)NCC2 19228460 GITFNMZGMQLGOX-QGZVFWFLSA-N 314.341 2.847 5 50 DFBA biogenic Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1C1CCCCC1 162898239 BNGMFAOQAUORDP-LBPRGKRZSA-N 306.366 2.513 5 50 DFBA O=C(O)[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4724935 VIGYDMAWHBBEIT-NWDGAFQWSA-N 324.720 2.767 5 50 DFBA Cc1cc(F)ccc1NC(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1 2795402 OYUCNJGFJJKAHE-SNVBAGLBSA-N 306.297 2.514 5 50 DFBA CCc1cnc(CNc2cc(OC)c(OC)cc2[N+](=O)[O-])o1 170601912 VMWOKTATISISJU-UHFFFAOYSA-N 307.306 2.775 5 50 DFBA Cc1nn(CCCC(=O)Nc2cccc(F)c2)c(C)c1[N+](=O)[O-] 1429857 RKNUUUVYSAHPJK-UHFFFAOYSA-N 320.324 2.966 5 50 DFBA O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3F)CC2)o1 292138 XZHTUIUXDCPMOS-UHFFFAOYSA-N 305.309 2.649 5 50 DFBA Cc1cc(C)c(S(=O)(=O)N2CCCCC2)c(C)c1[N+](=O)[O-] 4071195 XRHCTPHTDBKVIJ-UHFFFAOYSA-N 312.391 2.695 5 50 DFBA CSC[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 292568332 ZTMIYZHKYVHXCQ-IUODEOHRSA-N 310.419 2.703 5 50 DFBA O=[N+]([O-])c1ccc(Sc2n[nH]c(Cc3ccccc3)n2)nc1 193409936 VAXSAWRLXHXTOA-UHFFFAOYSA-N 313.342 2.850 5 50 DFBA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 17054517 ZQNRZKWNLULXKS-FMPDERDJSA-N 318.329 2.670 5 50 DFBA Cc1nn(C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1Br 105680 DJOPPBUWOFCTTM-UHFFFAOYSA-N 324.134 2.859 5 50 DFBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(Cl)=CC[C@H]1C(=O)O 4724938 VIGYDMAWHBBEIT-NEPJUHHUSA-N 324.720 2.767 5 50 DFBA COc1cc(CNc2ccc(C)nc2C)cc([N+](=O)[O-])c1O 119056243 KUWDIPWGZUISJG-UHFFFAOYSA-N 303.318 2.933 5 50 DFBA COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1OC 2549808 DMTIPURYTPEYCG-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA O=C(Cn1cnc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl 241707051 QMFSYNFSRYENJV-UHFFFAOYSA-N 300.101 2.981 5 50 DFBA COc1cc(C(=O)N2CCc3cnccc32)cc([N+](=O)[O-])c1C 170611182 DUNGNWAHYRTXDI-UHFFFAOYSA-N 313.313 2.510 5 50 DFBA CCc1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 473998 UUGANYRLIALIGM-VMPITWQZSA-N 304.331 2.661 5 50 DFBA CCOc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 67814 FLDYIZIYWBSJJN-UHFFFAOYSA-N 322.342 2.794 5 50 DFBA Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 168377 WORPUWNRGMSWDY-UHFFFAOYSA-N 314.297 2.927 5 50 DFBA O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2c2ccn[nH]2)cc1 240412652 FNOUMEGQBXGWKL-HNNXBMFYSA-N 302.334 2.534 5 50 DFBA O=C(O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 4115690 IXLRLXCTHVMJJM-UHFFFAOYSA-N 303.230 2.945 5 50 DFBA Cc1ccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1[N+](=O)[O-] 100943352 CDDIINQPQIMWTL-NEPJUHHUSA-N 320.732 2.925 5 50 DFBA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 17054523 ZQNRZKWNLULXKS-FEZLSPKCSA-N 318.329 2.670 5 50 DFBA Cc1ccnc(N2CC[C@]3(CNc4ccccc43)C2)c1[N+](=O)[O-] 585079509 KHXCHNFTUGLBOS-KRWDZBQOSA-N 310.357 2.872 5 50 DFBA COc1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1 115657 CMLKHEVWKAKSEX-UHFFFAOYSA-N 302.286 2.621 5 50 DFBA Cc1nn(CCCC(=O)Nc2ccccc2F)c(C)c1[N+](=O)[O-] 1429835 SVAPDFWUGZDDHC-UHFFFAOYSA-N 320.324 2.966 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC[C@@H]1CO 163219906 LWUBPEYHNABLGA-RISCZKNCSA-N 307.350 2.576 5 50 DFBA O=C(O[C@@H]1[C@H]2C[C@H]2[C@H]2CC[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16952638 MRHJYWPULMAEJR-NDKCEZKHSA-N 318.285 2.704 5 50 DFBA COc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 168387 RHJJSPXBSQUEDF-UHFFFAOYSA-N 314.341 2.884 5 50 DFBA biogenic O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 2902060 MBLGXKYNISGKMO-UHFFFAOYSA-N 305.221 2.894 5 50 DFBA C[C@@H]1CN(C)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 450329289 QLLGDYHVVWGDBQ-LLVKDONJSA-N 318.402 2.859 5 50 DFBA COC(=O)Cc1cc(Br)c(Cl)cc1[N+](=O)[O-] 97756708 FTPDRNFEFYDLGB-UHFFFAOYSA-N 308.515 2.726 5 50 DFBA Cc1cncc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 188843194 ORPNKTAXFFJSPP-UHFFFAOYSA-N 300.318 2.928 5 50 DFBA O=C(O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 34924681 ATFCAZVCTUZJIS-UHFFFAOYSA-N 304.214 2.994 5 50 DFBA Cn1ncc2c(SCc3ccc([N+](=O)[O-])c(F)c3)ncnc21 170605569 FBDXHRTUUGFMCJ-UHFFFAOYSA-N 319.321 2.703 5 50 DFBA O=C(N[C@H]1CCCc2sccc21)c1cnc(O)c([N+](=O)[O-])c1 194016493 CAFXYSIKIUZBGL-JTQLQIEISA-N 319.342 2.564 5 50 DFBA CCSc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1 2074755 GEXSFYGPUKSRRM-UHFFFAOYSA-N 324.387 2.740 5 50 DFBA O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 127207149 BFTVFQNTJUSQCG-JCGIZDLHSA-N 308.337 2.592 5 50 DFBA O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCCCCC1 326685 WTVCSVAQQCCHLN-UHFFFAOYSA-N 312.391 2.986 5 50 DFBA Cc1cc([N+](=O)[O-])nn1Cc1c(F)c(F)c(F)c(F)c1F 2537795 BOOUZYOQMASAGI-UHFFFAOYSA-N 307.178 2.844 5 50 DFBA CC(=O)Oc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4868639 SJWPHYDVTHASDY-UHFFFAOYSA-N 300.270 2.772 5 50 DFBA O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCCC1 15021144 KMSPUVJLWOBQCG-UHFFFAOYSA-N 313.151 2.983 5 50 DFBA in-vitro COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4989922 MJOYNKYUFZQCAT-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA COc1ccc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])cc1Cl 355952 QKWVSMAEDJQPGE-UHFFFAOYSA-N 324.724 2.551 5 50 DFBA CC(C)Cc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1 74028 KTFLNKCFKOMTHJ-UHFFFAOYSA-N 320.374 2.826 5 50 DFBA aggregator C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 2597086 ABEVDCGKLRIYRW-JTQLQIEISA-N 315.285 2.994 5 50 DFBA O=C1c2ccc([N+](=O)[O-])cc2-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 104213194 XLPHVJZAJUVVIT-UHFFFAOYSA-N 315.197 2.623 5 50 DFBA CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 4052544 JMZFULBZCSVAGM-UHFFFAOYSA-N 320.345 2.577 5 50 DFBA CN1CCCC12CCN(Cc1cc(F)ccc1[N+](=O)[O-])CC2 253417641 QNDGLZTWRNQPRC-UHFFFAOYSA-N 307.369 2.794 5 50 DFBA CCN1CCCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H](C)C1 320687802 MGTAHCTWMVNLCI-LBPRGKRZSA-N 305.378 2.718 5 50 DFBA CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 41701516 AZTQXYFVNZSXNM-ZDUSSCGKSA-N 321.377 2.694 5 50 DFBA in-vitro C[C@@H]1CC(c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)C[C@@H](C)C1 273857450 CAGVSOGBWXRHJY-IUCAKERBSA-N 305.338 2.918 5 50 DFBA Cc1ccc(S(=O)(=O)Cc2cc([N+](=O)[O-])ccc2O)cc1 15821408 KIMFKAVCLNDLPT-UHFFFAOYSA-N 307.327 2.583 5 50 DFBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(F)ccc1F 7405083 OKBWVRLXCKPHIP-UHFFFAOYSA-N 314.269 2.674 5 50 DFBA COc1cc(N2CCC3(CCNCC3)CC2)ccc1[N+](=O)[O-] 319607772 LYYHMJMNHMDZOJ-UHFFFAOYSA-N 305.378 2.573 5 50 DFBA COC(=O)c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 445411 LVSPBKJRHHVJAC-UHFFFAOYSA-N 314.297 2.563 5 50 DFBA O=[N+]([O-])c1nn(Cc2ccccc2F)cc1Br 373794 WPZOPWRLSSGZDC-UHFFFAOYSA-N 300.087 2.741 5 50 DFBA O=[N+]([O-])c1cc(I)c(F)cc1Cl 616568692 AIGNXSKZLMKBMU-UHFFFAOYSA-N 301.442 2.992 5 50 DFBA O=c1[nH]c(/C=C/c2ccc(F)c([N+](=O)[O-])c2)nc2cnccc12 170618332 INBPVKXXAQGULB-DUXPYHPUSA-N 312.260 2.536 5 50 DFBA N=c1sc2c(n1CC(=O)c1ccc([N+](=O)[O-])cc1)CCCC2 5569402 NTTZNTVGYWOCJT-UHFFFAOYSA-N 317.370 2.699 5 50 DFBA in-vitro CCOc1ccc([C@H](C)N[C@@H]2C[C@H]3CC[C@H]2O3)cc1[N+](=O)[O-] 110700619 SDQPJUKQBKKKCD-XTWPYSKKSA-N 306.362 2.964 5 50 DFBA NC(=O)C1(CNc2ccnc3c([N+](=O)[O-])cccc23)CCCC1 432340990 RMEBPPJEEVPMKP-UHFFFAOYSA-N 314.345 2.601 5 50 DFBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccccn1 191328505 DIJVCBSLEUKZCY-UHFFFAOYSA-N 300.318 2.928 5 50 DFBA CC(C)(C)[C@H]1CCC[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] 413572470 IJSRMCWZJVDOKL-QWRGUYRKSA-N 306.366 2.715 5 50 DFBA CC(C)(C)OC(=O)N1CC(COc2ccc([N+](=O)[O-])cc2)C1 85476943 KYGJTBZVRZMVOR-UHFFFAOYSA-N 308.334 2.841 5 50 DFBA in-vitro O=[N+]([O-])c1cccc2c1O[C@]1(N3CCOCC3)CCCCC1=C2 19782154 DKAIYVQMFVYUHQ-QGZVFWFLSA-N 316.357 2.973 5 50 DFBA O=C(NCCSc1ccccn1)c1ccc([N+](=O)[O-])cc1 4676305 DIGHCDABUOMBIW-UHFFFAOYSA-N 303.343 2.512 5 50 DFBA O=C(O)[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 4725020 VOUOQKLERFJPON-NWDGAFQWSA-N 324.720 2.767 5 50 DFBA CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]21 253592469 VOARIUUNMNTZEJ-MMMKDXCPSA-N 312.325 2.605 5 50 DFBA C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(O)c([N+](=O)[O-])c1 164231959 XVVGKTJDVGRTOY-NHYWBVRUSA-N 322.361 2.626 5 50 DFBA COC(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 183920 DAHDNRDGMKTVAU-UHFFFAOYSA-N 314.297 2.563 5 50 DFBA O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1[C@@H]1CCCO1 375914876 UWVYYYIBXNAQML-KBPBESRZSA-N 308.309 2.518 5 50 DFBA O=C1CC[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 396753130 WQSUMPSSWPTQNJ-SECBINFHSA-N 317.267 2.694 5 50 DFBA Cc1nn(C[C@H](C)C(=O)Nc2ccccc2F)c(C)c1[N+](=O)[O-] 2795424 VORJHFFGCXAISS-VIFPVBQESA-N 320.324 2.822 5 50 DFBA CO[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 166141230 ZPUFHSWYZNMKFQ-CQSZACIVSA-N 302.286 2.627 5 50 DFBA Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccc(Cl)c1 45577 HKNKOUDLYNXHDQ-UHFFFAOYSA-N 309.709 2.610 5 50 DFBA O=[N+]([O-])c1cccc(C2=NOc3cc([N+](=O)[O-])ccc3N2)c1 3878806 XIADEBZGGYXMMJ-UHFFFAOYSA-N 300.230 2.669 5 50 DFBA O=C(O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4253107 RQEIUNRFWLZDPY-UHFFFAOYSA-N 303.230 2.945 5 50 DFBA O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(=O)[nH]c2ccccc12 4953590 FFRIWJZOKWHAGU-UHFFFAOYSA-N 324.292 2.793 5 50 DFBA O=[N+]([O-])c1ccn(C2CCN(c3nc4ccccc4o3)CC2)n1 369637736 JYNYLLFDOJXNBE-UHFFFAOYSA-N 313.317 2.774 5 50 DFBA COc1cc(N2CCC3(CCN(C)CC3)CC2)ccc1[N+](=O)[O-] 498050806 FEPWQTGPHXVXRC-UHFFFAOYSA-N 319.405 2.916 5 50 DFBA O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cc2ccccn2)CC1 369499089 FINVSUWBXSBMBJ-UHFFFAOYSA-N 315.329 2.678 5 50 DFBA C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccc2c(c1)NC(=O)CO2 195508240 MXRXKBLCJRFPII-ZETCQYMHSA-N 320.330 2.555 5 50 DFBA O=[N+]([O-])c1cccc(CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)c1 101866137 LYSZMVOIADELTI-QILLFSRXSA-N 315.417 2.901 5 50 DFBA CCn1ncc(Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1OC 355768 GTDRHOGEUGNSCH-UHFFFAOYSA-N 324.724 2.726 5 50 DFBA Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCCOC(C)C)c1 170593966 VLTUVAOQVLQGDV-UHFFFAOYSA-N 324.377 2.603 5 50 DFBA CC1=C(C)C[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 12416720 IFJWSFZAKJMGQO-TXEJJXNPSA-N 300.314 2.831 5 50 DFBA C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1cc([N+](=O)[O-])cn1 4686737 DUBYTVASIHQQJS-ZETCQYMHSA-N 312.688 2.784 5 50 DFBA CCOC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 6594958 JKOJXYRQXBPZLZ-UHFFFAOYSA-N 303.727 2.691 5 50 DFBA COC(=O)[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 279130541 QXAWUYKEKGJECG-WDEREUQCSA-N 315.329 2.897 5 50 DFBA C[S@@](=O)(=NC(=O)[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 1615588805 SLFSGWPJXMEHHX-MQJDWESPSA-N 308.359 2.934 5 50 DFBA C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)N1 4059157 NQZMBQDRJAFXPI-RKDXNWHRSA-N 303.284 2.800 5 50 DFBA CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)CC1 238705 RSIWOVFSYATAJX-UHFFFAOYSA-N 316.313 2.573 5 50 DFBA O=[N+]([O-])c1nn(Cc2ccc(F)cc2)cc1Br 373797 RNXGBUWRZGQKNJ-UHFFFAOYSA-N 300.087 2.741 5 50 DFBA C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 5730005 WARJEQFOTAACKB-VNHYZAJKSA-N 308.378 2.597 5 50 DFBA Cc1ccc(CN2CCC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] 131859095 HYUBGJLLXDIBCX-OAHLLOKOSA-N 300.362 2.974 5 50 DFBA O=[N+]([O-])c1cnc(N(C[C@@H](O)c2ccc(F)cc2)C2CC2)s1 408515733 KQCBRAMOZXHMNV-GFCCVEGCSA-N 323.349 2.893 5 50 DFBA CCCN(CCC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 3996080 AZKKMUYAVLJOJG-UHFFFAOYSA-N 300.380 2.714 5 50 DFBA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 55543276 MAEYICWRXFDJBR-HNNXBMFYSA-N 319.405 2.675 5 50 DFBA O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/C=C/N2CCCCC2)cc1 20036763 OHMGDDPKUMUJJJ-QGVJZHQLSA-N 322.386 2.882 5 50 DFBA O=[N+]([O-])c1c(N2CCC[C@@H](c3nc[nH]n3)C2)ccc2ncccc12 374034722 SRXHIGPSVNZFNN-LLVKDONJSA-N 324.344 2.645 5 50 DFBA CCc1nc2n(n1)CCC[C@@H]2Nc1ncc(Cl)cc1[N+](=O)[O-] 269347943 DZSJHIMCZHSJFB-VIFPVBQESA-N 322.756 2.744 5 50 DFBA CCC1(CC)[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1OC 151045936 ZVCWORXDBSWQQF-UONOGXRCSA-N 322.361 2.624 5 50 DFBA O=C(NC(=S)Nc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] 454365 APIAXNSUSJPKEK-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA Cc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 6315325 OBPHZBSPSGMKAW-UHFFFAOYSA-N 310.306 2.843 5 50 DFBA O=[N+]([O-])c1ccc2c(c1)S(=O)c1cc([N+](=O)[O-])ccc1N2 3877518 VCYRBORHWHUNIK-UHFFFAOYSA-N 305.271 2.727 5 50 DFBA O=C(COc1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 193917 MVGZEAQCCDCHON-UHFFFAOYSA-N 312.325 2.559 5 50 DFBA O=C1NC(c2ccccc2)=C([N+](=O)[O-])[C@H](c2cccc(F)c2)N1 460358 LWXZMAJWWGKMNT-AWEZNQCLSA-N 313.288 2.825 5 50 DFBA Cc1cc(NC(=O)N2C[C@H]3CCCN3C[C@H]2C)ccc1[N+](=O)[O-] 225365671 WKOKHEYPKGPHDA-TZMCWYRMSA-N 318.377 2.604 5 50 DFBA Cc1nccn1C[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 178324988 DQWQUXCPYRLNDP-QGZVFWFLSA-N 314.389 2.807 5 50 DFBA Cc1ccc(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])cc1 190311 ITGWLVOTIADMET-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 38833 BCHQFRLUOTUKRZ-UHFFFAOYSA-N 313.313 2.830 5 50 DFBA COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1 436152 ZGRVJBKBSXYVND-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA Cc1ccc(-c2noc(C(C)(C)n3cc([N+](=O)[O-])cn3)n2)cc1 585133246 CAQDINSUDXWVQE-UHFFFAOYSA-N 313.317 2.933 5 50 DFBA CC(=O)N1c2ccccc2C(=O)O[C@@H]1c1cccc([N+](=O)[O-])c1 1739263 VWXWXJUHOCXMFZ-OAHLLOKOSA-N 312.281 2.817 5 50 DFBA CCc1cnc(SCCn2cc(Cl)c([N+](=O)[O-])n2)[nH]1 585132918 GSLQYWLKEDHPOW-UHFFFAOYSA-N 301.759 2.523 5 50 DFBA O=C(NC[C@H]1OCCc2ccccc21)c1ccccc1[N+](=O)[O-] 181790 KDTQZJQXADWTAE-MRXNPFEDSA-N 312.325 2.639 5 50 DFBA Cc1cc2c(=O)n(Cc3ccc([N+](=O)[O-])cc3)cnc2s1 936998 SPHIJLQAVKWXBI-UHFFFAOYSA-N 301.327 2.723 5 50 DFBA COC(=O)c1ccc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 149026 KCJNYKUJHVISQX-UHFFFAOYSA-N 315.281 2.909 5 50 DFBA COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 285267 QLBCLRHBMLCMJX-UHFFFAOYSA-N 300.270 2.634 5 50 DFBA COC(=O)c1ccccc1N(C)C(=O)c1cccc([N+](=O)[O-])c1 471966 FGBAKXQMQBLECX-UHFFFAOYSA-N 314.297 2.658 5 50 DFBA Cc1ncc(CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)s1 175955181 OBDGGSJSOUPUTD-UHFFFAOYSA-N 319.386 2.951 5 50 DFBA Cc1ccccc1NC(=O)COc1c([N+](=O)[O-])cnc(C)c1C 408523781 VGLMIOCBKZQHKV-UHFFFAOYSA-N 315.329 2.933 5 50 DFBA COc1ccc(CCNC(=O)Nc2ccccc2[N+](=O)[O-])cc1 5013875 CAYPEPYOUVPQQU-UHFFFAOYSA-N 315.329 2.968 5 50 DFBA CC(C)Cn1ccnc1CNC(=O)c1ccc([N+](=O)[O-])cc1F 130829962 SNRQEMIHXDYOLA-UHFFFAOYSA-N 320.324 2.516 5 50 DFBA COc1ccc(CNCc2ccc([N+](=O)[O-])cc2)c(OC)c1 4685517 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2.572 5 50 DFBA CC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 252585263 HKLLXGFNNRXRIY-BHYVMKKASA-N 306.406 2.763 5 50 DFBA O=C(Nc1cc2ccccc2oc1=O)c1cccc([N+](=O)[O-])c1 253506 WDEOYWKTKSUYOC-UHFFFAOYSA-N 310.265 2.954 5 50 DFBA COc1ccc(Cl)cc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 1070510 GWQZWIKXMYWJAO-MRVPVSSYSA-N 324.724 2.653 5 50 DFBA Cc1ccc(S(=O)(=O)[C@H](C[N+](=O)[O-])c2cccs2)cc1 2325809459 OZEYDLSXRVZGPA-CYBMUJFWSA-N 311.384 2.848 5 50 DFBA Cn1nnc2cc(NC(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 470351 LOTLBEUXZIPEGU-UHFFFAOYSA-N 312.289 2.521 5 50 DFBA Cc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 435856 UEEDTKXZVQMZQD-UHFFFAOYSA-N 310.306 2.843 5 50 DFBA CCCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 2765045 KOMRUAOJNAEVHX-UHFFFAOYSA-N 309.366 2.664 5 50 DFBA Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)Nc1ccccc1F 2788191 GGMFEORPSNHJDG-VIFPVBQESA-N 306.297 2.514 5 50 DFBA O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 461522 VQCUNGSMDOOCFK-UHFFFAOYSA-N 310.375 2.764 5 50 DFBA O=C(NCCC1=CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4703171 DUKNFGFHYSJPPR-UHFFFAOYSA-N 317.345 2.540 5 50 DFBA COC(=O)c1ccccc1-c1c([N+](=O)[O-])cccc1[N+](=O)[O-] 6169730 GEYNUMMKTHTLTD-UHFFFAOYSA-N 302.242 2.957 5 50 DFBA O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1c[nH]c2ccccc12 2512844 VDKDMYMKUAGGHP-UHFFFAOYSA-N 323.352 2.978 5 50 DFBA O=C(c1cc([N+](=O)[O-])ccc1F)N1CCOC2(CCCCC2)C1 408515178 OQUFNQCAKGDFHI-UHFFFAOYSA-N 322.336 2.909 5 50 DFBA C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 166193005 WXVKNURWMZKPHR-YGRLFVJLSA-N 308.334 2.834 5 50 DFBA COc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 474768 JITQDFMZLGMEID-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA O=C(O)[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4724936 VIGYDMAWHBBEIT-RYUDHWBXSA-N 324.720 2.767 5 50 DFBA CC(C)(C)c1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 2764766 QUOICBYVJJBWBZ-UHFFFAOYSA-N 302.334 2.728 5 50 DFBA Cc1ccc(Cl)cc1NC(=O)Cn1nc([N+](=O)[O-])cc1C 1428832 YFJVIDHJQJQVKG-UHFFFAOYSA-N 308.725 2.700 5 50 DFBA COC(=O)c1sccc1NC(=O)c1ccc([N+](=O)[O-])cc1 369011 HEXDXYCKIBQNHB-UHFFFAOYSA-N 306.299 2.695 5 50 DFBA Cc1cccc(NC(=O)c2ccc(NCCO)c([N+](=O)[O-])c2)c1 4983850 RIFGGJFGMFCMRO-UHFFFAOYSA-N 315.329 2.560 5 50 DFBA CC(C)[C@H](Nc1ncc([N+](=O)[O-])s1)c1nnc2ccccn12 241171080 KEAHWVLCHKJQDT-NSHDSACASA-N 318.362 2.903 5 50 DFBA C[C@@H]1C[C@H](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 273144744 KUGASBDXLMPFTM-CHWSQXEVSA-N 321.377 2.599 5 50 DFBA CNc1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 316713 RZBBIGYYCRBQJY-UHFFFAOYSA-N 314.297 2.676 5 50 DFBA COc1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 466642 IBKRFVLTYACKDL-UHFFFAOYSA-N 300.314 2.842 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C(=O)OC(C)(C)C 163035652 WZXPUGBAYPVPCN-JTQLQIEISA-N 323.349 2.755 5 50 DFBA Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCO[C@H](C2CC2)C1 192488198 JWSAHBUWMKBSJX-JSGCOSHPSA-N 304.346 2.591 5 50 DFBA CC(=O)c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 35945 GGJIYFYVINOSOA-UHFFFAOYSA-N 315.281 2.782 5 50 DFBA COc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 453258 LJNHCSSTRYQCIX-UHFFFAOYSA-N 315.281 2.643 5 50 DFBA COC(=O)Oc1c([N+](=O)[O-])c(C)c(Cl)c(C)c1[N+](=O)[O-] 25539347 NQMXLZYZNBONTA-UHFFFAOYSA-N 304.642 2.918 5 50 DFBA O=[N+]([O-])c1cnc(Nc2cccc3nsnc23)c([N+](=O)[O-])c1 15684927 ABXVTBBJEWIKOB-UHFFFAOYSA-N 318.274 2.646 5 50 DFBA O=c1cc(O)c2c(=O)n(Cc3ccccc3)c3ccccc3c2o1 13571600 AJJYWRQCFZPYQY-UHFFFAOYSA-N 319.316 2.862 5 50 DFBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c1 4983953 XYAOAUHGDASCED-UHFFFAOYSA-N 315.329 2.560 5 50 DFBA Cc1nn(C)cc1-c1cc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[nH]1 2100638 OQOARZVBERCMIT-UHFFFAOYSA-N 301.262 2.693 5 50 DFBA COc1ccc(OC)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 103141 PWUAULSFHGRSAP-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA O=C(Nc1ccc2c3c(cccc13)CC2)c1n[nH]cc1[N+](=O)[O-] 136614646 UIRDHDVTILCCEJ-UHFFFAOYSA-N 308.297 2.822 5 50 DFBA O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c(Cl)cnn12 20605853 CBNXURXLKRLPSV-UHFFFAOYSA-N 318.676 2.656 5 50 DFBA Cc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n1 92258 BZUVUVOLQIMWDX-UHFFFAOYSA-N 301.302 2.624 5 50 DFBA COc1ccc(C(=O)NCc2ccccc2F)cc1[N+](=O)[O-] 91614 RTFVYVCJIACSRN-UHFFFAOYSA-N 304.277 2.673 5 50 DFBA CCOC(=O)c1sc(-c2cc([N+](=O)[O-])ccc2N)nc1C 219036106 ASHVHIIHZOANMU-UHFFFAOYSA-N 307.331 2.786 5 50 DFBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(OC)c1 35900083 YUEUGUFGMDLXNA-UHFFFAOYSA-N 318.285 2.570 5 50 DFBA Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 192488224 JWSAHBUWMKBSJX-GXTWGEPZSA-N 304.346 2.591 5 50 DFBA C[C@@H](c1ccncc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1O 120943858 CPAGVPZPAPIFPD-JTQLQIEISA-N 301.302 2.529 5 50 DFBA Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)cc1 188334 HIYPQMAXAYIODO-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 192488210 JWSAHBUWMKBSJX-TZMCWYRMSA-N 304.346 2.591 5 50 DFBA N[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 19300391 CTBPJQRKQDPECC-VIFPVBQESA-N 311.552 2.865 5 50 DFBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCO2 75323 URJMWMCWUAMRLU-UHFFFAOYSA-N 300.270 2.505 5 50 DFBA COc1cc(CC(=O)O)c([N+](=O)[O-])cc1OCc1ccccc1 3132380 MGONISJXUIQREH-UHFFFAOYSA-N 317.297 2.810 5 50 DFBA COc1ccc(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 4699547 CMSRHUHMEOMLKY-UHFFFAOYSA-N 315.281 2.606 5 50 DFBA COc1ccc(CCN(C)Cc2ccc([N+](=O)[O-])o2)cc1OC 23114720 XSBGUQLVVRYPMC-UHFFFAOYSA-N 320.345 2.880 5 50 DFBA CCn1cc([N+](=O)[O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)n1 4650823 NXXXKLBITLHCIY-UHFFFAOYSA-N 318.377 2.510 5 50 DFBA C[C@H](CCc1cccn1C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] 132425688 YTTRHWMAWBRIAW-LLVKDONJSA-N 319.336 2.824 5 50 DFBA Nc1c(Br)cc(OC(F)(F)F)cc1[N+](=O)[O-] 4245006 YIPBAKXAGVSSDF-UHFFFAOYSA-N 301.018 2.838 5 50 DFBA in-vitro Cc1ccc(NC(=O)c2ccccc2C(=O)O)c([N+](=O)[O-])c1 5101247 GUKQYFLAGCBUAT-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA O=[N+]([O-])c1c(F)cccc1N1CC[C@@H](OCc2ccncc2)C1 192900478 PXUYGHVEDXRBFR-CYBMUJFWSA-N 317.320 2.924 5 50 DFBA O=[N+]([O-])c1ccc(C2=NOc3cc([N+](=O)[O-])ccc3N2)cc1 3878805 DJXJGSPDIDJJAX-UHFFFAOYSA-N 300.230 2.669 5 50 DFBA CC(C)OC1CC(n2cc(Br)c([N+](=O)[O-])n2)C1 412992378 MARLYAFEYDRAGI-UHFFFAOYSA-N 304.144 2.682 5 50 DFBA CCOc1ccc([C@@H](C)N[C@H]2C[C@H]3CC[C@H]2O3)cc1[N+](=O)[O-] 110700632 SDQPJUKQBKKKCD-IKVITTDRSA-N 306.362 2.964 5 50 DFBA COCCNc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 5065270 BJDNLGADRLXMOV-UHFFFAOYSA-N 315.329 2.905 5 50 DFBA COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 210717 QVRYMECVJRSTFI-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA Cc1cc(O)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C 330863 ZZPGLZUQUBXXKW-UHFFFAOYSA-N 316.313 2.935 5 50 DFBA COc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 3832975 HQLUXDZMMKMBCL-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA CCCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=N)NC1=O 4755238 MHNHQFSLDKOTQB-XFFZJAGNSA-N 307.331 2.522 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1N1C(=N)C(=O)N(c2ccccc2)C1=O 4761792 QDWMJKHQNPEQEX-UHFFFAOYSA-N 324.296 2.854 5 50 DFBA Cc1nn(C[C@@H](C)C(=O)Nc2cccc(F)c2)c(C)c1[N+](=O)[O-] 2795454 DCKQJZQWDSOETR-SECBINFHSA-N 320.324 2.822 5 50 DFBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)c1ccccc1 124383 WZONOLANZOKWEL-UHFFFAOYSA-N 324.134 2.745 5 50 DFBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 239439168 ZNGVWFJIYHCABA-GYBADROVSA-N 318.716 2.560 5 50 DFBA C[N@+]12CCCC[C@@H]1[C@H](CN1C(=O)c3ccccc3C1=O)CCC2 248088504 UMWVQFMDELFMHV-AVBTWRTFSA-N 313.421 2.692 5 50 DFBA biogenic,in-vitro O=c1[nH]cccc1-c1c2cn[nH]c2nc2c1oc1cc(O)ccc12 218313031 IKMOSHBKMGITDL-UHFFFAOYSA-N 318.292 2.918 5 50 DFBA Cc1cc(OCCCN2C[C@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] 16247205 BZSBSMFOOFLYCY-OKILXGFUSA-N 308.378 2.781 5 50 DFBA COc1ccc(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4546985 HWZVUWFEDVZWKX-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA C[N@@+]12CCCC[C@@H]1[C@H](CN1C(=O)c3ccccc3C1=O)CCC2 252441416 UMWVQFMDELFMHV-OXTHUFEASA-N 313.421 2.692 5 50 DFBA biogenic COC(=O)c1ccc(CNCc2ccc(C)cc2)c([N+](=O)[O-])c1 32098823 YRANSWQWROMHIE-UHFFFAOYSA-N 314.341 2.980 5 50 DFBA COC(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] 272169 BLCONGFGKYXZLQ-UHFFFAOYSA-N 300.270 2.634 5 50 DFBA COc1cc2c(cc1OC)CN(Cc1ccc([N+](=O)[O-])o1)CC2 22591311 LDKAFBIUXBBVRI-UHFFFAOYSA-N 318.329 2.763 5 50 DFBA CC1(C)CC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC(C)(C)N1 4905877 KBEXXJIHLHSEIG-UHFFFAOYSA-N 319.405 2.563 5 50 DFBA Nc1nnc(SCc2c(Cl)cccc2[N+](=O)[O-])s1 96162 CKPVSUGMOJHCTK-UHFFFAOYSA-N 302.768 2.974 5 50 DFBA CSc1ccccc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 1423703 SQAABNLDRDHCKW-SECBINFHSA-N 306.347 2.713 5 50 DFBA C[C@H]1C[C@@H](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 273144752 KUGASBDXLMPFTM-STQMWFEESA-N 321.377 2.599 5 50 DFBA CC(=O)c1ccc(NCc2cn3c(n2)SCC3)c([N+](=O)[O-])c1 408514925 NPTZQSBKOVNHDU-UHFFFAOYSA-N 318.358 2.712 5 50 DFBA CC[C@H]1c2cccn2CCN1C(=O)c1cc([N+](=O)[O-])ccc1N 170605141 PITADUWQGSCQKF-AWEZNQCLSA-N 314.345 2.586 5 50 DFBA CCc1nccn1[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 193415364 MHAIRGINRFUBIA-ZDUSSCGKSA-N 315.377 2.777 5 50 DFBA C[C@H](C[C@@H]1CC(C)(C)OC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 4690013 YSZDGQFJCSOZLX-GHMZBOCLSA-N 320.345 2.901 5 50 DFBA O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1 35919 OKSGQGJCRGDHNG-UHFFFAOYSA-N 315.116 2.737 5 50 DFBA CC[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 421969593 PDVADKZVNOXTJH-CMPLNLGQSA-N 317.345 2.764 5 50 DFBA O=C(NCCCn1ccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 17056749 BGHSYAAEVRTCIT-UHFFFAOYSA-N 323.740 2.657 5 50 DFBA O=C(NC[C@@H]1OCCc2ccccc21)c1ccccc1[N+](=O)[O-] 181789 KDTQZJQXADWTAE-INIZCTEOSA-N 312.325 2.639 5 50 DFBA COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 254938 UDMUPWDSUJLZIY-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 55543456 JZPGKOUDIBJEAH-OAHLLOKOSA-N 319.405 2.675 5 50 DFBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCS[C@H]2CCCC[C@@H]21 119159590 OSOYSUSQTRFCFK-FZMZJTMJSA-N 322.386 2.801 5 50 DFBA O=[N+]([O-])c1ccsc1N1CCCN(c2ccccn2)CC1 1615539756 SRFSGPLFLXJZFU-UHFFFAOYSA-N 304.375 2.768 5 50 DFBA COc1cccc(C=O)c1OC(=O)c1ccccc1[N+](=O)[O-] 317828 IHHHXUSHIVOYTP-UHFFFAOYSA-N 301.254 2.635 5 50 DFBA O=C(OCc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 2534547 LJPOOKOFGIMPNU-UHFFFAOYSA-N 319.244 2.820 5 50 DFBA Nc1ccc([N+](=O)[O-])c(N2CC[C@@H](n3ncc4ccccc43)C2)c1 374585797 PTXOFVCTWFLCAA-CQSZACIVSA-N 323.356 2.978 5 50 DFBA O=[N+]([O-])c1c(F)cccc1NCc1cccnc1-n1cccn1 301550594 VEZDNWLUCKLGIM-UHFFFAOYSA-N 313.292 2.927 5 50 DFBA Cc1ccc(C(=O)O)cc1NC(=O)c1cccc([N+](=O)[O-])c1 434960 YVZHLKMENWFBAI-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@@H]1CCCCO1 163246807 OUAKNXWZMSLBKG-ZDUSSCGKSA-N 307.350 2.984 5 50 DFBA CCC[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4707041 XBFHQRPHUWLZKV-CYBMUJFWSA-N 305.378 2.680 5 50 DFBA Cc1ccc(NC(=O)[C@H](C)Cn2nc([N+](=O)[O-])cc2C)cc1F 2796196 BKFJDRZIXQALRX-SNVBAGLBSA-N 320.324 2.822 5 50 DFBA CN(C)C(=O)c1ccccc1OCc1cccc([N+](=O)[O-])c1 433732059 CSUOIGUXBJPEHX-UHFFFAOYSA-N 300.314 2.876 5 50 DFBA O=C(O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 138655 SUZVPDGSWGZWBU-UHFFFAOYSA-N 310.269 2.541 5 50 DFBA COc1ccc2oc3cc(OC)c(OC)c(OC)c3c(=O)c2c1 3782680 FYLQNKRJVPRLKX-UHFFFAOYSA-N 316.309 2.981 5 50 DFBA biogenic,in-vitro COc1cc(/C=C2\SC(=S)N=C2O)c(O)c([N+](=O)[O-])c1 96429646 NGEBAOCKDPCGCZ-BAQGIRSFSA-N 312.328 2.638 5 50 DFBA O=C(N[C@@H]1CCCc2sccc21)c1cnc(O)c([N+](=O)[O-])c1 194016471 CAFXYSIKIUZBGL-SNVBAGLBSA-N 319.342 2.564 5 50 DFBA O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1nccs1 613308 LMCJLNIAFSZYLL-UHFFFAOYSA-N 313.722 2.722 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CC(C)(C)O)C1CC1 188856269 XDUMQERZPQVPLL-UHFFFAOYSA-N 307.350 2.670 5 50 DFBA CC(C)C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C 5027823 YWVHFDQUGUPVQF-UHFFFAOYSA-N 300.380 2.554 5 50 DFBA O=[N+]([O-])c1ccc(-c2nc(NCCO)c3ccccc3n2)cc1 1774815 NNUHUZOPIHDAMY-UHFFFAOYSA-N 310.313 2.609 5 50 DFBA O=[N+]([O-])c1cccc2cc(I)cnc12 35570422 JTOBADNVHAZTAP-UHFFFAOYSA-N 300.055 2.748 5 50 DFBA in-vitro Cn1nc(C2CC2)nc1CSCc1cc(O)ccc1[N+](=O)[O-] 593200073 LRADWDLXLPKEHA-UHFFFAOYSA-N 320.374 2.740 5 50 DFBA COc1cccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 285461 SKODXKAXUXPQRQ-UHFFFAOYSA-N 315.281 2.643 5 50 DFBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 97638 VEQKOWNIUMVGLZ-UHFFFAOYSA-N 318.260 2.757 5 50 DFBA O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccccc1F 452735 LGUVNFFBVXQGKT-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cccc(F)c1 2884245 KAJLHBXJWIXIBA-UHFFFAOYSA-N 307.306 2.860 5 50 DFBA Cc1c(OCC(=O)N(C)C)ccc2c1oc(=O)c1ccccc12 83614 OLEWOFPNLGKENC-UHFFFAOYSA-N 311.337 2.722 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 4844677 QPBSIWPVMAYYPU-VXGBXAGGSA-N 320.732 2.925 5 50 DFBA CC[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br 281871410 UTNUIUFQQLROEH-RDDDGLTNSA-N 313.151 2.886 5 50 DFBA Nc1nc(-c2ccccc2O)nc2c1c(=O)oc1ccccc12 35032 PVDULHAXFLOYGT-UHFFFAOYSA-N 305.293 2.691 5 50 DFBA COc1ccccc1NC(=O)CC(=O)c1cccc([N+](=O)[O-])c1 225917 GXVZEBWLFFMKMY-UHFFFAOYSA-N 314.297 2.815 5 50 DFBA CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 284266 BUCSZBGRXQNNMQ-UHFFFAOYSA-N 322.342 2.794 5 50 DFBA O=C(Cc1ccccc1[N+](=O)[O-])NCCSCc1ccco1 2855535 LEWOKLDMMMQASB-UHFFFAOYSA-N 320.370 2.780 5 50 DFBA O=C(O)/C=C/C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 47977 URZIPQUZRRJBQQ-MDZDMXLPSA-N 312.281 2.841 5 50 DFBA Cc1ccc(-n2cnc(N)c2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 448393 USCKQBSSPUCSBM-UHFFFAOYSA-N 322.324 2.902 5 50 DFBA CN1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 4986221 AAKIEBZFPOJIQD-UHFFFAOYSA-N 301.346 2.602 5 50 DFBA CC(C)(C)OC(=O)N1CC(COc2ccccc2[N+](=O)[O-])C1 85476873 NTNADDPVWUPXPA-UHFFFAOYSA-N 308.334 2.841 5 50 DFBA in-vitro CCOC(=O)CSc1[nH]c2cc(OC)ccc2c1[N+](=O)[O-] 617874 UNDOHLXSGSKZHZ-UHFFFAOYSA-N 310.331 2.740 5 50 DFBA O=C(O)c1cc(-c2ccc(C(=O)O)c(F)c2)cc([N+](=O)[O-])c1 95495280 SVIKXSQWSVBQEK-UHFFFAOYSA-N 305.217 2.797 5 50 DFBA in-vitro COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 252998 KXPUEESUHBIRII-UHFFFAOYSA-N 300.314 2.842 5 50 DFBA biogenic Cc1cc(F)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 14224931 MEDDUKVCWLUKDB-UHFFFAOYSA-N 310.306 2.843 5 50 DFBA Cc1cc(NC[C@H](C)[S@@](C)=O)c2cc([N+](=O)[O-])ccc2n1 167396277 QTKFEFXNYUDKGZ-CWKPULSASA-N 307.375 2.630 5 50 DFBA CC[C@H](Nc1nc(N)nc(Cl)c1N)c1cccc([N+](=O)[O-])c1 1642518996 IEJMAUVFISYJIY-VIFPVBQESA-N 322.756 2.766 5 50 DFBA Cc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1[N+](=O)[O-] 4702160 ACHNOKPVJRROBN-UHFFFAOYSA-N 314.407 2.862 5 50 DFBA CC(=O)S[C@@H](C[N+](=O)[O-])c1cn(C(C)=O)c2ccccc12 481046 HUTFFQPOGUXDQI-AWEZNQCLSA-N 306.343 2.899 5 50 DFBA aggregator N=C1NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 4952620 MAUWQVGFDLYFMO-KPKJPENVSA-N 315.310 2.993 5 50 DFBA O=[N+]([O-])c1ccc(CS(=O)(=O)C(Cl)(Cl)Cl)cc1 45069259 MIHZYBSIFQUIEI-UHFFFAOYSA-N 318.565 2.837 5 50 DFBA O=[N+]([O-])c1ccc(C[N@@+]23CCCC[C@@H]2[C@H](CO)CCC3)cc1 253389775 CGXROTBVPVPDTR-WDYCEAGBSA-N 305.398 2.866 5 50 DFBA biogenic Cc1cc([N+](=O)[O-])nn1CC(=O)Oc1ccc2ccccc2c1 4745598 FTNAVOCRKRCUET-UHFFFAOYSA-N 311.297 2.859 5 50 DFBA Cc1nn(CC(=O)Nc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] 325713 ZLJIXTXBVMQXMC-UHFFFAOYSA-N 308.725 2.700 5 50 DFBA CC(=O)Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 2205875 XZJQUWHQKDUZON-UHFFFAOYSA-N 310.360 2.697 5 50 DFBA O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1O 123929344 YSFFDABOZWRXPW-NSHDSACASA-N 320.345 2.522 5 50 DFBA COC(=O)c1sccc1NC(=O)c1cccc([N+](=O)[O-])c1 475341 DVDRTHZMILILQJ-UHFFFAOYSA-N 306.299 2.695 5 50 DFBA CC1(C)C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)CCO1 160470498 JJSZYPJWPXCEDU-SECBINFHSA-N 312.753 2.936 5 50 DFBA Cc1ccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1[N+](=O)[O-] 95496417 PFVMRCJKUNJOLH-SUHUHFCYSA-N 300.314 2.605 5 50 DFBA CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C 242324398 ZAZZYDDPKKWKEV-OPRDCNLKSA-N 322.390 2.554 5 50 DFBA CS[C@@H]1CCC[C@H]1N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 221949463 VIGZCXGIFZTHTL-RBSFLKMASA-N 310.419 2.844 5 50 DFBA O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2cc3c(cc2N1)OCO3 95023 TVXUVYGQVVDYDM-JTQLQIEISA-N 312.281 2.798 5 50 DFBA CC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 434525 ORKWUVISZHGMQW-UHFFFAOYSA-N 317.276 2.945 5 50 DFBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1cccnc1 1172193 XSZXWEFSPSPWQJ-UHFFFAOYSA-N 317.370 2.539 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCOC(C)(C)C1 162490088 LIOFEBNSQGOULV-LLVKDONJSA-N 307.350 2.982 5 50 DFBA Cc1nc(N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] 408513159 NMWPOAXAHOKXHO-GASCZTMLSA-N 324.384 2.871 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1COc2ccccc2O1 520149 RSIIFADYEOCANA-HNNXBMFYSA-N 314.297 2.682 5 50 DFBA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 4611148 HDYCIXJWEQDFJI-LBPRGKRZSA-N 312.391 2.856 5 50 DFBA COC(=O)c1ccc(Oc2ccccc2C=O)c([N+](=O)[O-])c1 14007563 FNRLYNOJRFASRB-UHFFFAOYSA-N 301.254 2.986 5 50 DFBA COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)NCC2 19300545 GGNIBPFRNLQZGV-KRWDZBQOSA-N 314.341 2.847 5 50 DFBA O=C(O)/C(=C\c1ccc([N+](=O)[O-])s1)NC(=O)c1ccccc1 335794 RCAUPMFNUKOWRC-DHZHZOJOSA-N 318.310 2.512 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(C)c1 38889 KZBYGNWOVGRPGO-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA O=C(CC(=O)c1ccccc1F)Nc1ccc([N+](=O)[O-])cc1 4582759 HAABUNUESYDQSK-UHFFFAOYSA-N 302.261 2.945 5 50 DFBA Cc1ccc(F)c(NC(=O)[C@@H](C)Cn2cc([N+](=O)[O-])cn2)c1 2795672 IRVSAPZIBPYGJE-JTQLQIEISA-N 306.297 2.514 5 50 DFBA O=C(O)c1cc(Br)c(Br)cc1[N+](=O)[O-] 4529802 RZPONWOLLSMIKL-UHFFFAOYSA-N 324.912 2.818 5 50 DFBA CN(C)c1ncnc2c1NCc1cc([N+](=O)[O-])ccc1S2 604419326 STXSMEDIYAEZQV-UHFFFAOYSA-N 303.347 2.528 5 50 DFBA CCc1cnc(CNC(=O)c2c([N+](=O)[O-])ccc(F)c2C)o1 585089737 AZUBCOLHWQCYQD-UHFFFAOYSA-N 307.281 2.523 5 50 DFBA CC(C)(C)OC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 76925971 DUTLKLPXMPHUMV-UHFFFAOYSA-N 307.350 2.652 5 50 DFBA CC[C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1C 170599719 SGGZGANKLFHUDH-CHWSQXEVSA-N 305.378 2.962 5 50 DFBA O=C1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C2(CCCCC2)O1 110186 DJTRUUZNHVGYNS-ZDUSSCGKSA-N 318.329 2.799 5 50 DFBA CC1=C(C)C[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 15240188 DPEVIVVOLWLMJM-KBPBESRZSA-N 300.314 2.831 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252504686 CPUMGJMLHVPDGN-IACUBPJLSA-N 319.361 2.838 5 50 DFBA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] 245226850 OJTCDNPDVDMLQF-QHSBEEBCSA-N 324.336 2.605 5 50 DFBA O=C(c1ccc([N+](=O)[O-])cc1)c1nc2c(n1O)CCCCC2 1152825 PSTPPXYVCXUGQG-UHFFFAOYSA-N 301.302 2.529 5 50 DFBA COc1ccc(CCNCc2ccccc2[N+](=O)[O-])cc1OC 19841324 QHVXUDZTWFULDI-UHFFFAOYSA-N 316.357 2.944 5 50 DFBA COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 123979 ZAGSYTZNGOZZAC-UHFFFAOYSA-N 302.286 2.621 5 50 DFBA COC(=O)c1ccc(COC(=O)c2ccccc2[N+](=O)[O-])cc1 471811 HINCVDDNPRBUIR-UHFFFAOYSA-N 315.281 2.738 5 50 DFBA CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 242324397 ZAZZYDDPKKWKEV-IVZWLZJFSA-N 322.390 2.554 5 50 DFBA CC(C)c1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1 4223062 HEBONQRXDWTYBH-VMPITWQZSA-N 301.302 2.678 5 50 DFBA CC[C@H]1CCCCN1C(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C 196071 ITIGKKSMCMUWRE-JTQLQIEISA-N 314.773 2.544 5 50 DFBA O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc([N+](=O)[O-])o1 2861249 ULHRZUHGOHGNER-UHFFFAOYSA-N 300.226 2.547 5 50 DFBA O=[N+]([O-])c1c(N2CCCC[C@@H]2c2ncc[nH]2)nc2ccccn12 225452364 AJXSIZBJEYVPOZ-LLVKDONJSA-N 312.333 2.697 5 50 DFBA O=C(CSc1ccc(O)cc1)NCc1ccc([N+](=O)[O-])cc1 130876378 WQUVHCNDSMZRQV-UHFFFAOYSA-N 318.354 2.709 5 50 DFBA C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCCCF)C1=O 241775924 RQFCCCRZMXOEKU-HNNXBMFYSA-N 323.324 2.502 5 50 DFBA CC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1782103 RVOCVQIHHGGTLS-NSHDSACASA-N 307.306 2.908 5 50 DFBA CO[C@@]1(C)CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 253430663 NDJOXPRERHJJSG-INIZCTEOSA-N 321.377 2.517 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(CCOC2)C1 162669111 NMLMNESJLGLIKQ-OAHLLOKOSA-N 305.334 2.548 5 50 DFBA C[C@H](c1cccnc1)N(C)C(=O)c1ccc(O)c([N+](=O)[O-])c1 164414098 DIFVETQLHSMSDV-SNVBAGLBSA-N 301.302 2.529 5 50 DFBA COc1ccc(OC)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 436755 LLLJQJNVGMUARH-UHFFFAOYSA-N 316.313 2.793 5 50 DFBA COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 4844607 CESUUPIZASRWTD-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA Cc1ccc([N+](=O)[O-])c(OCCCN2C[C@H](C)O[C@@H](C)C2)c1 20639538 CUTMLJMVVWGTLF-KBPBESRZSA-N 308.378 2.781 5 50 DFBA O=C(CSc1ncccc1C(=O)O)c1cccc([N+](=O)[O-])c1 179408 NLLVFBUITXSIQT-UHFFFAOYSA-N 318.310 2.663 5 50 DFBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C(F)(F)F)cc1 6668616 AQOMTJVHSXWNQO-UHFFFAOYSA-N 314.223 2.599 5 50 DFBA O=C(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1C(=O)O 135846 USFYQEDSCKKGPH-UHFFFAOYSA-N 303.226 2.784 5 50 DFBA COc1ccc(C)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 145208 FPLCCNQAIBTYLS-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA CC1(C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@H]21 230149514 UBDWHRPPAKTWTH-MGPQQGTHSA-N 319.361 2.920 5 50 DFBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2 461201 VYYRJRNEADYZKS-UHFFFAOYSA-N 300.270 2.505 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Cl)c(C)nn1C 2767412 DWZAVSXORXLPHH-UHFFFAOYSA-N 324.724 2.551 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCOC(C)(C)C1 162490219 LIOFEBNSQGOULV-NSHDSACASA-N 307.350 2.982 5 50 DFBA CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H](C)c1cccnc1 170605072 WDSMWHNBPSTQTN-LLVKDONJSA-N 314.345 2.795 5 50 DFBA Cc1ccc(C(=O)OCc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 2534533 GQBIHDORYWWIHV-UHFFFAOYSA-N 315.281 2.989 5 50 DFBA O=Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2)CC1 5325294 SPHZHATWHLQSBK-UHFFFAOYSA-N 311.341 2.734 5 50 DFBA COc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 470370 GLPCRTYZDTZCDS-UHFFFAOYSA-N 303.270 2.588 5 50 DFBA CN(C)c1cc(NCc2ccccc2)c([N+](=O)[O-])c2nonc12 4020623 IZLVQFNBVHPCSB-UHFFFAOYSA-N 313.317 2.809 5 50 DFBA CCc1[nH]nc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] 192891392 DEKHJUXAVCCMSH-UMNHJUIQSA-N 306.366 2.531 5 50 DFBA CSC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 292568341 ZTMIYZHKYVHXCQ-WFASDCNBSA-N 310.419 2.703 5 50 DFBA COc1ccccc1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 184165 CZDVAMPYBSTBKB-MDZDMXLPSA-N 312.325 2.933 5 50 DFBA biogenic COc1ccc(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1 270614 JTJRSRZUCHKUIY-UHFFFAOYSA-N 315.281 2.643 5 50 DFBA CCc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 35867458 PCHSDVFDQLQBDM-UHFFFAOYSA-N 316.313 2.880 5 50 DFBA COc1cc(C(=O)Nc2cc(C)ccn2)c([N+](=O)[O-])cc1OC 1189017 XEUGXLRHMCYTDW-UHFFFAOYSA-N 317.301 2.568 5 50 DFBA Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)NC1CCCCCC1 2787730 ZLMOUQUKDBAFBT-NSHDSACASA-N 308.382 2.575 5 50 DFBA Nc1ccccc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 5064178 NIFYZAJUTPSNOO-UHFFFAOYSA-N 303.343 2.908 5 50 DFBA CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCO 5958532 QYFGBIBBYGFKBS-UHFFFAOYSA-N 310.353 2.969 5 50 DFBA O=[N+]([O-])c1c(F)cccc1N1CCCN(c2ccccn2)CC1 240871464 IKSXAONRWKPSBN-UHFFFAOYSA-N 316.336 2.846 5 50 DFBA Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(Cl)c1O 181266171 FEUFNPQSMWIPJD-UHFFFAOYSA-N 307.693 2.788 5 50 DFBA COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 101382 VEMZDWGACUJARE-UHFFFAOYSA-N 316.313 2.793 5 50 DFBA COc1cc(NC(=O)COc2ccccc2C)cc([N+](=O)[O-])c1 62703 CIFZZBCWRDRSKG-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA CC(C)n1ncc2c1C[C@H](Nc1ncc([N+](=O)[O-])s1)CC2 253394968 IMDZULHSAFTUKW-SNVBAGLBSA-N 307.379 2.798 5 50 DFBA Cc1cc(N2C[C@H](O)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] 384929480 HAOXIAPBKGNYAH-DTWKUNHWSA-N 315.167 2.625 5 50 DFBA CCCCCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 3996079 PKPJESZAXREPGQ-UHFFFAOYSA-N 300.380 2.762 5 50 DFBA O=[N+]([O-])c1ccc(O)cc1CN1CCN(c2ccccc2)CC1 4639246 PPJSSEWXZJRLLD-UHFFFAOYSA-N 313.357 2.623 5 50 DFBA CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)[C@@]12CCCO2 273437767 AOUCAIVOXFBSPO-OAGGEKHMSA-N 322.361 2.742 5 50 DFBA CC(C)(C)c1ccc([C@H](O)CNc2ncc([N+](=O)[O-])cn2)cc1 273581774 FUJQWNHIWYXDBE-CQSZACIVSA-N 316.361 2.828 5 50 DFBA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4010558 RJJLEJMQURANEC-SECBINFHSA-N 318.782 2.811 5 50 DFBA C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 3896367 WARJEQFOTAACKB-NFAWXSAZSA-N 308.378 2.597 5 50 DFBA COc1cccc(N2CCC[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] 185351514 LXIBTMHPYNCABA-GFCCVEGCSA-N 302.334 2.678 5 50 DFBA C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 7308896 NQLJUEXAJAQYFK-SECBINFHSA-N 312.372 2.696 5 50 DFBA CCC1(CC)[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1OC 151045850 ZVCWORXDBSWQQF-KBPBESRZSA-N 322.361 2.624 5 50 DFBA O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2c(F)cc(F)cc21 170611643 RJWVTVKPCZJFER-UHFFFAOYSA-N 320.251 2.782 5 50 DFBA COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)NCC2 19300546 GGNIBPFRNLQZGV-QGZVFWFLSA-N 314.341 2.847 5 50 DFBA Cc1ccccc1C[C@@H](CO)CNc1ncc([N+](=O)[O-])s1 253428852 BOKYWEMFZAMESO-LLVKDONJSA-N 307.375 2.623 5 50 DFBA O=C(CSc1ccc([N+](=O)[O-])cn1)N1CCc2ccccc21 807492 KBDADKBYZWPCAH-UHFFFAOYSA-N 315.354 2.671 5 50 DFBA Cc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] 128415606 QMPMETSOPJWCKG-AWEZNQCLSA-N 300.362 2.626 5 50 DFBA O=[N+]([O-])c1cccnc1N1CCC[C@@](CO)(c2ccccc2)C1 240551587 GUUOXDYVNIGCLU-QGZVFWFLSA-N 313.357 2.520 5 50 DFBA Cc1ccc(S(=O)(=O)CC(=O)c2ccccc2[N+](=O)[O-])cc1 1117111 HXXULUUICRGFHW-UHFFFAOYSA-N 319.338 2.560 5 50 DFBA COC(=O)c1ccc(OC(=O)Nc2ccccc2[N+](=O)[O-])cc1 4800028 VIAUOGJCBVWOJQ-UHFFFAOYSA-N 316.269 2.992 5 50 DFBA O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 447983 UQWQVWNNMGDXQA-CQSZACIVSA-N 304.327 2.962 5 50 DFBA O=C(O)c1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 3879035 TVTWCIQTDFRIBH-UHFFFAOYSA-N 300.230 2.573 5 50 DFBA O=[N+]([O-])c1cc(F)c(N2CCCCCC2)cc1N1CCNCC1 4571284 NMUJONASFBFSLI-UHFFFAOYSA-N 322.384 2.524 5 50 DFBA CCOc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccccc2C1=O 59451120 DHMIRCIBPRTIDM-UHFFFAOYSA-N 312.281 2.794 5 50 DFBA in-vitro Cc1nc(C[C@H]2CCCN(c3cccc(F)c3[N+](=O)[O-])C2)no1 253393330 USXPJEGVZBYLET-LLVKDONJSA-N 320.324 2.884 5 50 DFBA C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2ncccc2[N+](=O)[O-])C1 253426410 OEJDBCAIJIXZJF-CXTNEJHOSA-N 305.378 2.756 5 50 DFBA Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCOC(C)(C)C1 319119789 HYKAXJUSPRTPJZ-JTQLQIEISA-N 310.325 2.730 5 50 DFBA CC(=O)c1ccc(NCc2cn(C(C)C)nn2)c([N+](=O)[O-])c1 408518515 LMEMKQREHBWYII-UHFFFAOYSA-N 303.322 2.582 5 50 DFBA O=C(O)c1cccc(Nc2ccc([N+](=O)[O-])c3nonc23)c1 4894760 BQPJEGXWPAKZPN-UHFFFAOYSA-N 300.230 2.573 5 50 DFBA O=[N+]([O-])c1cc(F)c(N2CCCCCC2)cc1N1CCOCC1 4137909 NSJXMZJAXPZXAH-UHFFFAOYSA-N 323.368 2.951 5 50 DFBA NC(=O)c1cc(Cl)ccc1NCc1cccc([N+](=O)[O-])c1 360378347 QGDVEHAMODKIIR-UHFFFAOYSA-N 305.721 2.959 5 50 DFBA C[C@H](C(=O)Nc1nc2ccccc2s1)n1cc([N+](=O)[O-])cn1 1423686 NHCXHRYOCXCOCQ-MRVPVSSYSA-N 317.330 2.601 5 50 DFBA O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 3932157 QYBHTSGICZSSPB-UHFFFAOYSA-N 312.325 2.662 5 50 DFBA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 55543275 MAEYICWRXFDJBR-OAHLLOKOSA-N 319.405 2.675 5 50 DFBA CC[C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1C 252586748 SGGZGANKLFHUDH-QWHCGFSZSA-N 305.378 2.962 5 50 DFBA C/C=C1\C[N@@+]2(C)CC[C@]34c5ccccc5N[C@H]3[C@@H](CO)[C@H]1C[C@H]42 252461221 LKZQOCJBJKPRFV-NSZDCKNISA-N 311.449 2.526 5 50 DFBA biogenic CCc1nn(C)c(CC)c1CNc1nccc(C)c1[N+](=O)[O-] 269966934 NKMDZSXXSVGOSQ-UHFFFAOYSA-N 303.366 2.769 5 50 DFBA COc1ccc(CNCc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 19720342 JWVHJNPNQVWKBX-UHFFFAOYSA-N 316.313 2.622 5 50 DFBA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cccc([N+](=O)[O-])c1 2381563 VSSDZTCJXHBUGF-NSHDSACASA-N 310.306 2.635 5 50 DFBA in-vitro O=[N+]([O-])c1cc(NS(=O)(=O)Cc2ccccc2)ccc1F 255687 ZQQWIZXQTBXFJL-UHFFFAOYSA-N 310.306 2.676 5 50 DFBA Cc1ccnc(NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])c1 6391769 CMBMOSOORWNCJN-NSHDSACASA-N 301.302 2.704 5 50 DFBA Cc1cc(N2CCC[C@@H](n3ccnc3C)C2)ncc1[N+](=O)[O-] 610430942 KLBFVLHPFOATMX-CYBMUJFWSA-N 301.350 2.645 5 50 DFBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 239306122 GLNDITBXXHRKJS-GYBADROVSA-N 318.716 2.560 5 50 DFBA C/C=C1/C[N@+]2(C)CC[C@]34c5ccccc5N[C@H]3[C@H](CO)[C@H]1C[C@H]42 253487524 LKZQOCJBJKPRFV-YWYMQOAGSA-N 311.449 2.526 5 50 DFBA COc1ccc([N+](=O)[O-])c(NCCNC(=O)OC(C)(C)C)c1 114791752 YAFKZLBBICKMLL-UHFFFAOYSA-N 311.338 2.540 5 50 DFBA COc1ccc(CNc2cnc3[nH]nc(C)c3c2)cc1[N+](=O)[O-] 170604588 QNTHRKWDINSMAX-UHFFFAOYSA-N 313.317 2.795 5 50 DFBA Cc1cc(C)nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 4714403 NDPUPKIRSGSWIX-UHFFFAOYSA-N 318.358 2.732 5 50 DFBA CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1(C)C 119103369 GSEYNALJPIPKPN-CZUORRHYSA-N 322.361 2.576 5 50 DFBA Cc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1[N+](=O)[O-] 315802 BNJZTGCYVCUXKB-UHFFFAOYSA-N 319.405 2.942 5 50 DFBA Cc1nnc(Sc2ccc3nsnc3c2[N+](=O)[O-])s1 2866296 BDCHGVFJDUGZBN-UHFFFAOYSA-N 311.373 2.911 5 50 DFBA CC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1C 431984 UHKXKQOGCYNBMN-UHFFFAOYSA-N 305.315 2.815 5 50 DFBA CC(=O)Nc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 4537879 TUIVQEWDJKNEGN-UHFFFAOYSA-N 313.273 2.833 5 50 DFBA Cc1c(C(=O)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] 259003 CIWCROPMXVOIPE-UHFFFAOYSA-N 300.270 2.884 5 50 DFBA COc1cccc(CN(C)C(=O)c2c(C)cccc2[N+](=O)[O-])n1 192619339 MVGUFFNWFVGIAM-UHFFFAOYSA-N 315.329 2.579 5 50 DFBA Cc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 1078498 SVQJUIMQJOUBMQ-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA Nc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 3912556 BRWHGDPUXCJJIA-UHFFFAOYSA-N 315.211 2.609 5 50 DFBA O=[N+]([O-])c1ccc(CN2CC[C@H](n3cc(C4CC4)nn3)C2)cc1 585133555 LXBNCPGOSFPNIV-HNNXBMFYSA-N 313.361 2.511 5 50 DFBA C[C@H]1C[C@@H](C)CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 12417491 GQFHJIKDAWTYQF-AOOOYVTPSA-N 307.306 2.621 5 50 DFBA Cc1cc(C)n(CC(=O)Nc2cccc([N+](=O)[O-])c2Cl)n1 225796134 JEPHYJBVASYDIW-UHFFFAOYSA-N 308.725 2.700 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2cnc[nH]2)CC1 328587797 IDDYFFAHFRPZDW-UHFFFAOYSA-N 314.345 2.646 5 50 DFBA CCC1(CO)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 163241740 YNWUYAYAPSBECV-UHFFFAOYSA-N 321.377 2.920 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 304416 KBKMPLITWKKHRG-UHFFFAOYSA-N 310.306 2.843 5 50 DFBA CCC[C@H](C)N1Cc2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 241837490 SKNUYERSJJXHNK-NORZTCDRSA-N 317.389 2.795 5 50 DFBA CC(C)c1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 475432 GREMSRSBFWREKV-UHFFFAOYSA-N 306.347 2.751 5 50 DFBA CC[C@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 421969611 PGOHSKFILVQHST-QWRGUYRKSA-N 317.345 2.764 5 50 DFBA O=C(O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 5024127 WDCNJBCDENQSBI-CQSZACIVSA-N 314.297 2.541 5 50 DFBA O=C(O)c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1C(=O)O 286232 VUDXTDPDLUQWOZ-UHFFFAOYSA-N 303.226 2.784 5 50 DFBA CCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1[N+](=O)[O-] 444438 MAGPNWKVRVAFQH-UHFFFAOYSA-N 301.302 2.949 5 50 DFBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN2CC[C@H]1C2 408523702 UVOUAWSUQZWVNQ-JTQLQIEISA-N 301.268 2.508 5 50 DFBA O=C(Cc1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 5736349 GLLWDOWGEBJNBJ-UHFFFAOYSA-N 314.297 2.547 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(F)cc1 860116 VCUGCMQTUYCANH-UHFFFAOYSA-N 304.277 2.924 5 50 DFBA O=[N+]([O-])c1cccc(CN2CCN(Cc3ccco3)CC2)c1 169394 IBMIEFGZLDSKLM-UHFFFAOYSA-N 301.346 2.506 5 50 DFBA CCn1c(=O)c([N+](=O)[O-])c(N2CCCCC2)c2ccccc21 4679692 YJNZKENWROEKMY-UHFFFAOYSA-N 301.346 2.920 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1ccccc1 4797201 BNJHLHKFIQWJGG-UHFFFAOYSA-N 315.329 2.968 5 50 DFBA Cc1nnc2n1-c1ccc([N+](=O)[O-])cc1C(c1ccccc1)=NC2 59865889 OYRPNABWTHDOFK-UHFFFAOYSA-N 319.324 2.835 5 50 DFBA Nc1ccc(CNc2ccc([N+](=O)[O-])cc2Br)cn1 241657650 PYCZBNOVAZYLDV-UHFFFAOYSA-N 323.150 2.947 5 50 DFBA Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCOC(C)(C)C1 585089739 DHAMQPDZOYJXGG-SNVBAGLBSA-N 310.325 2.730 5 50 DFBA CC(C)(C)OC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19850918 HWTWAJBOXCYPAM-UHFFFAOYSA-N 321.377 2.648 5 50 DFBA in-vitro O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCO[C@@H]2CCC[C@@H]21 1616037164 GLHVDBHOHWBJIR-GXTWGEPZSA-N 324.764 2.571 5 50 DFBA C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 124835 ZHYXXNPABNYAJK-NSHDSACASA-N 306.343 2.634 5 50 DFBA Cc1ccc(S(=O)(=O)[N@]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2038855840 KBNDEGGNKFKUEN-JKSUJKDBSA-N 318.354 2.649 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 100932642 QPBSIWPVMAYYPU-NEPJUHHUSA-N 320.732 2.925 5 50 DFBA O=c1oc2ccc(Cl)cc2c(=O)n1-c1cccc([N+](=O)[O-])c1 2842933 DBVAWKQNGBZNNY-UHFFFAOYSA-N 318.672 2.506 5 50 DFBA CC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 299256 FJCHJVHCAAKPMV-UHFFFAOYSA-N 300.270 2.772 5 50 DFBA CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4649270 RZNGRSIQPOUALD-UHFFFAOYSA-N 311.769 2.553 5 50 DFBA O=[N+]([O-])c1ccc(CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 101673289 PGHIRDZUMYBGEF-XYJFISCASA-N 315.417 2.901 5 50 DFBA O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1C[N+]2([O-])CCC1CC2 44964062 IQQIWUDYGYXXEA-BGAFOXLKSA-N 312.413 2.669 5 50 DFBA in-vitro C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]2CC[C@H]1C2 251676873 VLEVDZHFFDLMAQ-OXJKWZBOSA-N 324.402 2.698 5 50 DFBA O=[N+]([O-])c1cnc(N(Cc2cccc(O)c2)CC2CC2)nc1 302245116 ZSTVSNDICAVPAT-UHFFFAOYSA-N 300.318 2.507 5 50 DFBA COC(=O)c1ccc([N+](=O)[O-])c(OC(=O)c2ccccc2F)c1 41661 ZHVLNXXHEBJVBW-UHFFFAOYSA-N 319.244 2.740 5 50 DFBA O=[N+]([O-])c1c(N2CCC[C@H](c3nc[nH]n3)C2)ccc2ncccc12 374034723 SRXHIGPSVNZFNN-NSHDSACASA-N 324.344 2.645 5 50 DFBA O=[N+]([O-])c1cnc(N(C[C@H](O)c2ccc(F)cc2)C2CC2)s1 408515734 KQCBRAMOZXHMNV-LBPRGKRZSA-N 323.349 2.893 5 50 DFBA Cc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 1385516 NOOMWTUYXIZYTF-UHFFFAOYSA-N 323.312 2.736 5 50 DFBA COc1ccc(C=O)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C 2573197 DDRARNXKFVIMTO-UHFFFAOYSA-N 309.709 2.623 5 50 DFBA CO[C@H]1CCN(c2c(Br)cccc2[N+](=O)[O-])C1 585097950 DIKNUBHZMPBREJ-QMMMGPOBSA-N 301.140 2.582 5 50 DFBA COc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4978612 WGKRSAYSEQRTLR-UHFFFAOYSA-N 301.302 2.925 5 50 DFBA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 151045813 ZVCWORXDBSWQQF-KGLIPLIRSA-N 322.361 2.624 5 50 DFBA Cn1cnc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc21 71767168 IPXZCJUHJXKBAD-UHFFFAOYSA-N 301.331 2.564 5 50 DFBA CCCC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1C 4949481 CKPWDMOJRFTPPW-LBPRGKRZSA-N 323.368 2.880 5 50 DFBA CCCO[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 157854173 PFQXSJBNOQFTLZ-ZDUSSCGKSA-N 322.361 2.722 5 50 DFBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)OC[C@@H]1CCCO1 2155889 USXUCIDBHJDDQF-VIFPVBQESA-N 300.698 2.976 5 50 DFBA Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)O)c1 289545 WMIINHAZQPGWSJ-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA Cn1cc(C[C@H]2CCC[C@H]2Nc2ccc([N+](=O)[O-])cn2)cn1 585098828 FLJJOYNZNNTIGO-TZMCWYRMSA-N 301.350 2.547 5 50 DFBA CCN1CCN(CCCCOc2ccc([N+](=O)[O-])c(C)c2)CC1 5065500 YISXMXKXJFDKKH-UHFFFAOYSA-N 321.421 2.700 5 50 DFBA CCCN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O 15010482 YHFGZCAQCJWQJG-XFFZJAGNSA-N 308.315 2.747 5 50 DFBA O=[N+]([O-])c1cccc(CN2CCN(Cc3ccccc3)CC2)c1 4990295 ZAFBIUJSHGBDGC-UHFFFAOYSA-N 311.385 2.913 5 50 DFBA Cc1cc(NC[C@@H](C)[S@](C)=O)c2cc([N+](=O)[O-])ccc2n1 167395964 QTKFEFXNYUDKGZ-LADRHHBVSA-N 307.375 2.630 5 50 DFBA O=[N+]([O-])c1cc(F)c(N[C@@H](CO)CC(F)(F)F)c(F)c1 339697985 OBAVPTSSQGFCLG-RXMQYKEDSA-N 300.183 2.598 5 50 DFBA O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)nc1 170604708 YTTDACWASHEBDX-UHFFFAOYSA-N 324.296 2.533 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C)cc1 5092423 DJUZECJALFFDQR-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA COc1ccc(C=O)cc1OC(=O)c1ccccc1[N+](=O)[O-] 317396 ATRLHNXCQADCKB-UHFFFAOYSA-N 301.254 2.635 5 50 DFBA Cc1cc(N[C@H]2CC[C@H](CN)C2)c2cccc([N+](=O)[O-])c2n1 420265653 FBGBKYJJSBFDBG-RYUDHWBXSA-N 300.362 2.991 5 50 DFBA O=[N+]([O-])c1cnc(N2CC[C@@H](n3ncc4ccccc43)C2)s1 253395656 ZINALRLJBIISLP-LLVKDONJSA-N 315.358 2.852 5 50 DFBA CCO[C@@H](CC)CNc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12 15659204 KKCKEUGMWCFQTA-NSHDSACASA-N 319.361 2.674 5 50 DFBA O=[N+]([O-])c1cccc2c1O[C@@]1(N3CCOCC3)CCCCC1=C2 19782155 DKAIYVQMFVYUHQ-KRWDZBQOSA-N 316.357 2.973 5 50 DFBA COc1cccc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)c1 351286 VODAKPXUNSCKPX-UHFFFAOYSA-N 314.297 2.815 5 50 DFBA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 4611147 HDYCIXJWEQDFJI-GFCCVEGCSA-N 312.391 2.856 5 50 DFBA O=C(N1C[C@H]2C[C@@H](C1)c1cc([N+](=O)[O-])ccc12)C(F)(F)F 149676021 QIRWLPNFDZWWIS-SFYZADRCSA-N 300.236 2.570 5 50 DFBA Cc1cc(=O)[nH]c(SCCCOc2ccc([N+](=O)[O-])cc2)n1 8752962 XDZZNQRNWFPIMH-UHFFFAOYSA-N 321.358 2.548 5 50 DFBA Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C(=O)O)cc1[N+](=O)[O-] 225404312 PPITVMRUTRQGLN-RNCFNFMXSA-N 321.333 2.620 5 50 DFBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2snnc2c1 312930 MBJXONHVGQZRPW-UHFFFAOYSA-N 300.299 2.852 5 50 DFBA O=C(Cc1ccccc1)NC(=S)Nc1cccc([N+](=O)[O-])c1 457250 QXINBNURJDPRDI-UHFFFAOYSA-N 315.354 2.651 5 50 DFBA COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 102485 WZMJVNVCCIYBBL-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA CCC(CC)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4700898 JHHMREOUQZWGPN-UHFFFAOYSA-N 305.378 2.680 5 50 DFBA COc1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1 168547 ZRFABRRRDOIORY-UHFFFAOYSA-N 300.314 2.576 5 50 DFBA biogenic O=C(Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2oc1=O 4188026 JIPWISGFIWQSDT-UHFFFAOYSA-N 310.265 2.954 5 50 DFBA CN(C)c1cccc(CNc2ncc(Cl)cc2[N+](=O)[O-])n1 301866927 VNXXOBCFUOPWMG-UHFFFAOYSA-N 307.741 2.716 5 50 DFBA CCCC(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 456730 DTSKINWRNDREPT-UHFFFAOYSA-N 301.755 2.861 5 50 DFBA CC(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)cs1 170605038 QGFWVBCCTKDIIV-UHFFFAOYSA-N 320.374 2.687 5 50 DFBA O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 326688 SKPUUWBLSOELPA-UHFFFAOYSA-N 312.391 2.986 5 50 DFBA C[C@@H]1CN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CCCO1 408518533 MJCHKBYMUAJTIO-SECBINFHSA-N 322.752 2.807 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1C(=O)O 4644633 DZVDPBGOKSKDAU-UHFFFAOYSA-N 316.269 2.554 5 50 DFBA CO[C@]1(C)CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 253430672 NDJOXPRERHJJSG-MRXNPFEDSA-N 321.377 2.517 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 100932647 QPBSIWPVMAYYPU-RYUDHWBXSA-N 320.732 2.925 5 50 DFBA Cc1cn2c(n1)CC[C@@H](CN(C)c1nccc(C)c1[N+](=O)[O-])C2 1776005687 MVCIFDMBXHDMTC-ZDUSSCGKSA-N 315.377 2.502 5 50 DFBA CCn1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)n1 474049 IHUKWVFUWTXZFQ-UHFFFAOYSA-N 322.752 2.703 5 50 DFBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 4700448 JBGNTOVNDACSEH-UHFFFAOYSA-N 318.354 2.736 5 50 DFBA Cc1ccc2c(c1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1O 187151711 GJIDQMALLMPANM-UHFFFAOYSA-N 314.297 2.648 5 50 DFBA Cn1nccc1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 160521311 QHVPTIOSNKDLKH-UHFFFAOYSA-N 300.362 2.708 5 50 DFBA O=[N+]([O-])c1c(F)cccc1N1CC[C@H](OCc2ccncc2)C1 192900457 PXUYGHVEDXRBFR-ZDUSSCGKSA-N 317.320 2.924 5 50 DFBA COC(=O)c1cc([N+](=O)[O-])cc(C)c1NCc1cccnc1 170613090 OGUQQCPORLUAIR-UHFFFAOYSA-N 301.302 2.697 5 50 DFBA CCOC(=O)c1cn(CC)c2cc(Cl)c([N+](=O)[O-])cc2c1=O 39133 FDZUDEZZPLTYAJ-UHFFFAOYSA-N 324.720 2.760 5 50 DFBA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 100178713 GLNDITBXXHRKJS-QQXRRDQMSA-N 318.716 2.560 5 50 DFBA Cc1sc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)c(C)c1C 193871810 SPSSCVMVTRCGES-UHFFFAOYSA-N 308.363 2.725 5 50 DFBA CC(C)(C)OC(=O)N1CCC(CCn2cnc([N+](=O)[O-])c2)CC1 194530436 ZRBBDTLYXXFYCY-UHFFFAOYSA-N 324.381 2.829 5 50 DFBA Cc1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1[N+](=O)[O-] 100943365 CDDIINQPQIMWTL-NWDGAFQWSA-N 320.732 2.925 5 50 DFBA O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1c1ccccn1 169961763 GTUALHDEDCDTOK-ZDUSSCGKSA-N 313.313 2.673 5 50 DFBA CC(C)c1ncc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cn1 280026277 VCGFEGRYRVVIAL-UHFFFAOYSA-N 316.317 2.526 5 50 DFBA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc([N+](=O)[O-])c1)OC2=O 2881871 HFAXFXXFEHQVNB-CVEARBPZSA-N 318.329 2.655 5 50 DFBA O=C(c1ccccc1)n1c(=O)sc2cc([N+](=O)[O-])ccc21 41119 PURIZPFHCJAXIR-UHFFFAOYSA-N 300.295 2.660 5 50 DFBA Cc1c(C(=O)NCCSc2ccccn2)cccc1[N+](=O)[O-] 4706650 ZZBTZSQWDNWZAB-UHFFFAOYSA-N 317.370 2.820 5 50 DFBA O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@H]2[C@@H]2C=C[C@H]23)c([N+](=O)[O-])c1 247342432 SREHYKGRATYLGD-URFZWBKFSA-N 302.286 2.840 5 50 DFBA CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H](C)c1cccnc1 170605071 WDSMWHNBPSTQTN-NSHDSACASA-N 314.345 2.795 5 50 DFBA Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCOC(C)(C)C1 585089738 DHAMQPDZOYJXGG-JTQLQIEISA-N 310.325 2.730 5 50 DFBA COc1ccc(OC)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 103223 DWFZMHUHVIVNCN-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA CCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 471209 NPZKDUFTPVRFCD-UHFFFAOYSA-N 313.313 2.597 5 50 DFBA Cc1c(C(=O)N2CC(=O)Nc3ccccc32)cccc1[N+](=O)[O-] 4840566 PPMBDDPADVOQSM-UHFFFAOYSA-N 311.297 2.502 5 50 DFBA Cc1ccc2[nH]c(CNC(=O)c3csc([N+](=O)[O-])c3)nc2c1 174869634 FRYPSWRDJJYJPI-UHFFFAOYSA-N 316.342 2.771 5 50 DFBA Cc1nc2cc([N+](=O)[O-])cc(NCc3ccccc3)c2c(=O)n1C 6659197 LNKZHHMBPDJFFX-UHFFFAOYSA-N 324.340 2.762 5 50 DFBA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccccc1[N+](=O)[O-] 2389160 SAVFDQXYVJSWEN-JTQLQIEISA-N 310.306 2.635 5 50 DFBA CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2O)C1(C)C 158657537 JVDBQHBLHIEIRE-CHWSQXEVSA-N 322.361 2.576 5 50 DFBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc(O)c2)c([N+](=O)[O-])c1 104230495 DUKCFLOCELVIEJ-UHFFFAOYSA-N 320.217 2.860 5 50 DFBA O=[N+]([O-])c1cccc(CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)c1 101866142 LYSZMVOIADELTI-ZVZYQTTQSA-N 315.417 2.901 5 50 DFBA COc1ccccc1NC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-] 190757 OGSCARQLXUJUND-UHFFFAOYSA-N 316.269 2.554 5 50 DFBA COc1cccc(N2CC[C@H](C)[C@H](n3ccnc3)C2)c1[N+](=O)[O-] 249289415 JZZSTXNLNHOWBP-GXTWGEPZSA-N 316.361 2.887 5 50 DFBA O=[N+]([O-])c1cnc(NCCc2nnc(-c3ccccc3)o2)s1 192474382 KFBHHJNRNVDQGF-UHFFFAOYSA-N 317.330 2.756 5 50 DFBA COc1cc2c(cc1[N+](=O)[O-])CN(C(=O)OC(C)(C)C)CC2 169620349 JKGSQXWPJRFDHS-UHFFFAOYSA-N 308.334 2.897 5 50 DFBA O=C(NCCSCc1ccco1)c1ccc([N+](=O)[O-])cc1 2992915 PDGPUXJACNEGHD-UHFFFAOYSA-N 306.343 2.851 5 50 DFBA CCOC(=O)c1ccccc1C(=O)c1ccc(N)c([N+](=O)[O-])c1 3878380 WTLGEWPKUWAHEU-UHFFFAOYSA-N 314.297 2.585 5 50 DFBA Cc1nn([C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1[N+](=O)[O-] 1068565 KHTMMUKDPISEOV-VIFPVBQESA-N 323.740 2.656 5 50 DFBA COC(=O)c1ccc(Nc2c([N+](=O)[O-])ccc3nonc23)cc1 3904291 KSZORCGCAXVXEO-UHFFFAOYSA-N 314.257 2.661 5 50 DFBA COc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1OC 209662 MHAZJPMWLRZBQZ-QWRGUYRKSA-N 322.361 2.730 5 50 DFBA Nc1ccc([N+](=O)[O-])c(N2CCO[C@@]3(C[C@H]4CC[C@H]3C4)C2)c1 369211921 BSSJTHRAXHGRAH-MKBNYLNASA-N 303.362 2.572 5 50 DFBA O=C(NC(=S)NC1CCCCC1)c1ccccc1[N+](=O)[O-] 587216 MSBDXGHWXGOQFS-UHFFFAOYSA-N 307.375 2.532 5 50 DFBA NC(=O)c1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 293594 HQRXIXULPZXEPX-UHFFFAOYSA-N 319.704 2.599 5 50 DFBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cn1 444321 VGUQCVBCQUBKOJ-UHFFFAOYSA-N 307.693 2.661 5 50 DFBA CS[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 117426979 ASVYBVDMANILKP-QWRGUYRKSA-N 310.375 2.704 5 50 DFBA CC[C@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1C 170599720 SGGZGANKLFHUDH-OLZOCXBDSA-N 305.378 2.962 5 50 DFBA Nc1ncnc(Sc2nc3ccccc3s2)c1[N+](=O)[O-] 3912720 HONOZVQZUQGYGX-UHFFFAOYSA-N 305.344 2.728 5 50 DFBA O=c1c2cncc(F)c2c2nccc3c4cc(O)ccc4n1c32 1875405203 ZVXGINKGOCKDBC-UHFFFAOYSA-N 305.268 2.832 5 50 DFBA O=[N+]([O-])c1cc(F)c(N[C@H](CO)CC(F)(F)F)c(F)c1 339697987 OBAVPTSSQGFCLG-YFKPBYRVSA-N 300.183 2.598 5 50 DFBA CN(C[C@H](O)c1cccnc1)c1c(Cl)cccc1[N+](=O)[O-] 2325874439 MVHSLEAGGGXIKU-ZDUSSCGKSA-N 307.737 2.813 5 50 DFBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCCO1 1055564 BIZHZBXYHAROST-LBPRGKRZSA-N 319.342 2.836 5 50 DFBA O=C1OC(c2ccccc2)=N/C1=C/Nc1ccc([N+](=O)[O-])cc1 6535677 NXTJNZJRCRADLX-GXDHUFHOSA-N 309.281 2.852 5 50 DFBA O=[N+]([O-])c1ccccc1CN1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 101790440 HUYZTWXQPXNEDQ-MPGHIAIKSA-N 315.417 2.901 5 50 DFBA CCc1cccc(CC)c1NC(=O)Cn1cc(C)c([N+](=O)[O-])n1 170619695 SKIDVTPAUWDXPY-UHFFFAOYSA-N 316.361 2.863 5 50 DFBA COc1ccc2c(c1)c1ccnc3c4cccnc4c(=O)n2c13 1875387884 CDXVXTLYVBSOFZ-UHFFFAOYSA-N 301.305 2.996 5 50 DFBA O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 238341 JSPBNJMOQJJJJH-UHFFFAOYSA-N 311.385 2.913 5 50 DFBA O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)cn1 296790 FRJDGUABQNVISH-UHFFFAOYSA-N 321.676 2.594 5 50 DFBA COc1ccc(NC(=O)CSc2ccncc2)c([N+](=O)[O-])c1 3879158 QOCBHZCDLGVRHX-UHFFFAOYSA-N 319.342 2.729 5 50 DFBA Cc1cc2c(=O)n(Cc3ccc([N+](=O)[O-])c(F)c3)cnc2s1 170605624 QFYKRCCRGAZDLX-UHFFFAOYSA-N 319.317 2.862 5 50 DFBA CCc1[nH]nc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] 192891416 DEKHJUXAVCCMSH-NHCYSSNCSA-N 306.366 2.531 5 50 DFBA CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCn2cc(C)nc21 253427764 AMXUHAYAFFTXNJ-GFCCVEGCSA-N 318.381 2.614 5 50 DFBA O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 127206913 BFTVFQNTJUSQCG-FHLIZLRMSA-N 308.337 2.592 5 50 DFBA C[C@H]1C[C@@H](C)C[C@H](c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)C1 273857453 CAGVSOGBWXRHJY-MYJAWHEDSA-N 305.338 2.918 5 50 DFBA O=[N+]([O-])c1c(F)cccc1NC1CCN(c2cccnn2)CC1 277008497 ITQKCBSXZWCRIH-UHFFFAOYSA-N 317.324 2.605 5 50 DFBA C[N+]1([C@@H]2CC3(CO2)CO[C@H]([N+]2(C)CCCCC2)C3)CCCCC1 284120 KMITYZUNBIKINZ-ADUPEVMXSA-N 324.509 2.727 5 50 DFBA COC(=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)s1 346554483 IGPSGUJOXYEZIY-UHFFFAOYSA-N 320.326 2.624 5 50 DFBA COc1cccc(N2CCC(c3nc(C)no3)CC2)c1[N+](=O)[O-] 185225458 XXMKPDLXEUMDAT-UHFFFAOYSA-N 318.333 2.679 5 50 DFBA Cc1ccccc1NC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-] 190699 TVOMQGRTQSQGFY-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCCCCCC2)c1 4578184 MIFHWHZYFQENPK-UHFFFAOYSA-N 312.391 2.986 5 50 DFBA COc1cccnc1N(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 121159661 SHQNYACKWOMSOH-UHFFFAOYSA-N 323.255 2.553 5 50 DFBA C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 2539409 ABEVDCGKLRIYRW-SNVBAGLBSA-N 315.285 2.994 5 50 DFBA in-vitro CC[C@@H]1CCCCN1C(=S)NC(=O)c1cccc([N+](=O)[O-])c1 459088 UGHVDFDVJDROQA-GFCCVEGCSA-N 321.402 2.874 5 50 DFBA CCCCS[C@H](C)C(=O)Nc1ncc([N+](=O)[O-])cc1OC 952883808 QUQRDCMYXMEBQB-SECBINFHSA-N 313.379 2.859 5 50 DFBA O=C(NCc1ccc(C(F)F)cc1)c1cnc(O)c([N+](=O)[O-])c1 194014173 DTXVZUWVOZUOKQ-UHFFFAOYSA-N 323.255 2.563 5 50 DFBA O=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1N1CCCCC1 4183917 GDQRTWVTWLDEBP-UHFFFAOYSA-N 309.341 2.561 5 50 DFBA COc1ccc2c(c1)CCN2C(=O)c1ccc(O)c([N+](=O)[O-])c1 164421227 NBEAGXSTGVAEIB-UHFFFAOYSA-N 314.297 2.512 5 50 DFBA COc1cccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 440671 RYTUFROILSLZAA-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA Cc1cc(C)n2nc(Sc3ccc([N+](=O)[O-])c(C)n3)nc2n1 301645511 NNJFLEMYOTWOEB-UHFFFAOYSA-N 316.346 2.504 5 50 DFBA O=C(Nc1cccc2nsnc12)c1cccc([N+](=O)[O-])c1 373657 GVJVOYBONORRBS-UHFFFAOYSA-N 300.299 2.852 5 50 DFBA Cc1ccc([N+](=O)[O-])c(OCCOCCN2CCCCC2)c1 4868803 MQQHXTAWQOIXSA-UHFFFAOYSA-N 308.378 2.785 5 50 DFBA Cc1ccc(F)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 7428476 OBLHKCNZJJXFRN-UHFFFAOYSA-N 310.306 2.843 5 50 DFBA CCSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 2187097 PUMSKWHEQKGHFR-UHFFFAOYSA-N 310.360 2.811 5 50 DFBA Cc1cccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)c1 122029804 BENGBNNHRBVVRF-UHFFFAOYSA-N 324.333 2.867 5 50 DFBA CNC(=O)c1ccc(N[C@@H](C)c2cncs2)c([N+](=O)[O-])c1 170619613 FMAQAZNXZZTEFC-QMMMGPOBSA-N 306.347 2.584 5 50 DFBA Cc1cn2c(n1)CC[C@H](CN(C)c1nccc(C)c1[N+](=O)[O-])C2 1776005685 MVCIFDMBXHDMTC-CYBMUJFWSA-N 315.377 2.502 5 50 DFBA CCOC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 225534988 LKBKQJZQKYINNI-LBPRGKRZSA-N 320.345 2.577 5 50 DFBA CSc1ccccc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 1423702 SQAABNLDRDHCKW-VIFPVBQESA-N 306.347 2.713 5 50 DFBA O=C(Nc1cccc(OCCF)c1)c1ccc([N+](=O)[O-])c(O)c1 150923269 CHAHFHJPEADXAB-UHFFFAOYSA-N 320.276 2.901 5 50 DFBA C[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 280638120 XYTOTLYQOYDGIE-XJKCOSOUSA-N 306.362 2.536 5 50 DFBA CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2O)C1(C)C 158657642 JVDBQHBLHIEIRE-OLZOCXBDSA-N 322.361 2.576 5 50 DFBA CCOc1cc(N(C)CCN(C)CC(F)F)ccc1[N+](=O)[O-] 170619638 ASQADJFBWYXNJP-UHFFFAOYSA-N 317.336 2.627 5 50 DFBA CC1=C([N+](=O)[O-])[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1C 285489 UEABLMDXZTYDMA-SNVBAGLBSA-N 315.251 2.910 5 50 DFBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(Cl)=CC[C@H]1C(=O)O 4725022 VOUOQKLERFJPON-NEPJUHHUSA-N 324.720 2.767 5 50 DFBA CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC1CCCCC1 138762203 NVWRBCDYXGZLAT-UHFFFAOYSA-N 314.363 2.678 5 50 DFBA CCc1nnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 442347 UWEAGEHULVQYKO-UHFFFAOYSA-N 312.738 2.914 5 50 DFBA Cc1cc(NC(=O)N2C[C@@H]3CCCN3C[C@H]2C)ccc1[N+](=O)[O-] 248587366 WKOKHEYPKGPHDA-OCCSQVGLSA-N 318.377 2.604 5 50 DFBA Cc1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc(O)n1 120513762 VJHUGTFVXRWNOR-UHFFFAOYSA-N 309.228 2.534 5 50 DFBA COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 617879 PDYKGPFSFKIPOD-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA O=C(COc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1 4422866 UYTYUPKOCVMOCG-UHFFFAOYSA-N 313.722 2.722 5 50 DFBA NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 436856 PICSUSJYZHKMBG-UHFFFAOYSA-N 319.704 2.599 5 50 DFBA O=C(NC(=S)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 6511821 SEIWNHDOJIGHBR-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA Cc1ccc(NC(=O)[C@@H](C)Cn2nc([N+](=O)[O-])cc2C)cc1F 2796195 BKFJDRZIXQALRX-JTQLQIEISA-N 320.324 2.822 5 50 DFBA C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)N1 4059156 NQZMBQDRJAFXPI-IUCAKERBSA-N 303.284 2.800 5 50 DFBA O=[N+]([O-])c1ccc(NCCCc2nc[nH]n2)nc1-c1ccccc1 225524069 QTEROFPMCXTPAJ-UHFFFAOYSA-N 324.344 2.820 5 50 DFBA O=C(NCCOCC1CC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 585134564 ZPRUDTAJHYYUKI-UHFFFAOYSA-N 316.716 2.544 5 50 DFBA O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 361214 WYIWKFDOHINUFP-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1CCCO1 433619 RMOASHJJDNMZBT-LBPRGKRZSA-N 319.342 2.836 5 50 DFBA COc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 60306 ZUEOMJHDOZQAFD-UHFFFAOYSA-N 302.286 2.621 5 50 DFBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCCC1 473874 OEBNIVZGDSVPGY-UHFFFAOYSA-N 323.399 2.919 5 50 DFBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 437437 ZHLGWUFRFMJHBU-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA CC[C@H](NC(=O)[C@H]1C[C@H]1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 252585264 HKLLXGFNNRXRIY-QKNHZHOFSA-N 306.406 2.763 5 50 DFBA O=C(c1ccc([N+](=O)[O-])cc1)N1C=CC(C(F)(F)F)=NCC1 1403954 OVKUXLHMMPVGJQ-UHFFFAOYSA-N 313.235 2.568 5 50 DFBA O=[N+]([O-])c1ccc(CN2CCN(c3ccc(F)cc3)CC2)o1 207414 CZXYSJYIXZQXRG-UHFFFAOYSA-N 305.309 2.649 5 50 DFBA O=C(O)COc1cccc(/C=C/c2ccc([N+](=O)[O-])cn2)c1 170657006 HBQXZANWZLBIOS-SNAWJCMRSA-N 300.270 2.624 5 50 DFBA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4525678 OPDODOOEXOADIZ-BONVTDFDSA-N 314.297 2.762 5 50 DFBA COc1cc([N+](=O)[O-])c(Br)nc1Br 39279574 UHFLJHCYEBYJIT-UHFFFAOYSA-N 311.917 2.523 5 50 DFBA COc1cccc(NC[C@@H]2COC3(CCCC3)O2)c1[N+](=O)[O-] 274663334 FVIGYHLPQBBURT-LLVKDONJSA-N 308.334 2.701 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C)C1 176394 OXQWGCLQGDRXNH-GFCCVEGCSA-N 321.377 2.664 5 50 DFBA Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1C12CC3CC(CC(C3)C1)C2 5677916 OXAUPUZNHIVVPC-UHFFFAOYSA-N 306.322 2.933 5 50 DFBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccn2)c([N+](=O)[O-])c1 17413952 DIPBIKKKLNWSEW-UHFFFAOYSA-N 305.206 2.550 5 50 DFBA biogenic O=C(N1CCc2cc([N+](=O)[O-])c(Cl)cc2C1)C(F)(F)F 95495801 WIYRBMFDSXLCCU-UHFFFAOYSA-N 308.643 2.695 5 50 DFBA CN1C[C@H]2CN(c3ccc4oc5ccccc5c(=O)c4c3)C[C@H]2C1 43132686 WUJHMDPPANTBTQ-OKILXGFUSA-N 320.392 2.944 5 50 DFBA in-vitro Cc1cc(-c2cc(C)c(N)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1N 4773145 FDCDAEYGQTVYOH-UHFFFAOYSA-N 302.290 2.951 5 50 DFBA O=[N+]([O-])c1ccc(F)cc1NCc1ccc(-n2cncn2)cc1 225723864 XBLVZOAYPOLXOP-UHFFFAOYSA-N 313.292 2.927 5 50 DFBA Nc1c([N+](=O)[O-])cc(Br)c(F)c1Br 1534067610 FSQZRTGMRSNWMH-UHFFFAOYSA-N 313.908 2.841 5 50 DFBA O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@@H]4[C@@H]5C[C@H]5[C@H]4[C@@H]32)c([N+](=O)[O-])c1 247351825 WGFAANRNHZIUTQ-KLTLJBQXSA-N 316.313 2.920 5 50 DFBA CN1CCC[C@]12CCN(c1ccc3ncccc3c1[N+](=O)[O-])C2 952992704 BSJQJBHQZFLDOL-QGZVFWFLSA-N 312.373 2.818 5 50 DFBA Cc1cccc(N/C=C(\[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1 3128143 LXRBGEXUWUGLSS-RVDMUPIBSA-N 318.354 2.956 5 50 DFBA CCc1ccc(C(=O)N(CC)c2cnn(C)c2)cc1[N+](=O)[O-] 594403360 WZQSSKQUTOONRQ-UHFFFAOYSA-N 302.334 2.557 5 50 DFBA O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 17054520 ZQNRZKWNLULXKS-TWZWYRAHSA-N 318.329 2.670 5 50 DFBA CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)c1ccncc1 192737055 XCZASPXMBGMVPU-UHFFFAOYSA-N 303.366 2.904 5 50 DFBA O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 159922479 YISBFOJCTNKIOS-GFCCVEGCSA-N 320.345 2.522 5 50 DFBA C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]2CC[C@H]1C2 251676877 VLEVDZHFFDLMAQ-YXMPFFBPSA-N 324.402 2.698 5 50 DFBA COc1cc(C(=O)Nc2ccc(C)cn2)c([N+](=O)[O-])cc1OC 176841 NVMWLSDQNJWEFB-UHFFFAOYSA-N 317.301 2.568 5 50 DFBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCN)c1 4984052 MWPPMHTVBUBABW-UHFFFAOYSA-N 314.345 2.526 5 50 DFBA COCc1cc(CNc2c([N+](=O)[O-])c(C)nn2C)ccc1F 253419468 VBFPZSSDFFFGKG-UHFFFAOYSA-N 308.313 2.534 5 50 DFBA CCn1nc(C)c([N+](=O)[O-])c1N1CCc2ccc(F)cc2C1 192703666 GTHLGOLQAITILP-UHFFFAOYSA-N 304.325 2.821 5 50 DFBA COc1ccc(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 465753 MJLQASPCWGFSHK-DHZHZOJOSA-N 312.325 2.933 5 50 DFBA CC1=C(C)C[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 100103871 IFJWSFZAKJMGQO-RYUDHWBXSA-N 300.314 2.831 5 50 DFBA C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1cn(-c2ccccc2)nn1 192491156 JCTRHHCLBVRPES-SECBINFHSA-N 316.346 2.805 5 50 DFBA O=[N+]([O-])c1ccc([C@H]2CN[C@@H](c3ccc4c(c3)OCO4)O2)cc1 19333109 MILBSLMMVSWOBR-HZPDHXFCSA-N 314.297 2.683 5 50 DFBA Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(N)=O)c1C 64914 JZSNFOYAMGVXJJ-UHFFFAOYSA-N 319.342 2.624 5 50 DFBA O=C(O)c1ccccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 2156173 QAVVIQAFGJQPJF-UHFFFAOYSA-N 304.233 2.684 5 50 DFBA COc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cc1 4024469 NWYAPPYUXJKGCN-UHFFFAOYSA-N 304.331 2.925 5 50 DFBA Cc1cc(N2CCC[C@@H]2c2nc(C)c(C)[nH]2)ncc1[N+](=O)[O-] 904217751 QTZGNOBUGXJKGP-GFCCVEGCSA-N 301.350 2.980 5 50 DFBA N=c1c2c(=O)oc3ccccc3c2ccn1Cc1ccccn1 1776111447 YAJDSAMKNZUTNO-UHFFFAOYSA-N 303.321 2.670 5 50 DFBA O=C(O)c1ccc([N+](=O)[O-])cc1Oc1cccc([N+](=O)[O-])c1 2144586 OIISCNBXEIYOIT-UHFFFAOYSA-N 304.214 2.994 5 50 DFBA COc1ccc2c(c1)nc1n3cc(C)c(=O)c(C)c3c(=S)n21 22062270 ZHCRAWLAWCUHBF-UHFFFAOYSA-N 311.366 2.893 5 50 DFBA in-vitro CC(C)[C@H]1C[C@@H](N2CCCC2)CN1c1ncccc1[N+](=O)[O-] 1616035777 GPBRVDLHNDRFPX-UKRRQHHQSA-N 304.394 2.689 5 50 DFBA O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1F 4543842 SZPYQPMAOWSVHO-UHFFFAOYSA-N 303.293 2.576 5 50 DFBA Cc1cccc(C(=O)O)c1NC(=O)c1ccc([N+](=O)[O-])cc1 4578335 DTYXDNUZHAMWQV-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA Cc1nccc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1-c1nnn[nH]1 72447055 AORKGHVOBSNHJZ-UHFFFAOYSA-N 316.708 2.799 5 50 DFBA O=[N+]([O-])c1cnc(N2CCC(Oc3ncccc3F)CC2)s1 240902784 IVKAGNUSUASQLC-UHFFFAOYSA-N 324.337 2.633 5 50 DFBA COc1ccc2c(c1)c1ccnc3c4ccncc4c(=O)n2c13 1875388028 KJIWEPGAZGMDEH-UHFFFAOYSA-N 301.305 2.996 5 50 DFBA Cc1cc([N+](=O)[O-])c(N)cc1N1CCN(c2ccccc2)CC1 4052531 HOZRULRDEDYVOZ-UHFFFAOYSA-N 312.373 2.812 5 50 DFBA Cc1nc(C)c(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)s1 253418841 ARCMEPSFBGGBLP-UHFFFAOYSA-N 317.330 2.967 5 50 DFBA O=[N+]([O-])c1cc(Cl)ccc1N1CCCC[C@@H]1c1nc(O)n[nH]1 408523175 HSHMELMLXBIBOH-SNVBAGLBSA-N 323.740 2.804 5 50 DFBA Cc1ccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1Cl 170589 IFGKVKBXOMQLKR-UHFFFAOYSA-N 308.725 2.700 5 50 DFBA O=[N+]([O-])c1ccccc1OCCOc1ccccc1[N+](=O)[O-] 1860418 DEHTVRKGDUCXRF-UHFFFAOYSA-N 304.258 2.961 5 50 DFBA biogenic,in-vitro Cc1ccc(F)c(NC(=O)[C@H](C)Cn2nc([N+](=O)[O-])cc2C)c1 2788221 IIMICHUGICTEGW-SNVBAGLBSA-N 320.324 2.822 5 50 DFBA O=[N+]([O-])c1cnc(N2CC[C@H](n3ncc4ccccc43)C2)s1 253395664 ZINALRLJBIISLP-NSHDSACASA-N 315.358 2.852 5 50 DFBA O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1[N+](=O)[O-] 4754548 OJSYHNGYPDIELN-BQYQJAHWSA-N 317.326 2.714 5 50 DFBA CC(C)OC1CCC(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 119340463 GZULPEGNZPXULH-UHFFFAOYSA-N 322.361 2.766 5 50 DFBA C/C=C1\C[N@+]2(C)CC[C@@]34c5ccccc5N[C@@H]3[C@H](CO)[C@H]1C[C@H]42 1772492998 LKZQOCJBJKPRFV-MMNYUJBYSA-N 311.449 2.526 5 50 DFBA COC(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2173852 XKHPOTYGLLNTJG-UHFFFAOYSA-N 300.270 2.634 5 50 DFBA COc1cc(C(=O)N(C)c2nccs2)cc([N+](=O)[O-])c1C 191539008 WSOACEAVCZIGQQ-UHFFFAOYSA-N 307.331 2.645 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccccc1 304174 LUBWYNFIZIFRBV-UHFFFAOYSA-N 322.342 2.545 5 50 DFBA COc1ccccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 613853 CERASXSSRNLQKN-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc1 4873046 LXRNLCXTZYNLRG-UHFFFAOYSA-N 315.329 2.560 5 50 DFBA COC(=O)c1coc(COc2c([N+](=O)[O-])cnc(C)c2C)c1 408523602 TYUNTGJJIHVDEW-UHFFFAOYSA-N 306.274 2.565 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 4844678 QPBSIWPVMAYYPU-NWDGAFQWSA-N 320.732 2.925 5 50 DFBA O=C(NC(=S)Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 6513899 TYFPKWBALPEWEA-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA CC(C)[C@H](c1ccccc1)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] 137057022 XDZHCDRZZAEMRZ-CQSZACIVSA-N 302.334 2.787 5 50 DFBA O=C(O)CC12C[C@@H]3C[C@H](C1)CC(n1cc([N+](=O)[O-])cn1)(C3)C2 2732113 QRYFBYMRTXTGHG-MPLXBHQASA-N 305.334 2.562 5 50 DFBA COC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 4343619 UOIAVEYZNBADLI-UHFFFAOYSA-N 317.253 2.902 5 50 DFBA C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 166193114 WXVKNURWMZKPHR-HZMBPMFUSA-N 308.334 2.834 5 50 DFBA CC[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 421969613 PGOHSKFILVQHST-WDEREUQCSA-N 317.345 2.764 5 50 DFBA CC(=O)Nc1ccc(Oc2ncnc(Cl)c2[N+](=O)[O-])cc1 1385183 TUXPMLJNQQRASA-UHFFFAOYSA-N 308.681 2.789 5 50 DFBA CC(C)n1ncc2c1C[C@@H](Nc1ncc([N+](=O)[O-])s1)CC2 253394960 IMDZULHSAFTUKW-JTQLQIEISA-N 307.379 2.798 5 50 DFBA Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] 285787624 LVNPQVKOOMLDHG-HUUCEWRRSA-N 304.346 2.687 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)OC(C)(C)C1 162847497 MPUNJBDKBGXHFN-LLVKDONJSA-N 307.350 2.934 5 50 DFBA Cc1nn(C)c(NCCc2cnc3ccccc3c2)c1[N+](=O)[O-] 896047015 HOVYQQUKGKJLAF-UHFFFAOYSA-N 311.345 2.840 5 50 DFBA O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 100591186 NPOLYOHVBVYDHZ-NWDGAFQWSA-N 306.705 2.617 5 50 DFBA Cc1cc(C(F)(F)F)nc(SCn2cc([N+](=O)[O-])cn2)n1 2783990 IXGDBKCCJWJOPQ-UHFFFAOYSA-N 319.268 2.658 5 50 DFBA Cc1ccc(CN2CCC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] 131859290 HYUBGJLLXDIBCX-HNNXBMFYSA-N 300.362 2.974 5 50 DFBA CCOc1cc(NC(=O)N2CCSCC2)ccc1[N+](=O)[O-] 585119321 BYYBSDGHHPIGTC-UHFFFAOYSA-N 311.363 2.574 5 50 DFBA O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C2(CCCCC2)O1 110181 DJTRUUZNHVGYNS-CYBMUJFWSA-N 318.329 2.799 5 50 DFBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)OC[C@H]1CCCO1 2155887 USXUCIDBHJDDQF-SECBINFHSA-N 300.698 2.976 5 50 DFBA O=[N+]([O-])c1ccc(N2CCN(C3Cc4ccccc4C3)CC2)cc1 55292625 CWXWPOLXNMHQDV-UHFFFAOYSA-N 323.396 2.884 5 50 DFBA CCn1nc(C)c([N+](=O)[O-])c1N1CCCC[C@@H](CCOC)C1 253428298 CTEPPHDHOPXZRC-ZDUSSCGKSA-N 310.398 2.763 5 50 DFBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCc2ccccc21 2501578 QJYQBYCCIMJSSA-UHFFFAOYSA-N 318.354 2.736 5 50 DFBA O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H](CO)Cc1cccnc1 408523879 OFBUKWBAXYWFGY-LBPRGKRZSA-N 321.764 2.906 5 50 DFBA C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)N1 4059155 NQZMBQDRJAFXPI-DTORHVGOSA-N 303.284 2.800 5 50 DFBA COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 103147 FGVJGTNSFVGRBR-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nnc(C2CC2)s1 1055008 PLBLISDVQFHRLC-UHFFFAOYSA-N 304.331 2.505 5 50 DFBA aggregator CSC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 292568327 ZTMIYZHKYVHXCQ-DOMZBBRYSA-N 310.419 2.703 5 50 DFBA COc1c(C)[nH]cc(CN(C)c2ccc([N+](=O)[O-])c(C)c2)c1=O 585132715 OXRIIVPHXPSAMC-UHFFFAOYSA-N 317.345 2.545 5 50 DFBA O=C(COc1ccc(F)c(F)c1)NCc1ccccc1[N+](=O)[O-] 193713866 DYIOSXDRSMGRHZ-UHFFFAOYSA-N 322.267 2.568 5 50 DFBA Cc1[nH]c2c(ccc3ccccc32)c(=O)c1CN1CCOCC1 19791662 SSUWFVCSNGUAQO-UHFFFAOYSA-N 308.381 2.822 5 50 DFBA COc1ccc(NC(=O)CSc2ccccn2)c([N+](=O)[O-])c1 3880233 IOLHYZBPBVGXTO-UHFFFAOYSA-N 319.342 2.729 5 50 DFBA O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 331115 YEFOAQFWSHKKCS-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1C(=O)O 4599476 KGJGKTVAWXPCRB-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA O=C(NC(=S)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 6511825 CNSGTWZSUDOORU-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA Cc1nn(CC(=O)NC2CCCCCCC2)c(C)c1[N+](=O)[O-] 2103066 JMJSRWPMQXJYKW-UHFFFAOYSA-N 308.382 2.637 5 50 DFBA COC(=O)c1cc(C(=O)Nc2ccc(F)cc2)cc([N+](=O)[O-])c1 60819 WRDPSYZHAKKYRU-UHFFFAOYSA-N 318.260 2.773 5 50 DFBA CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(C)cc2)n1 1002230 RMHXIBOKPFXVNR-NSHDSACASA-N 302.334 2.611 5 50 DFBA Cc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 5682107 TZFZLBJQOSOLRX-UHFFFAOYSA-N 317.257 2.769 5 50 DFBA CCSc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 4750086 JOSHLZKXCOKIRO-UHFFFAOYSA-N 324.387 2.740 5 50 DFBA Cc1ccc(F)cc1NC(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1 2795636 FUMPIGJTQPQJEV-SNVBAGLBSA-N 306.297 2.514 5 50 DFBA COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1 5064386 XZNBKSNCBNCDBZ-UHFFFAOYSA-N 315.329 2.905 5 50 DFBA CCOC(=O)C1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 3884162 MQNSKCHQWTVZMZ-UHFFFAOYSA-N 320.345 2.577 5 50 DFBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 5652646 ISYZGIPVKZIKHP-UHFFFAOYSA-N 318.354 2.884 5 50 DFBA COc1cccc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2OC)c1 85210170 PGSQOXHXJIJTGB-UHFFFAOYSA-N 303.270 2.977 5 50 DFBA in-vitro COCC1=CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 188837826 YNWNKGOBTNKABX-UHFFFAOYSA-N 305.334 2.714 5 50 DFBA CC[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 421969595 PDVADKZVNOXTJH-PWSUYJOCSA-N 317.345 2.764 5 50 DFBA COCc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 88306 XEWXZHLXXPWDRU-UHFFFAOYSA-N 312.281 2.542 5 50 DFBA Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)c1 188335 IUVXILPQJBTBFC-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA CC(=O)N(C[C@@H]1CCCN1c1ccccc1[N+](=O)[O-])C1CC1 277580991 BVEOCJRZQZHKPQ-AWEZNQCLSA-N 303.362 2.575 5 50 DFBA COc1ccc2c(c1)c1ccnc3c4c(O)cncc4c(=O)n2c13 1875388082 MCLIAPRKNFMIFX-UHFFFAOYSA-N 317.304 2.701 5 50 DFBA Cc1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] 230090858 VZKORYQDEILDLM-UKRRQHHQSA-N 308.403 2.610 5 50 DFBA O=C(c1ccc([N+](=O)[O-])cc1Cl)n1nnc2ccccc21 255467 OCBLWHJZYFQUMG-UHFFFAOYSA-N 302.677 2.681 5 50 DFBA Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cccc1C(=O)O 470234 CARNIRXALHSPTJ-UHFFFAOYSA-N 314.297 2.783 5 50 DFBA C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 223069 ZEFQIKQUXGNXPA-NSHDSACASA-N 306.343 2.634 5 50 DFBA NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 335486 JSVSBECJGHAOEF-UHFFFAOYSA-N 319.704 2.599 5 50 DFBA C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CC[C@H]1C2 240742299 AQKNLGBDGIBTME-ASHKBJFXSA-N 324.402 2.698 5 50 DFBA Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 3833529 BKYMBQNBAQDQJV-UHFFFAOYSA-N 310.306 2.843 5 50 DFBA CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]12 104160462 VOARIUUNMNTZEJ-FDEJFUCISA-N 312.325 2.605 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](C)C1 176392 OXQWGCLQGDRXNH-LBPRGKRZSA-N 321.377 2.664 5 50 DFBA C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 4856750 JSZAXVISTMGEKV-MEBBXXQBSA-N 314.297 2.762 5 50 DFBA C[C@@H](O)C[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] 225728015 KQTJIJUTSSGTBU-KGLIPLIRSA-N 308.378 2.599 5 50 DFBA CN1C2=NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 100462813 YAJCVGNXAVBXFK-GDNBJRDFSA-N 320.308 2.788 5 50 DFBA CC(C)c1nc(Oc2ccccc2[N+](=O)[O-])nc(N(C)C)n1 270970539 SVLNCAINTPYIPM-UHFFFAOYSA-N 303.322 2.762 5 50 DFBA CC1=C(C)C[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 100103863 DPEVIVVOLWLMJM-ZIAGYGMSSA-N 300.314 2.831 5 50 DFBA COc1ccccc1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 117038 OIANKIIJSNARCJ-UHFFFAOYSA-N 316.313 2.542 5 50 DFBA biogenic O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2)CCCN1c1cccnc1 240894737 IPLLPVHWUAODNY-OAHLLOKOSA-N 312.329 2.597 5 50 DFBA O=C(COC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1 584908557 RIMRBJABXVTQJZ-VHRBIJSZSA-N 303.314 2.757 5 50 DFBA CC(C)N1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 17056172 CTQWFUHAXFCMSH-UHFFFAOYSA-N 322.434 2.754 5 50 DFBA Cn1cc(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)cn1 218276185 ONHYLRRPIAGCGF-UHFFFAOYSA-N 305.297 2.963 5 50 DFBA CNC(=O)c1cnc(/C=C/c2ccc(F)c([N+](=O)[O-])c2)s1 170618329 RHSOQPXUAGNBEW-HWKANZROSA-N 307.306 2.720 5 50 DFBA O=[N+]([O-])c1cccc(CSc2nnnn2-c2ccccc2)c1 2618200 BQQWSZJIAWFPAK-UHFFFAOYSA-N 313.342 2.863 5 50 DFBA Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c(C)c1 4053983 HVXOAYNYVSNXGU-UHFFFAOYSA-N 312.373 2.933 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1ccccn1 156031603 BBDPKJOGVNWRAT-UHFFFAOYSA-N 300.318 2.662 5 50 DFBA Cc1ccc([N+](=O)[O-])c(NC2CCN(c3nccn3C)CC2)c1 408514646 KSRNHWDRDQCRJJ-UHFFFAOYSA-N 315.377 2.718 5 50 DFBA O=C(COC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1 584908556 RIMRBJABXVTQJZ-JKOKRWQUSA-N 303.314 2.757 5 50 DFBA O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccco1 447984 UQWQVWNNMGDXQA-AWEZNQCLSA-N 304.327 2.962 5 50 DFBA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4525677 OPDODOOEXOADIZ-BMIGLBTASA-N 314.297 2.762 5 50 DFBA O=C(Nc1ncc([N+](=O)[O-])s1)N[C@H]1C[C@@H]1c1ccccc1 71767344 LZYUIGASVSGNCH-ZJUUUORDSA-N 304.331 2.729 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 100185348 BPBSXZMLLWDWFB-GVARAGBVSA-N 312.325 2.605 5 50 DFBA Cc1cc(N[C@H]2CCC[C@@H]2CN)c2cccc([N+](=O)[O-])c2n1 420197660 MHVOSCXHSBLDMH-YPMHNXCESA-N 300.362 2.991 5 50 DFBA O=[N+]([O-])c1cnc(N2CCC[C@](CO)(c3ccccc3)C2)s1 253398274 RVRBOSVGVXHZJF-HNNXBMFYSA-N 319.386 2.582 5 50 DFBA Cc1cc(N2CCC[C@@H](n3ccnn3)CC2)ccc1[N+](=O)[O-] 874435239 OLRBJZJRVBOQFI-CYBMUJFWSA-N 301.350 2.726 5 50 DFBA Cc1ccc(F)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 5077773 SFZBSCPXOCGYFC-UHFFFAOYSA-N 310.306 2.843 5 50 DFBA O=[N+]([O-])c1cnc(N2CCC[C@@H]3CCC[C@H]32)nc1NC1CC1 230143648 YNJYFUXYEHPFQG-CMPLNLGQSA-N 303.366 2.728 5 50 DFBA C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O 5671896 FQTBNHNSLSVAIQ-CABZTGNLSA-N 324.333 2.676 5 50 DFBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncc([N+](=O)[O-])s1 71767271 ZSYKCQFLYGSMIQ-UHFFFAOYSA-N 309.263 2.604 5 50 DFBA Cc1noc([C@@H]2CCCN(c3cccc(F)c3[N+](=O)[O-])C2)n1 264942074 SFIRKPVPFTTZHB-SNVBAGLBSA-N 306.297 2.809 5 50 DFBA CSC[C@@H](C)C(=O)Nc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1 585130535 SYNUOGRIQGKUFX-SECBINFHSA-N 320.374 2.923 5 50 DFBA O=C1c2ccccc2C(=O)N1Sc1ccccc1[N+](=O)[O-] 5685333 MWRUNGXOGWGVSC-UHFFFAOYSA-N 300.295 2.898 5 50 DFBA O=C(c1ccc(Cl)cc1[N+](=O)[O-])n1nnc2ccccc21 183650 KNAJEBQEUXTYDD-UHFFFAOYSA-N 302.677 2.681 5 50 DFBA Nc1c(OC(F)(F)F)cc(Br)cc1[N+](=O)[O-] 71790243 DKXIIWNBIVXFTO-UHFFFAOYSA-N 301.018 2.838 5 50 DFBA in-vitro COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 3896273 YKZOYVJRPCTZFS-UHFFFAOYSA-N 317.257 2.764 5 50 DFBA COC1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 408518599 PQJMEQRQHDQAFV-UHFFFAOYSA-N 322.752 2.807 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccco1 3904005 GGFFRTDFJJDZLD-UHFFFAOYSA-N 305.315 2.623 5 50 DFBA O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3[C@H]2[C@H]2C=C[C@H]23)c([N+](=O)[O-])c1 216406296 SREHYKGRATYLGD-BUONHZGMSA-N 302.286 2.840 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CCCCC1 17031319 BVXUXUQTPWRJDJ-UHFFFAOYSA-N 306.366 2.511 5 50 DFBA Cc1n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2[n+]1C 12523989 RXLLEAMSHVRIHP-UHFFFAOYSA-N 310.333 2.565 5 50 DFBA O=[N+]([O-])c1c(Nc2cc3n(n2)CCCC3)nc2sccn12 286407843 NSKMQWKUFHIYCG-UHFFFAOYSA-N 304.335 2.580 5 50 DFBA CC(C)(C)[C@@H]1CCC[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] 413572466 IJSRMCWZJVDOKL-GHMZBOCLSA-N 306.366 2.715 5 50 DFBA Cc1cc(N[C@H]2CC[C@@H](CN)C2)c2cccc([N+](=O)[O-])c2n1 420265647 FBGBKYJJSBFDBG-NEPJUHHUSA-N 300.362 2.991 5 50 DFBA O=[N+]([O-])c1ccccc1-c1cnn(C[C@@H](O)CC(F)(F)F)c1 189424982 CMIJWLJRFVAHIX-JTQLQIEISA-N 315.251 2.772 5 50 DFBA Cc1cc(N2C[C@@H](O)C[C@@H]2C)c(Br)cc1[N+](=O)[O-] 384929482 HAOXIAPBKGNYAH-IUCAKERBSA-N 315.167 2.625 5 50 DFBA CCN(CC)CCCNc1c([N+](=O)[O-])c(=O)oc2ccccc12 3896373 RGVFWMQLCSNOHF-UHFFFAOYSA-N 319.361 2.845 5 50 DFBA C/C=C1\C[N@@+]2(C)CC[C@]34c5ccccc5N[C@H]3[C@H](CO)[C@H]1C[C@H]42 257361090 LKZQOCJBJKPRFV-SWOARLPQSA-N 311.449 2.526 5 50 DFBA O=C(NC(=S)Nc1ccccc1F)c1ccccc1[N+](=O)[O-] 453497 LXKJHDIAUJTOAI-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA C[C@H](O)C[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] 225727986 KQTJIJUTSSGTBU-KBPBESRZSA-N 308.378 2.599 5 50 DFBA N=C1NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 5637016 CZZAPCPWFCGOCC-GHXNOFRVSA-N 315.310 2.993 5 50 DFBA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(F)c(Cl)c1 1429405 NUGPSETZEKMZBW-UHFFFAOYSA-N 312.688 2.531 5 50 DFBA O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 159922591 YISBFOJCTNKIOS-LBPRGKRZSA-N 320.345 2.522 5 50 DFBA Cc1cccc(N2CCO[C@H](c3nccs3)C2)c1[N+](=O)[O-] 170602853 QTSCLSQBTPNIMJ-LBPRGKRZSA-N 305.359 2.938 5 50 DFBA CCN(CC)C(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4818983 ZRNZSBMOAKQERZ-UHFFFAOYSA-N 319.283 2.894 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101839089 XTOIUIXMPLPZLM-QHSBEEBCSA-N 324.336 2.605 5 50 DFBA Cc1nn(C[C@@H](C)C(=O)Nc2ccccc2F)c(C)c1[N+](=O)[O-] 2795423 VORJHFFGCXAISS-SECBINFHSA-N 320.324 2.822 5 50 DFBA N=C1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 18122394 ZTDVAFBPHUYMFS-GHXNOFRVSA-N 315.310 2.993 5 50 DFBA CC(=O)c1ccc(S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 1432486 MGWMPHWYXWFUTF-UHFFFAOYSA-N 319.338 2.939 5 50 DFBA COc1cccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 4819510 VFMNNHZNNUZDCU-UHFFFAOYSA-N 302.286 2.621 5 50 DFBA O=[N+]([O-])c1ccc(Nc2nc(O)nc(Nc3ccccc3)n2)cc1 9310368 JNFCFRCRACBBPP-UHFFFAOYSA-N 324.300 2.973 5 50 DFBA Cc1nonc1OCCCNc1ccc([N+](=O)[O-])cc1Cl 4547987 JMDGWNZNEMVRMI-UHFFFAOYSA-N 312.713 2.821 5 50 DFBA Cc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] 4611146 GIEIHJJCWVUZAI-UHFFFAOYSA-N 318.354 2.655 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@H]1CCCCO1 163246910 OUAKNXWZMSLBKG-CYBMUJFWSA-N 307.350 2.984 5 50 DFBA O=C1NC(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)S1 16672245 DHUMWXQIWNPCIX-WQLSENKSSA-N 315.310 2.709 5 50 DFBA COc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1C 102213 KPBGKLXLZIDWMV-UHFFFAOYSA-N 300.314 2.842 5 50 DFBA Cc1c(C(=O)NCc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] 171600 KDEFFDXUFOIUOG-UHFFFAOYSA-N 314.297 2.562 5 50 DFBA Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1[N+](=O)[O-] 4794895 BVOFBRMMFNPNAX-NEPJUHHUSA-N 306.318 2.733 5 50 DFBA CCNCc1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 123441742 SFDVRQFKWRRGBS-UHFFFAOYSA-N 313.357 2.886 5 50 DFBA CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2O)C1(C)C 158657251 JVDBQHBLHIEIRE-QWHCGFSZSA-N 322.361 2.576 5 50 DFBA COc1ccccc1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] 463207 FMROFOMJEKRQOF-ZHACJKMWSA-N 312.325 2.933 5 50 DFBA Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 3900133 UFARFPRUBDULQR-UHFFFAOYSA-N 314.297 2.927 5 50 DFBA COc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1C 4322898 LHPSITAVDURLIC-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 100591181 NPOLYOHVBVYDHZ-RYUDHWBXSA-N 306.705 2.617 5 50 DFBA Cc1nc(N2CCCC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] 241126081 JJIUINRMXOGHFT-CQSZACIVSA-N 301.350 2.763 5 50 DFBA Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])n1 104228772 KQWLFMBECZKZPA-UHFFFAOYSA-N 319.233 2.858 5 50 DFBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc2cccnc12 317519 LLHJBWBUFSPWMZ-UHFFFAOYSA-N 319.276 2.944 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 464948 RSZNGXXWPZTSKB-VXGBXAGGSA-N 320.732 2.925 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)CC(=O)c1ccccc1 1632782 ZEAVQYGCBBNOHZ-UHFFFAOYSA-N 314.297 2.815 5 50 DFBA O=C(O[C@H]1[C@@H]2C[C@H]2[C@H]2CC[C@H]21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104277797 MRHJYWPULMAEJR-MEBFFEOJSA-N 318.285 2.704 5 50 DFBA COc1ccc(C)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 583243 FUAYSRJUBCKUNT-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2F)CN1c1ccccc1 346252306 QGBLASDJZYSJHC-CQSZACIVSA-N 301.277 2.561 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 162750051 RDDOSADXWBWMDF-SWLSCSKDSA-N 319.361 2.982 5 50 DFBA O=[N+]([O-])c1ccc([C@@H](O)CNC(=S)Nc2ccccc2)cc1 13685796 JESXXJDWYDIVFK-AWEZNQCLSA-N 317.370 2.615 5 50 DFBA O=C(OCc1cccc([N+](=O)[O-])c1F)c1cnc2n1CCCC2 2325780844 SPGCYIASTVIKPO-UHFFFAOYSA-N 319.292 2.624 5 50 DFBA O=C(COc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1O 4954250 IRXVWKLUESLRQS-UHFFFAOYSA-N 322.704 2.971 5 50 DFBA CCN(Cc1cnn(C)c1)c1cc(OC)c(F)cc1[N+](=O)[O-] 253393344 XGFQXLHUBPKSDX-UHFFFAOYSA-N 308.313 2.503 5 50 DFBA O=Cc1ccc(Sc2nc(-c3ccco3)n[nH]2)c([N+](=O)[O-])c1 5649653 DSDQSUWFZNTFRL-UHFFFAOYSA-N 316.298 2.937 5 50 DFBA COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cccnc1 117784 KKVVHBHJHDOMJJ-SOFGYWHQSA-N 300.270 2.557 5 50 DFBA biogenic O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccccn2)CC1 16662949 DKBDJGBSNZSUFW-FNORWQNLSA-N 324.384 2.825 5 50 DFBA COc1ccc(C(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-] 461948 DPWIXUUTHQEBMW-UHFFFAOYSA-N 304.277 2.673 5 50 DFBA Cc1c(CN[C@@H](C)[C@H](C)Cc2ccccc2[N+](=O)[O-])cnn1C 225514613 OPPUMFRGTYRZIZ-OLZOCXBDSA-N 316.405 2.994 5 50 DFBA C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1 55425591 WTVGZZNFMMZVQM-PXAZEXFGSA-N 314.341 2.913 5 50 DFBA Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)Nc1ccccc1F 2788190 GGMFEORPSNHJDG-SECBINFHSA-N 306.297 2.514 5 50 DFBA Cc1cc(C[C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2C)n[nH]1 162744440 GELYBLLLPSDZON-JTQLQIEISA-N 317.349 2.687 5 50 DFBA C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 248120289 UZHQMAOTUMUBRB-MCIONIFRSA-N 304.394 2.831 5 50 DFBA Cc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] 128415843 QMPMETSOPJWCKG-CQSZACIVSA-N 300.362 2.626 5 50 DFBA CCCN1CCC(NC(=S)Nc2cccc([N+](=O)[O-])c2)CC1 17056175 FLDAKXDZYKREAO-UHFFFAOYSA-N 322.434 2.756 5 50 DFBA O=C(Nc1ncc([N+](=O)[O-])s1)N[C@@H]1C[C@@H]1c1ccccc1 71767346 LZYUIGASVSGNCH-NXEZZACHSA-N 304.331 2.729 5 50 DFBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 198663 ZIGIWEQTIQZFBN-UHFFFAOYSA-N 318.354 2.736 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101839087 XTOIUIXMPLPZLM-GBOPCIDUSA-N 324.336 2.605 5 50 DFBA Cc1ccc(N/C=C(\[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 3128128 XKAGUMKDANOVQP-RVDMUPIBSA-N 318.354 2.956 5 50 DFBA COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 611566 YSDRBXJQQGHSEX-UHFFFAOYSA-N 314.297 2.942 5 50 DFBA C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)n1cc([N+](=O)[O-])cn1 4686738 DUBYTVASIHQQJS-SSDOTTSWSA-N 312.688 2.784 5 50 DFBA Nc1ccc([N+](=O)[O-])c(NC2CCN(C3CCCC3)CC2)c1 193464981 VJEJPWFVZKPAFM-UHFFFAOYSA-N 304.394 2.996 5 50 DFBA O=C1N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 6927366 HSXITKPBYJUUBH-XNTDXEJSSA-N 323.308 2.688 5 50 DFBA Cc1cc([N+](=O)[O-])nn1C[C@H](O)Cc1ccc2ccccc2c1 360686106 PXIQMHJUNVNCPX-MRXNPFEDSA-N 311.341 2.857 5 50 DFBA Cc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1C 1062087 GAUQGILTWGVYPE-UHFFFAOYSA-N 302.334 2.664 5 50 DFBA Cc1nn([C@H](C)c2n[nH]c(=S)n2C2CC2)c(C)c1[N+](=O)[O-] 8535971 BEGLUZJTQLKBRC-MRVPVSSYSA-N 308.367 2.606 5 50 DFBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1CCCO1 433618 RMOASHJJDNMZBT-GFCCVEGCSA-N 319.342 2.836 5 50 DFBA Cc1ccc(S(=O)(=O)[N@@]2C[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2038855837 KBNDEGGNKFKUEN-CVEARBPZSA-N 318.354 2.649 5 50 DFBA O=C(Nc1cccc2nsnc12)c1ccc([N+](=O)[O-])cc1 104050 RASNJTILYILMAX-UHFFFAOYSA-N 300.299 2.852 5 50 DFBA CC(C)CN(CC(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 198676 AYEZGXSEMRRPDX-UHFFFAOYSA-N 314.407 2.898 5 50 DFBA O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 452743 JPGMPVKLZUKFOP-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3880068 KOJUOAVWEJJSFQ-UHFFFAOYSA-N 317.370 2.619 5 50 DFBA O=C(CN1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] 4054347 QPBIXFJZKOVURN-UHFFFAOYSA-N 311.341 2.986 5 50 DFBA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 4901870 BNTBMODNVKLBDI-ZJUUUORDSA-N 324.720 2.854 5 50 DFBA COc1cc(CN2CCc3ccccc3C2)cc([N+](=O)[O-])c1O 4990237 VKHKAJWKEDGEPV-UHFFFAOYSA-N 314.341 2.867 5 50 DFBA CC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 2496620 OAZTWXGUSUNZJW-YESZJQIVSA-N 318.373 2.809 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 4628585 BJSZGKKHYSIDSO-VXGBXAGGSA-N 306.318 2.733 5 50 DFBA O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@H]1C=C[C@H]2C1 100178719 GLNDITBXXHRKJS-XMUKKISLSA-N 318.716 2.560 5 50 DFBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCS[C@@H]2CCCC[C@@H]21 119159697 OSOYSUSQTRFCFK-SMDDNHRTSA-N 322.386 2.801 5 50 DFBA Cc1nonc1-c1csc(-c2cc([N+](=O)[O-])ccc2N)n1 1875358142 LAPCTGUAJSFEJG-UHFFFAOYSA-N 303.303 2.659 5 50 DFBA C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1 55425595 WTVGZZNFMMZVQM-YVEFUNNKSA-N 314.341 2.913 5 50 DFBA Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)n[nH]c1=S 223072632 SWNSESPBZKLVHY-UHFFFAOYSA-N 322.393 2.994 5 50 DFBA CC(=O)N(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 38822 JKBUXAHJZLIVFL-UHFFFAOYSA-N 313.313 2.830 5 50 DFBA O=[N+]([O-])c1cccc(Nc2ccc([N+](=O)[O-])c3nonc23)c1 3879013 KFSCCRCJOCFWSV-UHFFFAOYSA-N 301.218 2.783 5 50 DFBA CCOc1cccc(NCCCc2cncnc2)c1[N+](=O)[O-] 2325799663 NYZRLJWVBUJVBN-UHFFFAOYSA-N 302.334 2.828 5 50 DFBA CN(CCc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 4833197 WLGAWAJQUXVXOJ-QGZVFWFLSA-N 300.358 2.803 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](O)c1ccccc1 156013497 YXGIHJMQGUCFOR-HNNXBMFYSA-N 315.329 2.758 5 50 DFBA CN(C(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 615360 DUXWVFLWIFLUOD-UHFFFAOYSA-N 315.354 2.746 5 50 DFBA O=c1sc2ccc([N+](=O)[O-])cc2n1Cc1cccc(O)c1 1875341964 QNRNHZBPXQDRTE-UHFFFAOYSA-N 302.311 2.725 5 50 DFBA O=C(O)[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 4641474 VOUOQKLERFJPON-VXGBXAGGSA-N 324.720 2.767 5 50 DFBA O=C1CCCN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4800299 XOIPTKVHQOURJS-UHFFFAOYSA-N 319.195 2.649 5 50 DFBA O=C1Nc2ccccc2Nc2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 3878880 HQANKFBCTNTADV-UHFFFAOYSA-N 300.230 2.812 5 50 DFBA Cc1ccc(S(=O)(=O)[C@@H](C[N+](=O)[O-])c2cccs2)cc1 2325809460 OZEYDLSXRVZGPA-ZDUSSCGKSA-N 311.384 2.848 5 50 DFBA COc1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1C 613056 AKQPGRIEBPYLQV-UHFFFAOYSA-N 314.341 2.884 5 50 DFBA CCOc1ccccc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 993556 HNHVXKVTJDMDLN-UHFFFAOYSA-N 312.281 2.794 5 50 DFBA COC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 42636 UGFCTSZENQNLTG-UHFFFAOYSA-N 314.297 2.563 5 50 DFBA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4840346 KNMFONJVZGPCKZ-BONVTDFDSA-N 314.297 2.762 5 50 DFBA Nc1ccc([N+](=O)[O-])c(N2CC[C@H](n3ncc4ccccc43)C2)c1 374585796 PTXOFVCTWFLCAA-AWEZNQCLSA-N 323.356 2.978 5 50 DFBA Cc1noc(/C=C/c2ccc(OCC(=O)O)cc2)c1[N+](=O)[O-] 220970099 NUQASGGGNJCQIF-QPJJXVBHSA-N 304.258 2.525 5 50 DFBA COc1cccc(N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] 185559736 JZZSTXNLNHOWBP-JSGCOSHPSA-N 316.361 2.887 5 50 DFBA C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(O)c([N+](=O)[O-])c1 164232135 XVVGKTJDVGRTOY-XHDPSFHLSA-N 322.361 2.626 5 50 DFBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(O)CC2)o1 4986275 QDGVPTYSNIMDLL-UHFFFAOYSA-N 302.330 2.812 5 50 DFBA COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCc1ccccc1 2599160 VTHHRADLOLKTLD-UHFFFAOYSA-N 303.270 2.881 5 50 DFBA in-vitro CCCC(=O)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1 619886 KYHOCBVERUTPKW-UHFFFAOYSA-N 306.347 2.776 5 50 DFBA Cc1ccn(C2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)n1 367165928 QJQMFSFSLRUESA-UHFFFAOYSA-N 301.350 2.523 5 50 DFBA CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)C1 116843653 UOOPTEWQLLZXMX-CYBMUJFWSA-N 308.334 2.903 5 50 DFBA CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 4977157 FIJHZJHBFZXHKT-UHFFFAOYSA-N 311.769 2.919 5 50 DFBA CC[S@](=O)[C@@H]1CCC[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 267337317 CUCZCIWFWPSAIC-DCVWQXJKSA-N 311.407 2.790 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=S)NCc1ccco1 5041658 SEDOIXVCZQBJRQ-UHFFFAOYSA-N 307.331 2.683 5 50 DFBA COC[C@H](C)NC(=O)c1cc2c(ccc3ccccc32)oc1=O 12383542 BHFVUBUJTMXLAX-NSHDSACASA-N 311.337 2.711 5 50 DFBA Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 2736869 HPFKSIXDSCTNMZ-UHFFFAOYSA-N 300.270 2.884 5 50 DFBA O=[N+]([O-])c1cnn(Cc2cccc(OCC(F)(F)F)c2)c1 299055719 UQBUQURBAWMPGS-UHFFFAOYSA-N 301.224 2.781 5 50 DFBA CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc([N+](=O)[O-])cc2)C1 67800629 SGQPXIZHVCLLRP-ZDUSSCGKSA-N 308.334 2.983 5 50 DFBA C[C@H](Nc1cnc([N+](=O)[O-])c(O)c1)c1ncc(C(F)(F)F)[nH]1 1776005125 BRCLOHFRFDNINL-YFKPBYRVSA-N 317.227 2.610 5 50 DFBA Cc1cc(NC[C@H](C)[S@](C)=O)c2cc([N+](=O)[O-])ccc2n1 167396068 QTKFEFXNYUDKGZ-CHNSCGDPSA-N 307.375 2.630 5 50 DFBA Cc1nn2c3cc(N4CCNCC4)ccc3nc2c2ccccc12 4703672 MOIWRUVMQYFUSC-UHFFFAOYSA-N 317.396 2.754 5 50 DFBA Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1[N+](=O)[O-] 4794897 BVOFBRMMFNPNAX-VXGBXAGGSA-N 306.318 2.733 5 50 DFBA COc1ccccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 38501 FQJXCAVSIARZOY-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA COC(=O)c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1 1232678 BBLJXQXAGYLDCE-UHFFFAOYSA-N 301.254 2.601 5 50 DFBA biogenic CCn1nc(C)c([N+](=O)[O-])c1N1CCCC[C@H](CCOC)C1 253428293 CTEPPHDHOPXZRC-CYBMUJFWSA-N 310.398 2.763 5 50 DFBA C[C@@H]1[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]2C[C@H]1C2(C)C 241466057 NUHDHPGTPBVBFT-OIMNJJJWSA-N 321.377 2.795 5 50 DFBA CC(C)(C)c1ccc([C@@H](O)CNc2ncc([N+](=O)[O-])cn2)cc1 273581772 FUJQWNHIWYXDBE-AWEZNQCLSA-N 316.361 2.828 5 50 DFBA CCc1nccn1[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 193415351 MHAIRGINRFUBIA-CYBMUJFWSA-N 315.377 2.777 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 100970816 RSZNGXXWPZTSKB-RYUDHWBXSA-N 320.732 2.925 5 50 DFBA CC[C@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1C 252586749 SGGZGANKLFHUDH-STQMWFEESA-N 305.378 2.962 5 50 DFBA O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc[nH]3)C2)c2ccncc12 241644339 PPZWCGKZDFOZGB-NSHDSACASA-N 324.344 2.645 5 50 DFBA CSC[C@H](C)C(=O)Nc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1 585130536 SYNUOGRIQGKUFX-VIFPVBQESA-N 320.374 2.923 5 50 DFBA COc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1C2=O 1713232 HEHLBECQEKBJFJ-UHFFFAOYSA-N 300.226 2.723 5 50 DFBA Cc1c(CC(=O)O[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] 252516848 XFRGOAVZYIWLBK-APHBMKBZSA-N 319.357 2.802 5 50 DFBA CCOC(=O)C1=C(C)N=C(N)S[C@H]1c1cccc([N+](=O)[O-])c1 96028228 OKUPRIZZYZRSEN-LBPRGKRZSA-N 321.358 2.535 5 50 DFBA CCc1cnc(CN(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)s1 119124304 ZTCWVTDVEONFAS-UHFFFAOYSA-N 321.358 2.592 5 50 DFBA O=[N+]([O-])c1ccc(NC[C@H]2CCC3(CCOCC3)[C@H]2O)c(F)c1 253393097 QGXQUFFBXHIPAF-ABAIWWIYSA-N 324.352 2.714 5 50 DFBA Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](n3ccnn3)CC2)c1 874434758 CTRQSYLSBBJAMD-CYBMUJFWSA-N 301.350 2.726 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCCCC1 176382 BLABIWLFEDFEEH-UHFFFAOYSA-N 321.377 2.808 5 50 DFBA O=C(/C=C/c1ccco1)OCC(=O)c1cccc([N+](=O)[O-])c1 297437 WHXVZPQFWIDOMI-VOTSOKGWSA-N 301.254 2.627 5 50 DFBA C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4525675 OPDODOOEXOADIZ-MEBBXXQBSA-N 314.297 2.762 5 50 DFBA C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 5671911 FQTBNHNSLSVAIQ-JOYOIKCWSA-N 324.333 2.676 5 50 DFBA O=C(Nc1ncc([N+](=O)[O-])s1)N[C@H]1C[C@H]1c1ccccc1 71767343 LZYUIGASVSGNCH-UWVGGRQHSA-N 304.331 2.729 5 50 DFBA COc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2O)cc1 130324141 YAAHQSJAPDUSRO-UHFFFAOYSA-N 316.313 2.581 5 50 DFBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCO2 283720 LXLLQTHSYYBYTE-FPYGCLRLSA-N 312.281 2.975 5 50 DFBA Cc1ccc(-n2c(C)nn(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 4072981 FHNGOFQMXWQMON-UHFFFAOYSA-N 324.340 2.607 5 50 DFBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 5094382 WBKNUROQWBYNEG-UHFFFAOYSA-N 300.270 2.618 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C 39257 UPPOSAOUNYNRPN-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA Cc1cc(Nc2ncnc(N)c2[N+](=O)[O-])ccc1Br 5064182 WXNRODYKCIXLPV-UHFFFAOYSA-N 324.138 2.782 5 50 DFBA Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc([N+](=O)[O-])c1N 1772820801 ASVBLQGLQYCDMF-UHFFFAOYSA-N 318.173 2.798 5 50 DFBA COC(=O)N(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4800259 JNOFMDNFBOTQJG-UHFFFAOYSA-N 323.183 2.724 5 50 DFBA O=[N+]([O-])c1cc2c(cc1SCCCn1ccnc1)OCC2 2325798449 LVBQOUVKQUKKEM-UHFFFAOYSA-N 305.359 2.909 5 50 DFBA COc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 62309 UFICAKQOIWBEHB-UHFFFAOYSA-N 315.281 2.643 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC[C@H]1CO 163220134 LWUBPEYHNABLGA-FZMZJTMJSA-N 307.350 2.576 5 50 DFBA Cc1nn(C)c(NCc2cccc(-c3ncc[nH]3)c2)c1[N+](=O)[O-] 341935298 NDIGMUQZRDKELB-UHFFFAOYSA-N 312.333 2.639 5 50 DFBA O=[N+]([O-])c1cc([N+](=O)[O-])c(NCc2ccco2)c([N+](=O)[O-])c1 104242509 RQLTZGSBJXGTSW-UHFFFAOYSA-N 308.206 2.616 5 50 DFBA Cc1cc(N2C[C@H](O)C[C@H]2C)c(Br)cc1[N+](=O)[O-] 384929484 HAOXIAPBKGNYAH-RKDXNWHRSA-N 315.167 2.625 5 50 DFBA Cc1ccc(NC(=O)c2ccc(NCCN)c([N+](=O)[O-])c2)cc1 4706824 GQMCJLIOCLNLLS-UHFFFAOYSA-N 314.345 2.526 5 50 DFBA O=[N+]([O-])c1c(Sc2nnnn2C2CC2)ccc2ncccc12 112073202 WBZHIGSMLODQSK-UHFFFAOYSA-N 314.330 2.616 5 50 DFBA COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 135460 NLSLKWSAYYBQSO-UHFFFAOYSA-N 300.314 2.576 5 50 DFBA COc1ccc(NC(=O)COc2ccccc2C)c([N+](=O)[O-])c1 4358567 DIPBQOPBMYIFAG-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA Cc1cc(C)nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 41416 VYSKBXGIMJYMOB-UHFFFAOYSA-N 318.358 2.732 5 50 DFBA CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 242288003 YKIIOOPNJZXZSB-COLVAYQJSA-N 308.353 2.979 5 50 DFBA O=C(NCc1ccccc1CO)c1ccc([N+](=O)[O-])c(Cl)c1 139192394 DAANBLCABZBKTM-UHFFFAOYSA-N 320.732 2.671 5 50 DFBA CCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 272612 HCZZMHPBWAKKNO-UHFFFAOYSA-N 322.342 2.794 5 50 DFBA Cc1ccoc1C(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-] 4482051 PXWKKEYMYCPCOK-UHFFFAOYSA-N 323.736 2.992 5 50 DFBA O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCO3)c2nonc12 4754701 VUKPVLYYHHKHRH-UHFFFAOYSA-N 300.230 2.603 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101839083 XTOIUIXMPLPZLM-UXOAXIEHSA-N 324.336 2.605 5 50 DFBA CN(C(=O)c1snnc1C1CC1)c1cccc([N+](=O)[O-])c1 291601897 CWDGPYAMBLYFCU-UHFFFAOYSA-N 304.331 2.600 5 50 DFBA CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1c(O)cccc1F 2325748141 IUWBDPMODQGCHI-UHFFFAOYSA-N 304.277 2.712 5 50 DFBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccncc2)c([N+](=O)[O-])c1 104228760 VTINJVDCHSVZRA-UHFFFAOYSA-N 305.206 2.550 5 50 DFBA CC[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 421969594 PDVADKZVNOXTJH-JQWIXIFHSA-N 317.345 2.764 5 50 DFBA CSCc1cccnc1C(=O)N(C)c1ccc([N+](=O)[O-])nc1 362185791 ADRHWCPFWWUHLT-UHFFFAOYSA-N 318.358 2.524 5 50 DFBA CC(C)[C@H]1C[C@H](N2CCCC2)CN1c1ncccc1[N+](=O)[O-] 1616035775 GPBRVDLHNDRFPX-DZGCQCFKSA-N 304.394 2.689 5 50 DFBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC1=CCCCC1 314776 YKWNGKMJKKERJD-UHFFFAOYSA-N 310.375 2.764 5 50 DFBA O=c1c2oc3cccc4c3n(c=2c(=O)c2ccccc12)CCC4 4857418 KNOHHYUCLLPNIQ-UHFFFAOYSA-N 303.317 2.779 5 50 DFBA CCCNc1ccccc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C 190139858 XDQJSDXXVPKVRR-UHFFFAOYSA-N 317.349 2.711 5 50 DFBA O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1Cl 13285160 UIRBDXIAHIBVSV-UHFFFAOYSA-N 316.704 2.799 5 50 DFBA Cc1c(NS(=O)(=O)Cc2ccccc2)cccc1[N+](=O)[O-] 287869 WPIRQXUGUBKGMJ-UHFFFAOYSA-N 306.343 2.845 5 50 DFBA O=C(Nc1cccnc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4983433 QFXRVCJBDSSNKJ-UHFFFAOYSA-N 312.329 2.842 5 50 DFBA COC(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 79045357 GUOGVJFNFLXSLK-UHFFFAOYSA-N 317.297 2.969 5 50 DFBA in-vitro COc1ccc(NS(=O)(=O)Cc2ccccc2)c([N+](=O)[O-])c1 5260057 ZVHXPXQQHKTURT-UHFFFAOYSA-N 322.342 2.545 5 50 DFBA CC(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 115735 PMARJLKHDHVDOA-UHFFFAOYSA-N 314.297 2.815 5 50 DFBA Cc1ccc(NC(=S)NC(=O)c2ccco2)c([N+](=O)[O-])c1 4104332 VGCXCOJYMWDTRD-UHFFFAOYSA-N 305.315 2.623 5 50 DFBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccco2)CC1 4550951 QTDAWVWPUGWWDC-UHFFFAOYSA-N 301.346 2.506 5 50 DFBA COc1ccc(NC(=O)COc2cccc(C)c2)c([N+](=O)[O-])c1 4699011 CZPDFENNOGLSOU-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA O=C(NC1CCCC1)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 1002474 XXZTYYUKZVNQCA-UHFFFAOYSA-N 314.345 2.512 5 50 DFBA CO[C@H](C(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 182394164 SJUYCIBCBKYZAG-INIZCTEOSA-N 312.325 2.872 5 50 DFBA Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](C(F)(F)F)C(C)(C)C1 408324172 IZVMWCCTVDQJIB-MRVPVSSYSA-N 306.288 2.743 5 50 DFBA CCOC(=O)c1ccnc(N[C@@H](C)c2ccncc2)c1[N+](=O)[O-] 193375157 OHTFUDXJOCVBLI-JTQLQIEISA-N 316.317 2.735 5 50 DFBA COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 38865 HNFQMEXZFGNGOQ-UHFFFAOYSA-N 304.277 2.924 5 50 DFBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1c(F)cccc1F 611649 MXEMBSBKKAVVDT-UHFFFAOYSA-N 314.269 2.674 5 50 DFBA COc1cc(Nc2ccc(C)cc2)c([N+](=O)[O-])nc1[N+](=O)[O-] 3953288 VLNVSEACPINPHF-UHFFFAOYSA-N 304.262 2.959 5 50 DFBA O=[N+]([O-])c1cnc(N2CCC[C@H]3CCC[C@H]32)nc1NC1CC1 230143653 YNJYFUXYEHPFQG-ZYHUDNBSSA-N 303.366 2.728 5 50 DFBA Cc1ccc([C@H](C)NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 371813 BFJANAATPYMMKD-NSHDSACASA-N 316.361 2.594 5 50 DFBA CC(C)N(c1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-])C(C)C 585655896 HDCZTGYEXRCLET-UHFFFAOYSA-N 311.294 2.824 5 50 DFBA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 101366480 RWCBIWIPRCRLLY-XYPYXGAPSA-N 324.336 2.853 5 50 DFBA C[C@H](c1ccncc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1O 120944026 CPAGVPZPAPIFPD-SNVBAGLBSA-N 301.302 2.529 5 50 DFBA CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1 2585830 JLVLDNCAYKCLCI-LLVKDONJSA-N 310.306 2.635 5 50 DFBA CC(C)(C)c1coc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)n1 1615588427 PQNPFAGKZAQEPA-UHFFFAOYSA-N 324.358 2.854 5 50 DFBA CC(=O)Nc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 183924 GXEZABGJAURIHD-UHFFFAOYSA-N 313.313 2.734 5 50 DFBA CC(=O)Nc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 434680 WOLXALZBABSPRK-UHFFFAOYSA-N 317.276 2.945 5 50 DFBA CC(=O)OCCCNc1cc(N2CCCC2)ccc1[N+](=O)[O-] 3894079 MMWPIZWEIITPAW-UHFFFAOYSA-N 307.350 2.560 5 50 DFBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1NCc1ccco1 4104319 RDEPYKZWHODKSD-UHFFFAOYSA-N 303.318 2.637 5 50 DFBA Cc1ccccc1OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 4534949 CHQZUMRSOORBDJ-UHFFFAOYSA-N 300.314 2.945 5 50 DFBA O=[N+]([O-])c1cc(Br)c(F)cc1OC[C@@H]1CCOC1 225625369 QOFGGBKTQPPCEQ-SSDOTTSWSA-N 320.114 2.912 5 50 DFBA O=c1oc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc12 2356861 ZHIDETZOYSQSGT-UHFFFAOYSA-N 313.225 2.671 5 50 DFBA O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1Cl 823949 XEQLWELYCHGUNI-UHFFFAOYSA-N 315.116 2.737 5 50 DFBA Cc1ccnc(N2C[C@H](c3cnn(C)c3)C(C)(C)C2)c1[N+](=O)[O-] 585092151 HECNCZCEQQHCGP-CYBMUJFWSA-N 315.377 2.662 5 50 DFBA C[C@@]12CNC[C@]1(C)CN(c1ccc([N+](=O)[O-])c3cnccc13)C2 600955994 MHOZPIBDPIECLT-CALCHBBNSA-N 312.373 2.579 5 50 DFBA Cc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1[N+](=O)[O-] 195398 FFNMZRYDDZINLX-UHFFFAOYSA-N 319.405 2.942 5 50 DFBA CN1CCC[C@@]12CCN(c1ccc3ncccc3c1[N+](=O)[O-])C2 952992702 BSJQJBHQZFLDOL-KRWDZBQOSA-N 312.373 2.818 5 50 DFBA O=C(N[C@H]1CCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1Cl 229726538 QATQJSVIQADQPS-KBPBESRZSA-N 323.780 2.605 5 50 DFBA O=C(C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5090812 HYCYCFYUZSPATJ-UHFFFAOYSA-N 317.389 2.824 5 50 DFBA NC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 431566 WWCYLZZZIBOEHO-UHFFFAOYSA-N 319.704 2.599 5 50 DFBA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4525676 OPDODOOEXOADIZ-ZUZCIYMTSA-N 314.297 2.762 5 50 DFBA CCN1CCN(c2cc(N(CC)CC)c(F)cc2[N+](=O)[O-])CC1 4997417 FUANMHOWFHGTGD-UHFFFAOYSA-N 324.400 2.722 5 50 DFBA Cc1ccc(S(=O)(=O)[N@@]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2038855838 KBNDEGGNKFKUEN-HOTGVXAUSA-N 318.354 2.649 5 50 DFBA Cc1cccc(N2CCC(C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 170602849 NWEVASLQWWMHAW-UHFFFAOYSA-N 317.389 2.742 5 50 DFBA CC(C)(C)NC1([N+](=O)[O-])CN(C(C)(C)C)CN(C(C)(C)C)C1 19203989 NGBACLVSPODEAW-UHFFFAOYSA-N 314.474 2.520 5 50 DFBA O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)o1 4619701 JCRCDPHAFZXQDB-UHFFFAOYSA-N 312.079 2.598 5 50 DFBA O=C1C[C@@H](c2ccccc2)CN1C(=O)c1ccccc1[N+](=O)[O-] 454668 MJMQHAOHBWFSLA-CYBMUJFWSA-N 310.309 2.751 5 50 DFBA COC(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(C=O)c1 170121 GSVTUFDGMNVPQW-UHFFFAOYSA-N 301.254 2.986 5 50 DFBA COc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 47237 PBDZTYPTGXKTQQ-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 3887927 ZLRMJDWDDCKZRY-SECBINFHSA-N 318.782 2.669 5 50 DFBA CC(=O)c1ccc(N[C@H]2CCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 229727241 IYLJZXLNWPPNOL-GJZGRUSLSA-N 303.362 2.836 5 50 DFBA Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] 285787616 LVNPQVKOOMLDHG-CABCVRRESA-N 304.346 2.687 5 50 DFBA Cn1cc(C2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)cn1 302819386 OBXCQWRINZJKPL-UHFFFAOYSA-N 304.325 2.851 5 50 DFBA CC(=O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 5027813 VNODKLRIGSCJNF-UHFFFAOYSA-N 320.326 2.598 5 50 DFBA COc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1OC 4891747 LHKGKXFAHOOVHB-UHFFFAOYSA-N 302.330 2.902 5 50 DFBA O=C(CNc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCC2 144705424 CZCSFXKPTUYYRP-UHFFFAOYSA-N 318.358 2.591 5 50 DFBA Cc1nn([C@@H](C)c2n[nH]c(=S)n2C2CC2)c(C)c1[N+](=O)[O-] 8535970 BEGLUZJTQLKBRC-QMMMGPOBSA-N 308.367 2.606 5 50 DFBA CC(=O)N[C@@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 221745385 YIYHXOAYERGIJG-GXTWGEPZSA-N 305.378 2.565 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1cccnc1 13331943 FGKHPCKHYKDJMA-JTQLQIEISA-N 316.317 2.881 5 50 DFBA C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(O)c([N+](=O)[O-])c1 164231834 XVVGKTJDVGRTOY-ABAIWWIYSA-N 322.361 2.626 5 50 DFBA Nc1c(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cccc1[N+](=O)[O-] 170653214 RWPIBVFYOUNOAP-MPEURRAXSA-N 315.373 2.828 5 50 DFBA COc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 450350 OSYDMXZZNLNXHY-IZZDOVSWSA-N 312.325 2.933 5 50 DFBA Cc1nc(Cl)c(C(=O)NCc2ccco2)c(C)c1[N+](=O)[O-] 4754002 MCLZHNNCFLUYFY-UHFFFAOYSA-N 309.709 2.783 5 50 DFBA CCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 45668 AYLZXTXTMIGLAD-UHFFFAOYSA-N 304.258 2.617 5 50 DFBA COc1cc(C=O)ccc1OCCOc1ccccc1[N+](=O)[O-] 4701767 RVEGKLSDVVQADH-UHFFFAOYSA-N 317.297 2.874 5 50 DFBA COc1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 295365 HUMYECVYADBLCY-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA CCn1c([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)nc2ccccc21 162151436 GMACYXHRGYRHNU-SNVBAGLBSA-N 312.333 2.928 5 50 DFBA CC(C)C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C 582757 CVSSFSUHGQZICM-UHFFFAOYSA-N 300.380 2.554 5 50 DFBA Cc1nnc(-c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)o1 4184243 RNYKFFYPKWJVKO-NSHDSACASA-N 304.306 2.544 5 50 DFBA Cc1cccc(NC(=O)CCn2nc([N+](=O)[O-])cc2C)c1C 374575 LLLHLGRTSHNMEQ-UHFFFAOYSA-N 302.334 2.745 5 50 DFBA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c([N+](=O)[O-])c1 100171814 BVUUQMPZCQAOIE-GVARAGBVSA-N 312.325 2.605 5 50 DFBA Cc1cc(N[C@@H]2CC[C@@H](CN)C2)c2cccc([N+](=O)[O-])c2n1 420265655 FBGBKYJJSBFDBG-VXGBXAGGSA-N 300.362 2.991 5 50 DFBA O=c1cc(O)c2c(=O)n(-c3ccccc3)c3ccccc3c2o1 100286630 JULHLMULLDMMOV-UHFFFAOYSA-N 305.289 2.803 5 50 DFBA CSC[C@H](CCO)N=c1ccc2ccc3cccnc3c2[nH]1 1875294163 BXBXKXLXPHSVAT-AWEZNQCLSA-N 313.426 2.731 5 50 DFBA C[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 5676107 DYHFYNXLBFTXSD-ONGXEEELSA-N 307.306 2.812 5 50 DFBA C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 124839 ZHYXXNPABNYAJK-LLVKDONJSA-N 306.343 2.634 5 50 DFBA COc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 436065 CKOMFSRSNZTKMS-UHFFFAOYSA-N 300.314 2.576 5 50 DFBA Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2Cl)n1 188531 VBYPPXFTZOJBOI-UHFFFAOYSA-N 315.116 2.887 5 50 DFBA Cn1nccc1C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 253419918 DITWERCFBVNWMF-UHFFFAOYSA-N 318.352 2.847 5 50 DFBA O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1csc(Cl)n1 241587913 OYCFVUKSKAVTPO-UHFFFAOYSA-N 311.706 2.661 5 50 DFBA O=[N+]([O-])c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1 55539466 YMJMMRCIHUURQI-UHFFFAOYSA-N 308.341 2.960 5 50 DFBA COc1cc(C=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2997145 QMJHZNRCUTWOLZ-UHFFFAOYSA-N 317.297 2.874 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C)cc1 4738630 WAXXGFBVADVBKP-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA CCc1[nH]nc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] 248740573 DEKHJUXAVCCMSH-JBLDHEPKSA-N 306.366 2.531 5 50 DFBA CC(=O)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 466765 JPUADRXMUGTNIW-UHFFFAOYSA-N 314.297 2.910 5 50 DFBA COc1ccccc1NC(=O)COc1ccc(C)cc1[N+](=O)[O-] 6701161 NFTDTCXTHMTBFY-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c([N+](=O)[O-])c1 101356506 JBXTZRPOFLDERS-FIXIBIHLSA-N 324.336 2.605 5 50 DFBA C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O)c1nccs1 123585742 AZXREKDZZHDBLW-VIFPVBQESA-N 321.358 2.633 5 50 DFBA CCSc1cc(CNc2c([N+](=O)[O-])c(C)nn2C)ccn1 274989868 DHAUWKXTEQOLTP-UHFFFAOYSA-N 307.379 2.756 5 50 DFBA CC(C)c1ncc(NC(=O)Cc2ccccc2[N+](=O)[O-])cn1 358443750 LPWRCLOBDXSNHT-UHFFFAOYSA-N 300.318 2.689 5 50 DFBA Cc1cc(CNc2ccc([N+](=O)[O-])cn2)cc(N2CCCC2)n1 291203139 UOPAROBIAPJOFZ-UHFFFAOYSA-N 313.361 2.906 5 50 DFBA CCn1ccc(CN(C)C(=O)c2cccc(C)c2[N+](=O)[O-])c1 170611357 IZBKCODNLCIIMB-UHFFFAOYSA-N 301.346 2.997 5 50 DFBA CC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 129197 ALJJEAXKNBHDFT-UHFFFAOYSA-N 314.297 2.815 5 50 DFBA Cc1c(CC(=O)O[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] 170617290 XFRGOAVZYIWLBK-VBNZEHGJSA-N 319.357 2.802 5 50 DFBA CCCn1nccc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 191036786 WKRUJFZFBIMOQX-UHFFFAOYSA-N 318.333 2.771 5 50 DFBA C[C@@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 254663 ONJRUVTXHXNRLN-NSHDSACASA-N 310.309 2.822 5 50 DFBA CC1=CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 230809187 YJGWKXLXJAROKD-UHFFFAOYSA-N 316.766 2.589 5 50 DFBA CCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 272843 BXKYWLZPCZKQHS-UHFFFAOYSA-N 320.370 2.806 5 50 DFBA O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCc2ccccc21 2566394 NLNPUCUKRQGUPF-UHFFFAOYSA-N 313.269 2.706 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccccc1 3876421 XFVZCEQEQMVDSY-UHFFFAOYSA-N 306.343 2.845 5 50 DFBA C[C@@H](O)C[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] 225728064 KQTJIJUTSSGTBU-ZIAGYGMSSA-N 308.378 2.599 5 50 DFBA O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)cc(Cl)c1 371277 PKMRWBPQIKTAOB-UHFFFAOYSA-N 315.116 2.737 5 50 DFBA O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 371478 BTWQFHQNADKGLG-UHFFFAOYSA-N 303.245 2.774 5 50 DFBA Cc1ccc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)cc1C 2878156 UZKUQTSFPZDPCB-UHFFFAOYSA-N 302.334 2.827 5 50 DFBA CC(C)(C)[C@@H]1CCC[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] 413572468 IJSRMCWZJVDOKL-MNOVXSKESA-N 306.366 2.715 5 50 DFBA COCCC1(CNC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 888093325 QUYOJRNZBBTSKR-UHFFFAOYSA-N 323.349 2.542 5 50 DFBA COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])cc1)NCC2 19228459 GITFNMZGMQLGOX-KRWDZBQOSA-N 314.341 2.847 5 50 DFBA biogenic Cc1nn([C@@H](C)C(=O)N2CCc3ccccc32)c(C)c1[N+](=O)[O-] 1069255 MBNLMEFDTDUAQC-LBPRGKRZSA-N 314.345 2.558 5 50 DFBA Cc1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1[N+](=O)[O-] 101899878 PFVMRCJKUNJOLH-MPKXVKKWSA-N 300.314 2.605 5 50 DFBA Cc1cc(NC(=O)N2CCC([C@H](C)O)CC2)ccc1[N+](=O)[O-] 170083233 RXKVDTXRUNVTAB-NSHDSACASA-N 307.350 2.528 5 50 DFBA O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)Nc1cc[nH]n1 192293259 AVHWTGWVSIXIIA-UHFFFAOYSA-N 315.211 2.981 5 50 DFBA Cc1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)no1 2874825 AXLWIYPYUKGWPA-UHFFFAOYSA-N 307.331 2.763 5 50 DFBA O=[N+]([O-])c1ccc(CSc2nnnn2-c2ccccc2)cc1 93182 XINSQOLXINNYJA-UHFFFAOYSA-N 313.342 2.863 5 50 DFBA Cc1c(NC(=O)NCCO[C@H]2CCCCO2)cccc1[N+](=O)[O-] 585086499 QRNSKDPUNVJVRK-AWEZNQCLSA-N 323.349 2.568 5 50 DFBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccncc1 159969300 XTUZGCFERMEPPT-CYBMUJFWSA-N 313.313 2.673 5 50 DFBA O=C1O[C@@H](/C(=C\NCc2ccccc2)[N+](=O)[O-])c2ccccc21 3041899 KXJOBJRRNMJBIW-RBFDBLARSA-N 310.309 2.806 5 50 DFBA Cc1nn(C)c(NCc2nc(-c3cccs3)c[nH]2)c1[N+](=O)[O-] 225533101 KETYMIAKVYNGNI-UHFFFAOYSA-N 318.362 2.700 5 50 DFBA CCCCOCCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 2990069 QNKNAANNIGXEKS-CMDGGOBGSA-N 306.362 2.931 5 50 DFBA O=C(Nc1cccc2[nH]cnc12)c1ccc([N+](=O)[O-])cc1F 126042829 MDYCRZQWJOMLNZ-UHFFFAOYSA-N 300.249 2.863 5 50 DFBA C[C@H](C1CC1)n1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cn1 189976103 FYAMDYAEUQHNQA-SECBINFHSA-N 315.333 2.597 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C)CC1 176384 JYABFGYXSIARFO-UHFFFAOYSA-N 321.377 2.664 5 50 DFBA CC/C=C(\C)C(=O)N(C)CCN(C)c1nccc(C)c1[N+](=O)[O-] 1105341865 HKFUGDQCXDCNCZ-NTUHNPAUSA-N 320.393 2.549 5 50 DFBA CCN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 272552 UNCKFYGLTOYWNU-UHFFFAOYSA-N 306.343 2.810 5 50 DFBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F 310152 NKHBDQKZWCZVAQ-UHFFFAOYSA-N 308.240 2.891 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)C(Cl)(Cl)Cl 442249 VFSMLGUQNZEOFH-UHFFFAOYSA-N 313.524 2.912 5 50 DFBA CCn1c([C@H](C)Nc2ncc([N+](=O)[O-])cn2)nc2ccccc21 162151557 GMACYXHRGYRHNU-JTQLQIEISA-N 312.333 2.928 5 50 DFBA CO[C@@H](C(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 182394179 SJUYCIBCBKYZAG-MRXNPFEDSA-N 312.325 2.872 5 50 DFBA CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1ccccc1 952888239 PGQGWJBRQZSRNE-LBPRGKRZSA-N 300.318 2.541 5 50 DFBA CN(C)c1cnn(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 408518563 NULFPTXTCKSKDH-UHFFFAOYSA-N 315.377 2.699 5 50 DFBA O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccccc1F 4663366 CKDSNYBMKOKIRU-UHFFFAOYSA-N 303.293 2.576 5 50 DFBA COC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 255449 NNLGAQFWMBZVHH-UHFFFAOYSA-N 314.297 2.942 5 50 DFBA O=[N+]([O-])c1ccccc1CN1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 101790436 HUYZTWXQPXNEDQ-RLFYNMQTSA-N 315.417 2.901 5 50 DFBA Cc1ccc(S(=O)(=O)N(C)c2ccccc2[N+](=O)[O-])cc1 4795989 HCEKZXBXGWJIFU-UHFFFAOYSA-N 306.343 2.728 5 50 DFBA COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1OC 999787 YLWBVXGVIGZBCG-QPJJXVBHSA-N 318.285 2.857 5 50 DFBA O=C1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)O1 4689351 OYIHYMHPICDSDA-CYBMUJFWSA-N 318.329 2.799 5 50 DFBA Cc1nc(C[C@@H]2CCCN(c3cccc(F)c3[N+](=O)[O-])C2)no1 253393331 USXPJEGVZBYLET-NSHDSACASA-N 320.324 2.884 5 50 DFBA CC(C)N(CCCO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 584906630 ICXQOPYYXREYQT-UHFFFAOYSA-N 315.757 2.873 5 50 DFBA COC(=O)c1cc(COc2ccc(N)c([N+](=O)[O-])c2)c(C)s1 225823808 GBZLGYJEEXTHHY-UHFFFAOYSA-N 322.342 2.913 5 50 DFBA CCCCn1ncc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1C 170593233 MAVQLBCGXVESMP-UHFFFAOYSA-N 317.349 2.734 5 50 DFBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)NC1CCCC1 9436665 RZBLTCAXUHCUKK-UHFFFAOYSA-N 320.374 2.622 5 50 DFBA CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 4117522 GKGCLPKLLFABEQ-UHFFFAOYSA-N 316.361 2.552 5 50 DFBA Cc1c([N+](=O)[O-])c(C(=O)NC2CCC(C(C)(C)C)CC2)nn1C 6526673 OMZUBOHMXZDLPW-UHFFFAOYSA-N 322.409 2.971 5 50 DFBA Cc1c(CC(=O)O[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] 170617288 XFRGOAVZYIWLBK-UHOFOFEASA-N 319.357 2.802 5 50 DFBA COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 3833379 GLSXKHHECBQBQX-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA COc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(C)cc2)c1 136825418 ZDDHRNFHTJFSKJ-UHFFFAOYSA-N 321.354 2.886 5 50 DFBA Cc1nc(N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] 408513161 NMWPOAXAHOKXHO-HUUCEWRRSA-N 324.384 2.871 5 50 DFBA CC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 4537877 CUYRWKVBKPOLCO-UHFFFAOYSA-N 313.273 2.833 5 50 DFBA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)cc1[N+](=O)[O-] 229726513 PCFVLLHMHNKALH-OLZOCXBDSA-N 323.780 2.605 5 50 DFBA Cc1cc(C)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 4699119 BGTYFEVAJYDPPT-UHFFFAOYSA-N 318.358 2.732 5 50 DFBA Nc1cc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccn1 225842689 CFLWGTPBLDJRSA-UHFFFAOYSA-N 307.693 2.582 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1 71864479 MNAAPQLWAKMBFX-UHFFFAOYSA-N 321.377 2.960 5 50 DFBA Cc1nc2ccccc2nc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 170614897 NMVFLVMYYMAZRF-UHFFFAOYSA-N 309.329 2.969 5 50 DFBA O=[N+]([O-])c1ccc(/C=C/S(=O)(=O)NNc2ccccc2)cc1 4247134 LMJPMKVQXZXDLT-ZHACJKMWSA-N 319.342 2.512 5 50 DFBA CC(=O)Nc1cccnc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] 188066768 UPEWERKIJQAORR-UHFFFAOYSA-N 314.301 2.509 5 50 DFBA COc1cc(C=O)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 858424 YNXUREOCQPWTGC-UHFFFAOYSA-N 301.254 2.635 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 162749649 RDDOSADXWBWMDF-DOMZBBRYSA-N 319.361 2.982 5 50 DFBA COc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1OC 5006340 ZCKXFQVHIPGHMB-UHFFFAOYSA-N 302.330 2.902 5 50 DFBA Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]1C1CCCCC1 162898117 BNGMFAOQAUORDP-GFCCVEGCSA-N 306.366 2.513 5 50 DFBA CNc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 317627 IJIQHQQPWLJKTR-UHFFFAOYSA-N 314.297 2.676 5 50 DFBA COc1cccc(CNCc2ccccc2[N+](=O)[O-])c1OC 19720717 VACIXSHMJXMUJO-UHFFFAOYSA-N 302.330 2.902 5 50 DFBA COc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1OC 2543482 RDEJEIGCUKHTTK-UHFFFAOYSA-N 316.313 2.542 5 50 DFBA COc1ccccc1N1CCN(Cc2ccc([N+](=O)[O-])o2)CC1 293804 UXQVDBIICRZWGB-UHFFFAOYSA-N 317.345 2.519 5 50 DFBA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 101366476 RWCBIWIPRCRLLY-WVATUKLVSA-N 324.336 2.853 5 50 DFBA C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1 55425600 WTVGZZNFMMZVQM-SJKOYZFVSA-N 314.341 2.913 5 50 DFBA CCCCN(CC)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 2989974 PZBUDLLPZHXILM-UHFFFAOYSA-N 310.350 2.874 5 50 DFBA CCOc1cc(C(=O)OC)c([N+](=O)[O-])c(OCC)c1OCC 34929006 JTOUBRGMBGEYAA-UHFFFAOYSA-N 313.306 2.578 5 50 DFBA COc1ccc2c(c1)c1ccnc3c4cnccc4c(=O)n2c13 1875387928 FQNHVYOUXXYDMI-UHFFFAOYSA-N 301.305 2.996 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccs1 5060501 LMPINGKFLKGMJS-UHFFFAOYSA-N 307.331 2.987 5 50 DFBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 4688088 FEHLFVSATNKRHU-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA CCN(CC)CCNc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] 4343989 MMMNHKQXMQPHPZ-UHFFFAOYSA-N 316.745 2.910 5 50 DFBA COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 103241 RJLDBASZYLNRED-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA Cc1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] 230090862 VZKORYQDEILDLM-HIFRSBDPSA-N 308.403 2.610 5 50 DFBA CCCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1C(C)C 6400402 RUOZIMGDGZTEPY-UHFFFAOYSA-N 310.383 2.666 5 50 DFBA O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2c2ccn[nH]2)cc1 240412653 FNOUMEGQBXGWKL-OAHLLOKOSA-N 302.334 2.534 5 50 DFBA Cc1ccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1Cl 1428827 DSMARNSSVLVUAE-UHFFFAOYSA-N 308.725 2.700 5 50 DFBA CCn1ncc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C 476647 QIKBFNFDROQUQO-UHFFFAOYSA-N 322.752 2.703 5 50 DFBA CC(=O)c1ccc(NCCc2c(C)n[nH]c2C)c([N+](=O)[O-])c1 408522869 MVCXQOSTPHCLTA-UHFFFAOYSA-N 302.334 2.792 5 50 DFBA Cc1ccc([N+](=O)[O-])c(NC2CCN(c3ncccn3)CC2)c1 756116098 IOTIJLZXPPQESJ-UHFFFAOYSA-N 313.361 2.774 5 50 DFBA O=[N+]([O-])c1c(NCc2ccn3ccnc3c2)nc2ccccn12 761932624 OHSPKUSFNXNQOO-UHFFFAOYSA-N 308.301 2.502 5 50 DFBA CSc1ccccc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 196118 MGHPUZVGTIZFEH-UHFFFAOYSA-N 320.374 2.769 5 50 DFBA COc1ccc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc1 1401612 DKIVFRDBWNYZHI-UHFFFAOYSA-N 300.314 2.767 5 50 DFBA COc1ccccc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 4842323 FSEPGODPRCPXIX-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA CC1(C)CC(NC(=O)c2ccccc2[N+](=O)[O-])CC(C)(C)N1 5020914 VKHUIRKXZBCVSU-UHFFFAOYSA-N 305.378 2.634 5 50 DFBA COc1ccc(CCNCc2cccc([N+](=O)[O-])c2)cc1OC 19720897 LFIIBBZUZRUCNF-UHFFFAOYSA-N 316.357 2.944 5 50 DFBA CCOC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 225534957 LKBKQJZQKYINNI-GFCCVEGCSA-N 320.345 2.577 5 50 DFBA COC(=O)CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3884350 ICGWUJJQMFOXOL-UHFFFAOYSA-N 306.240 2.979 5 50 DFBA O=C(NCC1(C2CC2)CC1)N1CCc2c(cccc2[N+](=O)[O-])C1 126122747 YWBNZLORBNBYIU-UHFFFAOYSA-N 315.373 2.853 5 50 DFBA CN(C)c1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 170599376 OXIMJEGAKIKSHN-UHFFFAOYSA-N 315.329 2.643 5 50 DFBA O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccccc1F 4663403 CXTVIGPDAONJNQ-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc2c(c1)NC(=O)CO2 195508242 MXRXKBLCJRFPII-SSDOTTSWSA-N 320.330 2.555 5 50 DFBA C[C@H]1CN(CCCCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 16488809 CEIWJETVRNDVMY-OKILXGFUSA-N 308.378 2.863 5 50 DFBA C[S@](=O)(=NC(=O)[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 1615588812 SLFSGWPJXMEHHX-WSVYEEACSA-N 308.359 2.934 5 50 DFBA COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 2851623 JUMDBKRGSDAKOM-UHFFFAOYSA-N 316.269 2.584 5 50 DFBA CCCc1cc(=O)[nH]c(SCc2ccc([N+](=O)[O-])cc2)n1 11443619 BKKZSCBHDDDWES-UHFFFAOYSA-N 305.359 2.923 5 50 DFBA C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 15637166 WARJEQFOTAACKB-UMVBOHGHSA-N 308.378 2.597 5 50 DFBA CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(C)cc2)n1 1002231 RMHXIBOKPFXVNR-LLVKDONJSA-N 302.334 2.611 5 50 DFBA CS[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 117426985 ASVYBVDMANILKP-MNOVXSKESA-N 310.375 2.704 5 50 DFBA C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2ncccc2[N+](=O)[O-])C1 253426408 OEJDBCAIJIXZJF-COMQUAJESA-N 305.378 2.756 5 50 DFBA C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2CC[C@H]1C2 240742301 AQKNLGBDGIBTME-OXJKWZBOSA-N 324.402 2.698 5 50 DFBA O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] 226646 KXWXZODUCRLBBZ-UHFFFAOYSA-N 300.270 2.618 5 50 DFBA Cc1nn(C[C@H](C)C(=O)Nc2cccc(F)c2)c(C)c1[N+](=O)[O-] 2795455 DCKQJZQWDSOETR-VIFPVBQESA-N 320.324 2.822 5 50 DFBA O=[N+]([O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1N1CCCC1 269340990 KOLRHZLNDJCRJL-UHFFFAOYSA-N 306.322 2.703 5 50 DFBA Cc1cc(N2CCN(Cc3cncs3)CC2)ccc1[N+](=O)[O-] 585132767 UFXQXSFTLUJOEY-UHFFFAOYSA-N 318.402 2.682 5 50 DFBA CCOC(=O)CCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2134159 BBHYSQUKBGECNL-UHFFFAOYSA-N 300.698 2.530 5 50 DFBA CCc1[nH]nc(-c2nc(-c3cccc(OC)c3)no2)c1[N+](=O)[O-] 225631503 QJESLCUKEUPPOE-UHFFFAOYSA-N 315.289 2.606 5 50 DFBA COc1ccc(/C=C2\N=C(c3ccccc3[N+](=O)[O-])OC2=O)cc1 308584 QNXPGAWFXJFCFM-UVTDQMKNSA-N 324.292 2.948 5 50 DFBA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 4856754 JSZAXVISTMGEKV-BMIGLBTASA-N 314.297 2.762 5 50 DFBA O=C(O)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F 183288 LNHZPZDHDXOGFA-UHFFFAOYSA-N 304.233 2.684 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C=O)cc1 283732 HBGWJCMBUZZPHV-UHFFFAOYSA-N 314.297 2.733 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1 4844534 LOXWLEGVCPSHOT-UHFFFAOYSA-N 306.343 2.728 5 50 DFBA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 4856753 JSZAXVISTMGEKV-ZUZCIYMTSA-N 314.297 2.762 5 50 DFBA Cc1cc(NC[C@@H](C)[S@@](C)=O)c2cc([N+](=O)[O-])ccc2n1 167396175 QTKFEFXNYUDKGZ-UZJPJQLHSA-N 307.375 2.630 5 50 DFBA CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc([N+](=O)[O-])c1 2381569 VSSDZTCJXHBUGF-LLVKDONJSA-N 310.306 2.635 5 50 DFBA in-vitro CCCCN(CC)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 2989416 XEMMRYHRVCYRLC-UHFFFAOYSA-N 308.334 2.644 5 50 DFBA O=[N+]([O-])c1cc2c(cc1CNCCc1cccc(F)c1)OCO2 19841298 FTYFQSXNVVVSHF-UHFFFAOYSA-N 318.304 2.795 5 50 DFBA CCC[C@H](C)N1Cc2cccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2C1 241837489 SKNUYERSJJXHNK-DETPVDSQSA-N 317.389 2.795 5 50 DFBA COC(=O)c1cc(OCc2ccccc2)c(OC)cc1[N+](=O)[O-] 71787963 SHQBNKDRVJNGDX-UHFFFAOYSA-N 317.297 2.969 5 50 DFBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCc1ccccn1 191403038 JKOAWFGEUCRPJR-UHFFFAOYSA-N 314.345 2.971 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CCCCC1 6682078 YLPBSJODJKEXIY-UHFFFAOYSA-N 312.391 2.856 5 50 DFBA O=[N+]([O-])c1cccnc1N1CCC[C@](CO)(c2ccccc2)C1 240551586 GUUOXDYVNIGCLU-KRWDZBQOSA-N 313.357 2.520 5 50 DFBA CC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 230542784 FKJQCCWDMCDXPQ-UHFFFAOYSA-N 300.156 2.989 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4628583 BJSZGKKHYSIDSO-NEPJUHHUSA-N 306.318 2.733 5 50 DFBA C[C@H](Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccn1 585118928 IVIDQZIVYJVZAP-MRVPVSSYSA-N 311.139 2.753 5 50 DFBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc(Cl)ccc1O 439380 OKCGLUQCIATLTQ-UHFFFAOYSA-N 318.672 2.754 5 50 DFBA CC(C)c1ccc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 2772016 BWCSMDKOVRJZTA-GFCCVEGCSA-N 316.361 2.792 5 50 DFBA O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(Cl)cc(Cl)c1 1067945 RIICAKYROIVOTR-UHFFFAOYSA-N 315.116 2.737 5 50 DFBA O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 101920 ZXSLLJMVQPTDDM-UHFFFAOYSA-N 311.341 2.557 5 50 DFBA O=C(C[C@@H](O)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 158121 QDCBBMRUVZXVHD-SECBINFHSA-N 312.536 2.899 5 50 DFBA O=[N+]([O-])c1ccc(Oc2ncnc3ccsc23)cc1CO 343227076 MZUJKGDMBXXRPJ-UHFFFAOYSA-N 303.299 2.884 5 50 DFBA COc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 190188 JYBSLFSMYDFXSZ-UHFFFAOYSA-N 316.269 2.554 5 50 DFBA O=[N+]([O-])c1ccc(NC(=S)N[C@@H](CO)c2ccccc2)cc1 4052448 NECULEPDWKBUOF-AWEZNQCLSA-N 317.370 2.615 5 50 DFBA CC(C)(C)OC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 75629374 GTGIZVUOLBRDAO-UHFFFAOYSA-N 307.350 2.652 5 50 DFBA in-vitro O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccc3)CC2)s1 237046 GVRDXGPVYIZUBU-UHFFFAOYSA-N 317.414 2.974 5 50 DFBA Cc1ccc(F)cc1NC(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1 2795635 FUMPIGJTQPQJEV-JTQLQIEISA-N 306.297 2.514 5 50 DFBA Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)NC1CCCCCC1 2787729 ZLMOUQUKDBAFBT-LLVKDONJSA-N 308.382 2.575 5 50 DFBA O=[N+]([O-])c1cnc(N[C@H]2CCN(CC(F)(F)F)C2)c(Cl)c1 301278610 MYESFRBYUFRGMP-ZETCQYMHSA-N 324.690 2.692 5 50 DFBA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1 2578576 JLVLDNCAYKCLCI-NSHDSACASA-N 310.306 2.635 5 50 DFBA CC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 22781800 OAZTWXGUSUNZJW-IXDOHACOSA-N 318.373 2.809 5 50 DFBA CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc2nsnc12 1616037458 LJBDTOOWFHOSHX-UHFFFAOYSA-N 318.362 2.736 5 50 DFBA Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 4697861 BYFPTNLDTVYEBS-UHFFFAOYSA-N 310.306 2.843 5 50 DFBA C[C@@H](c1ccccn1)N(C)C(=O)c1cccc([N+](=O)[O-])c1O 130454210 KMTJRMKXBAWNMG-JTQLQIEISA-N 301.302 2.529 5 50 DFBA CCO[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2O)C1(C)C 158657401 JVDBQHBLHIEIRE-STQMWFEESA-N 322.361 2.576 5 50 DFBA O=C(Nc1ccc2oc(=O)ccc2c1)c1cccc([N+](=O)[O-])c1 289173 GAEMMSPKQONUAG-UHFFFAOYSA-N 310.265 2.954 5 50 DFBA CCc1cnccc1[C@@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] 354516319 SRLCNJXTAGPVRG-SNVBAGLBSA-N 314.345 2.625 5 50 DFBA COc1cc([N+](=O)[O-])cc(Cl)c1I 216842405 YFQZMJAAEXBXAP-UHFFFAOYSA-N 313.478 2.861 5 50 DFBA O=[N+]([O-])c1c(N2CCCC[C@H]2c2ncc[nH]2)nc2ccccn12 225452399 AJXSIZBJEYVPOZ-NSHDSACASA-N 312.333 2.697 5 50 DFBA CCN1CCCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 320687800 MGTAHCTWMVNLCI-GFCCVEGCSA-N 305.378 2.718 5 50 DFBA CN1CCc2ncnc(Oc3cc(Cl)ccc3[N+](=O)[O-])c2C1 253396876 ZNQOETFLJGNUTQ-UHFFFAOYSA-N 320.736 2.818 5 50 DFBA CCOc1ccc(C(=O)Nc2cccc(C)n2)cc1[N+](=O)[O-] 97590 RRVRUYQJCJUQMY-UHFFFAOYSA-N 301.302 2.949 5 50 DFBA CC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 353887 KEMLYJWTBFYUFP-UHFFFAOYSA-N 310.265 2.598 5 50 DFBA O=[N+]([O-])c1ccc(NC(=S)N[C@H](CO)c2ccccc2)cc1 4052447 NECULEPDWKBUOF-CQSZACIVSA-N 317.370 2.615 5 50 DFBA O=C(COc1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1 38564 HULZOGAIIIXOPX-UHFFFAOYSA-N 304.346 2.980 5 50 DFBA CNc1ccc(CNc2ccc3oc(=O)[nH]c3c2)cc1[N+](=O)[O-] 170606936 BPUPOGXUWBAFFJ-UHFFFAOYSA-N 314.301 2.683 5 50 DFBA CCn1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1 2767650 UYWBDRKFODFBST-UHFFFAOYSA-N 322.752 2.703 5 50 DFBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1Sc1ccccn1 4187999 GSLQKMWETAUABR-UHFFFAOYSA-N 316.386 2.551 5 50 DFBA Cn1cnnc1Sc1cc(N2CCCCC2)ccc1[N+](=O)[O-] 4117400 KHQUNLWVDQABPL-UHFFFAOYSA-N 319.390 2.865 5 50 DFBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCS[C@H]2CCCC[C@H]21 119159785 OSOYSUSQTRFCFK-RISCZKNCSA-N 322.386 2.801 5 50 DFBA COC(=O)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 4845854 GNIFJBHOASPOMF-ZDUSSCGKSA-N 306.318 2.513 5 50 DFBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 5068832 NSPPABOGLBTHMO-UHFFFAOYSA-N 314.269 2.674 5 50 DFBA CCCN(CCC)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 445175 KNAUBPPLGLJHNQ-UHFFFAOYSA-N 310.350 2.874 5 50 DFBA O=C(COc1ccc(Cl)cc1Cl)n1cc([N+](=O)[O-])cn1 445891 AKHLZVFDVPPPAL-UHFFFAOYSA-N 316.100 2.817 5 50 DFBA COc1cccc(N2CCC[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] 185351496 LXIBTMHPYNCABA-LBPRGKRZSA-N 302.334 2.678 5 50 DFBA COc1cccc(OC)c1C(=O)Nc1cccc([N+](=O)[O-])c1 255493 NMHQOIDMTOTDCI-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccccc1 3880692 FCKGXEVHAIHNPA-UHFFFAOYSA-N 301.327 2.722 5 50 DFBA CCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 364483 DMLXSDZXXYRPTA-UHFFFAOYSA-N 306.343 2.958 5 50 DFBA C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 4816421 PHQCDSJVIWPYTB-LLVKDONJSA-N 306.343 2.634 5 50 DFBA Cn1cc(C[C@@H]2CCC[C@@H]2Nc2ccc([N+](=O)[O-])cn2)cn1 585098826 FLJJOYNZNNTIGO-JSGCOSHPSA-N 301.350 2.547 5 50 DFBA CC(=O)S[C@H](C[N+](=O)[O-])c1cn(C(C)=O)c2ccccc12 481045 HUTFFQPOGUXDQI-CQSZACIVSA-N 306.343 2.899 5 50 DFBA aggregator O=[N+]([O-])c1ccc(Cn2nnnc2Sc2ccccc2)cc1 1058596 MBNXODOTKVBANC-UHFFFAOYSA-N 313.342 2.781 5 50 DFBA Cc1nc(N2CCC(C)CC2)nc(N2CCCC2)c1[N+](=O)[O-] 4949290 ZKAVVGTUJHFZLX-UHFFFAOYSA-N 305.382 2.530 5 50 DFBA CC(C)N(CCO)CC1CCN(c2ccccc2[N+](=O)[O-])CC1 952848886 KVBFAEBUNIICLP-UHFFFAOYSA-N 321.421 2.514 5 50 DFBA C[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 280638115 XYTOTLYQOYDGIE-IOASZLSFSA-N 306.362 2.536 5 50 DFBA Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 614206 YGSSHPSVVCMZMS-UHFFFAOYSA-N 310.306 2.843 5 50 DFBA CCOC(=O)c1cc(C(C)(C)C)nn1-c1ncccc1[N+](=O)[O-] 170403 AZRQJKDJUDMPDX-UHFFFAOYSA-N 318.333 2.650 5 50 DFBA Cc1noc([C@H]2CCCN(c3cccc(F)c3[N+](=O)[O-])C2)n1 264942072 SFIRKPVPFTTZHB-JTQLQIEISA-N 306.297 2.809 5 50 DFBA O=C1CC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 396753133 WQSUMPSSWPTQNJ-VIFPVBQESA-N 317.267 2.694 5 50 DFBA COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 184111 JARPGGVAOKWKES-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA Cc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 120509 JPRUSVVGPCANJQ-UHFFFAOYSA-N 324.340 2.752 5 50 DFBA aggregator CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 4986589 RWECPDTUBHTUJG-UHFFFAOYSA-N 301.346 2.602 5 50 DFBA O=[N+]([O-])c1ccccc1CN1CC[C@H](CNc2ccccn2)C1 160903813 HTDZSJPFZBFULJ-CQSZACIVSA-N 312.373 2.924 5 50 DFBA O=C(O)c1cc([N+](=O)[O-])c(Br)cc1Br 575694964 NSCXDORRNNSMPO-UHFFFAOYSA-N 324.912 2.818 5 50 DFBA CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4052819 MGYCIJUTYLUYJM-UHFFFAOYSA-N 307.350 2.652 5 50 DFBA in-vitro Cc1ccc(NC(=O)C(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 1908409 OIJYMCUAWGVEBY-UHFFFAOYSA-N 312.325 2.962 5 50 DFBA CO[C@H](C(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 182396780 XTQNGGYVUGMEOJ-HNNXBMFYSA-N 300.314 2.945 5 50 DFBA CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 1750473 HEIFWSRFRSDNHE-UHFFFAOYSA-N 307.306 2.908 5 50 DFBA CCCO[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1 134180933 RNKCXJCFFOFUKN-LBPRGKRZSA-N 322.361 2.722 5 50 DFBA C[C@H]1CN(CCCCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 20652506 CEIWJETVRNDVMY-KBPBESRZSA-N 308.378 2.863 5 50 DFBA CCn1ncc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C 372992 NZRDMUUAKDZYLM-UHFFFAOYSA-N 322.752 2.703 5 50 DFBA O=Cc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1882406 KDQKDSREODHDJL-UHFFFAOYSA-N 316.225 2.535 5 50 DFBA COc1cc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)ccn1 225816724 JHSWCQBUGJAYAC-UHFFFAOYSA-N 301.302 2.813 5 50 DFBA Cc1cc(=O)n(Cc2cccc([N+](=O)[O-])c2)cc1Br 193095579 BIKYEHIZDRRXAP-UHFFFAOYSA-N 323.146 2.876 5 50 DFBA NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 433635 IYSZPCJMYWCGCJ-UHFFFAOYSA-N 319.704 2.599 5 50 DFBA COc1ccc(CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 447421 NTYXWMLMWUORLB-UHFFFAOYSA-N 314.341 2.884 5 50 DFBA O=[N+]([O-])c1ccsc1N1CCC[C@H](NCC(F)(F)F)C1 1615586761 YIXJOZFXMWCDLS-QMMMGPOBSA-N 309.313 2.777 5 50 DFBA C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@]2(CCOC2)C1 280638111 XYTOTLYQOYDGIE-DVOMOZLQSA-N 306.362 2.536 5 50 DFBA CCOc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1[N+](=O)[O-] 310856 ATRNYFLRUNAPLO-UHFFFAOYSA-N 316.317 2.653 5 50 DFBA COc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC 13942630 MHAZJPMWLRZBQZ-PHIMTYICSA-N 322.361 2.730 5 50 DFBA Cc1cc(N2C[C@@H](O)C[C@H]2C)c(Br)cc1[N+](=O)[O-] 384929474 HAOXIAPBKGNYAH-BDAKNGLRSA-N 315.167 2.625 5 50 DFBA O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(O)cc1O 2556279 VCSSZOJJYHKTRY-UHFFFAOYSA-N 303.270 2.527 5 50 DFBA in-vitro O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1[C@@H]1CCCO1 375914877 UWVYYYIBXNAQML-KGLIPLIRSA-N 308.309 2.518 5 50 DFBA CCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)[C@H](C)c1cccnc1 170077708 CWXHDVPFQOZYHN-LLVKDONJSA-N 315.329 2.919 5 50 DFBA O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1cccs1 4104333 KMPLPMUWMSJPBW-UHFFFAOYSA-N 307.356 2.783 5 50 DFBA Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc2ccccc12 4846075 FVOPHDACMHUAEY-UHFFFAOYSA-N 310.313 2.892 5 50 DFBA O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 104132833 WTURDKFQNAEAJK-UHFFFAOYSA-N 314.253 2.959 5 50 DFBA C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc2c(c1)OCCO2 195506204 XXNTYGDRNVTTFT-MRVPVSSYSA-N 307.331 2.996 5 50 DFBA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 4901875 BNTBMODNVKLBDI-NXEZZACHSA-N 324.720 2.854 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1ncc[nH]1 253423013 UCMVHVGVKBMJSS-CYBMUJFWSA-N 300.318 2.604 5 50 DFBA CCn1c(=N)n(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 22146238 LDWPPOJNWJTTAL-UHFFFAOYSA-N 324.340 2.733 5 50 DFBA O=[N+]([O-])c1cc(Br)c(F)c(Br)c1O 74937732 RXWWMSAGGZRKHF-UHFFFAOYSA-N 314.892 2.965 5 50 DFBA in-vitro COCc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccc1F 166118574 PCMWMUGXSRQYHY-UHFFFAOYSA-N 320.276 2.838 5 50 DFBA O=C(O)c1cc(-c2ccc(F)c(C(=O)O)c2)cc([N+](=O)[O-])c1 85477151 CKJZZCYBUBGGBB-UHFFFAOYSA-N 305.217 2.797 5 50 DFBA in-vitro Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 474607 SHPFPSQVEMSVLF-UHFFFAOYSA-N 310.306 2.843 5 50 DFBA Cc1nc(Oc2ccc(Cl)cc2[N+](=O)[O-])nc(N(C)C)n1 489552058 SBFJZUILMLSTGJ-UHFFFAOYSA-N 309.713 2.600 5 50 DFBA Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 437609 PGBICDFQBJOJBV-UHFFFAOYSA-N 300.270 2.884 5 50 DFBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 2173309 JEVCKQDMAJETNN-UHFFFAOYSA-N 302.242 2.860 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C(C)(C)C)CC1 4740914 XHKJXEDREWLCBO-UHFFFAOYSA-N 305.378 2.598 5 50 DFBA O=[N+]([O-])c1ccc(N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 101831337 FTJNHFOXZUGEQU-ZQIUZPCESA-N 301.390 2.905 5 50 DFBA Cc1cccnc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104228767 VLKWKVMWHZSUSS-UHFFFAOYSA-N 319.233 2.858 5 50 DFBA Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)cc1[N+](=O)[O-] 225404405 PPITVMRUTRQGLN-NOZJJQNGSA-N 321.333 2.620 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(F)cc1 4614877 FKNRPWVIDZOJAZ-UHFFFAOYSA-N 304.277 2.924 5 50 DFBA Cc1ccccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1O 4953615 BGQDUSINAMQSIQ-UHFFFAOYSA-N 302.286 2.626 5 50 DFBA O=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)c1ccccc1 100721505 UHTZVMZSJBNZNV-UHFFFAOYSA-N 309.281 2.669 5 50 DFBA Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2[nH]nc(C)c2c1 194487638 VTFMPTJIKQLRJU-UHFFFAOYSA-N 311.301 2.735 5 50 DFBA CCCOc1ccccc1[C@H]1NC(=O)NC(CC)=C1[N+](=O)[O-] 4256015 NOXNYQQSICCZOR-CYBMUJFWSA-N 305.334 2.728 5 50 DFBA CCC[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4707043 XBFHQRPHUWLZKV-ZDUSSCGKSA-N 305.378 2.680 5 50 DFBA CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccccc1[N+](=O)[O-] 237060802 PTOGWEHFZLOMOT-UHFFFAOYSA-N 314.297 2.565 5 50 DFBA COc1ccc([N+](=O)[O-])c(CC(=O)NCCC2=CCCC2)c1F 408520944 CKQVCOSBHKPHQT-UHFFFAOYSA-N 322.336 2.902 5 50 DFBA CN(C)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 225591536 VVAINVCJVVCPPI-UHFFFAOYSA-N 311.301 2.773 5 50 DFBA O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CN1c1ccccc1 346252304 QGBLASDJZYSJHC-AWEZNQCLSA-N 301.277 2.561 5 50 DFBA O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCCO1 180910723 VVMHKYKKULZKTB-UHFFFAOYSA-N 315.123 2.525 5 50 DFBA C[C@H]1C[C@H](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 273144749 KUGASBDXLMPFTM-QWHCGFSZSA-N 321.377 2.599 5 50 DFBA COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)O 4845937 ZHASBSKAVORXGD-UHFFFAOYSA-N 316.269 2.554 5 50 DFBA COc1ccc(C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] 341786 LAKKUADRGMIXHN-UHFFFAOYSA-N 300.314 2.576 5 50 DFBA COc1ccc(NC(=O)COc2ccc(C)cc2)c([N+](=O)[O-])c1 4610879 PKLYMPNIYRYBAS-UHFFFAOYSA-N 316.313 2.929 5 50 DFBA CC(C)[C@@H]1C[C@H](N2CCCC2)CN1c1ncccc1[N+](=O)[O-] 1616035778 GPBRVDLHNDRFPX-ZFWWWQNUSA-N 304.394 2.689 5 50 DFBA COc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 2762310 ICQIHBOCZGRXAR-UHFFFAOYSA-N 315.281 2.643 5 50 DFBA COC(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 8205383 JDYXZKJWEWAYSN-UHFFFAOYSA-N 324.145 2.954 5 50 DFBA CCOC(=O)c1ccnc(N[C@H](C)c2ccncc2)c1[N+](=O)[O-] 193375172 OHTFUDXJOCVBLI-SNVBAGLBSA-N 316.317 2.735 5 50 DFBA COc1ccccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] 4037631 PPXXZNSEQFWACF-UHFFFAOYSA-N 302.286 2.621 5 50 DFBA O=[N+]([O-])c1cnn(Cc2ncc(C(F)(F)F)cc2Cl)c1 263639927 OSSIPXZXCSRWGG-UHFFFAOYSA-N 306.631 2.907 5 50 DFBA O=C(O)c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1Cl 549758 IHCIDVJWUUWQIX-UHFFFAOYSA-N 316.100 2.845 5 50 DFBA COC(=O)c1cc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)s1 116879242 ZDDUVANGKSMLPR-UHFFFAOYSA-N 302.308 2.790 5 50 DFBA C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N[C@H]3[C@@H](CO)[C@H]1C[C@H]42 252461222 LKZQOCJBJKPRFV-TVDZHETGSA-N 311.449 2.526 5 50 DFBA biogenic COc1cc(C=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 4269666 DPYKDLGCJXVBIJ-UHFFFAOYSA-N 301.254 2.635 5 50 DFBA biogenic COc1ccc(CNc2ccc([N+](=O)[O-])c3nonc23)cc1 4284442 IENONFJSMWUIQQ-UHFFFAOYSA-N 300.274 2.752 5 50 DFBA O=[N+]([O-])Cc1nnc(C(F)(F)F)n1-c1ccc(Cl)cc1 3015721 SEDUULYYRVLXMT-UHFFFAOYSA-N 306.631 2.716 5 50 DFBA O=[N+]([O-])c1ccc(N2CNC(c3ccccc3)=NC2=S)cc1 4133833 JGJUTKOIDKWNMM-UHFFFAOYSA-N 312.354 2.694 5 50 DFBA O=[N+]([O-])c1ccccc1OCCCCCCN1CCOCC1 19607298 XDRMJUPHGIGASJ-UHFFFAOYSA-N 308.378 2.866 5 50 DFBA Nc1cc2[nH]c3ccccc3c2n(-c2ccc([N+](=O)[O-])cc2)c1=O 1423188 UZQSRJJJSNZUML-UHFFFAOYSA-N 320.308 2.962 5 50 DFBA O=C(c1ccc([N+](=O)[O-])s1)N1CCSc2ccncc21 125053043 GCJUAMKZJKYTEI-UHFFFAOYSA-N 307.356 2.804 5 50 DFBA O=C(NCc1cccnc1)Nc1ccc([N+](=O)[O-])cc1Cl 5224219 JOHREKALFAXVGF-UHFFFAOYSA-N 306.709 2.965 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCO[C@H](C2CC2)C1 162749799 RDDOSADXWBWMDF-WFASDCNBSA-N 319.361 2.982 5 50 DFBA CC(C)OC(=O)CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3878519 MPXRMKKYPJBPAK-UHFFFAOYSA-N 311.294 2.647 5 50 DFBA O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1F 4704178 PVERIQLAEBEQMX-UHFFFAOYSA-N 317.320 2.966 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 100970823 RSZNGXXWPZTSKB-NWDGAFQWSA-N 320.732 2.925 5 50 DFBA Cc1cc(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)on1 194608204 TYTDUZOLDHZBBD-UHFFFAOYSA-N 311.681 2.562 5 50 DFBA O=C(Nc1ccc2oc(=O)ccc2c1)c1ccccc1[N+](=O)[O-] 557667 FMUSFBFRBAAJOQ-UHFFFAOYSA-N 310.265 2.954 5 50 DFBA O=C(NCc1ccc(O)c([N+](=O)[O-])c1)c1cc2ccsc2[nH]1 2325862779 IKUMHOKRFTVKPX-UHFFFAOYSA-N 317.326 2.773 5 50 DFBA O=C(CSc1ccncc1)OCc1ccc([N+](=O)[O-])cc1 88351 CYHZPSOHMGMIFH-UHFFFAOYSA-N 304.327 2.825 5 50 DFBA CCOC(=O)C1=C(C)N=C(N)S[C@@H]1c1cccc([N+](=O)[O-])c1 96028227 OKUPRIZZYZRSEN-GFCCVEGCSA-N 321.358 2.535 5 50 DFBA C[C@@H]1C[C@H](C(=O)Nc2c(F)cc([N+](=O)[O-])cc2F)CCC1=O 1775993538 FBNFBZXRZIQUFW-HTQZYQBOSA-N 312.272 2.817 5 50 DFBA CC[N+](CC)(CC)CCOCCOCC[N+](CC)(CC)CC 4566444 DJARVNBNZWWZBW-UHFFFAOYSA-N 318.546 2.773 5 50 DFBA CCCC(=O)c1ccc(/C=C/N2CCOCC2)c([N+](=O)[O-])c1 54104418 UTZLXKKIANBWSG-VOTSOKGWSA-N 304.346 2.881 5 50 DFBA O=[N+]([O-])c1ccc(CO[C@@H]2C[C@@H]3[C@@H]4C=C[C@H]4[C@H]23)c([N+](=O)[O-])c1 247342402 SREHYKGRATYLGD-FWZIUSJTSA-N 302.286 2.840 5 50 DFBA COc1ccc(CC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 4947335 SOBTWQGDBJPRRN-UHFFFAOYSA-N 316.313 2.793 5 50 DFBA CS[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 117426982 ASVYBVDMANILKP-GHMZBOCLSA-N 310.375 2.704 5 50 DFBA O=[N+]([O-])c1ccc(N2CCN(Cc3cccs3)CC2)cc1 19536607 MHFUDBXSURVACJ-UHFFFAOYSA-N 303.387 2.979 5 50 DFBA Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 4007792 MREYKGOTNISNEI-UHFFFAOYSA-N 301.346 2.818 5 50 DFBA CCOc1ccc(NC(=O)c2cn(CC)nc2C)c([N+](=O)[O-])c1 5658929 MIEFKODHWYWTMJ-UHFFFAOYSA-N 318.333 2.771 5 50 DFBA O=C(Nc1nc(-c2ccccc2)cs1)c1n[nH]cc1[N+](=O)[O-] 6448857 MGGMKLYCNDBGEM-UHFFFAOYSA-N 315.314 2.694 5 50 DFBA CC(C)c1nccn1CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 123552615 TXCCMDQPAWBBFZ-UHFFFAOYSA-N 306.297 2.693 5 50 DFBA O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2ccc(F)cc2)c1 4616463 NCIKRZGFPUKLJD-UHFFFAOYSA-N 314.269 2.674 5 50 DFBA COC(=O)c1cccc(Oc2ccc(C=O)cc2[N+](=O)[O-])c1 168420 DRKPDPYIKLBLRR-UHFFFAOYSA-N 301.254 2.986 5 50 DFBA O=[N+]([O-])c1cc2c(cc1CNCCc1ccccc1)OCO2 19720810 YKARHSLPTXGTHZ-UHFFFAOYSA-N 300.314 2.656 5 50 DFBA Cc1ccnc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 104228781 IVDDDIXVWUACJE-UHFFFAOYSA-N 319.233 2.858 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1ncc[nH]1 253423019 UCMVHVGVKBMJSS-ZDUSSCGKSA-N 300.318 2.604 5 50 DFBA Cc1ccnc(N2CC[C@@]3(CNc4ccccc43)C2)c1[N+](=O)[O-] 585079510 KHXCHNFTUGLBOS-QGZVFWFLSA-N 310.357 2.872 5 50 DFBA CC(=O)Oc1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 4845636 VLEXSJLSHPYWBV-UHFFFAOYSA-N 300.270 2.772 5 50 DFBA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C=C[C@H]2C1 100184252 KAHSFYVVEJYGAL-XMUKKISLSA-N 318.716 2.560 5 50 DFBA O=[N+]([O-])c1ccc(N2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 100416716 ADAVWKHTULDOQU-HRCADAONSA-N 313.401 2.929 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1c(C)nn(C)c1C 162788672 PBVCGYORDUNVGR-UHFFFAOYSA-N 317.349 2.575 5 50 DFBA O=[N+]([O-])c1ccc([C@@H]2CN[C@@H](c3ccc4c(c3)OCO4)O2)cc1 19333105 MILBSLMMVSWOBR-JKSUJKDBSA-N 314.297 2.683 5 50 DFBA O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1[C@@H]2c3ccccc3C[C@H]21 127206447 BFTVFQNTJUSQCG-ZTFGCOKTSA-N 308.337 2.592 5 50 DFBA CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1c(C)noc1C 170605165 TZHZOQIFFBYIRE-ZDUSSCGKSA-N 318.333 2.663 5 50 DFBA CCOC(=O)CN(C)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1165345 SFAQFHNYJAOCAG-UHFFFAOYSA-N 321.358 2.718 5 50 DFBA COC(=O)c1sccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 2872623 ZTOGCPFQGBKKIC-UHFFFAOYSA-N 320.326 2.624 5 50 DFBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2O)c([N+](=O)[O-])c1 104228813 SZULRCKZZUDMGB-UHFFFAOYSA-N 320.217 2.860 5 50 DFBA Cc1nc([N+](=O)[O-])cn1CC(=O)C12CC3CC(CC(C3)C1)C2 3833454 DVGOFAXESZWSNM-UHFFFAOYSA-N 303.362 2.885 5 50 DFBA C[C@@H]1CN(CCCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 20167305 CUQDRTOJGDTTBS-ZIAGYGMSSA-N 308.378 2.863 5 50 DFBA COc1ccc(-n2nc(C(=O)O)c3ccc([N+](=O)[O-])cc32)cc1 4344103 GSASPBUVPSJLLB-UHFFFAOYSA-N 313.269 2.641 5 50 DFBA O=C(O)c1ccccc1Nc1ccc([N+](=O)[O-])c2nonc12 3879015 OQGYGSMIHWVJIQ-UHFFFAOYSA-N 300.230 2.573 5 50 DFBA Cc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] 617215 AGXASINVAPJMLH-UHFFFAOYSA-N 314.297 2.927 5 50 DFBA Cc1cc(N[C@@H]2CCC[C@@H]2CN)c2cccc([N+](=O)[O-])c2n1 420197655 MHVOSCXHSBLDMH-DGCLKSJQSA-N 300.362 2.991 5 50 DFBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3149742 MIOZEVVUBICFAX-UHFFFAOYSA-N 317.257 2.764 5 50 DFBA biogenic COc1c(OCc2ccccc2)ccc(C(=O)O)c1[N+](=O)[O-] 95093043 AWQSWWDWMMXFIH-UHFFFAOYSA-N 303.270 2.881 5 50 DFBA COc1ccc(Cn2ncc(Br)c2[N+](=O)[O-])cc1 95704759 FLPJFPVRSKLNCE-UHFFFAOYSA-N 312.123 2.611 5 50 DFBA O=[N+]([O-])c1ccc(CCN2CCO[C@H](c3nccs3)C2)cc1 195521786 LGQBGPAOGSRYCY-AWEZNQCLSA-N 319.386 2.667 5 50 DFBA Cc1nn(C)c(C)c1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 5041720 VUYASPKHKAGYIC-UHFFFAOYSA-N 317.349 2.609 5 50 DFBA CC[C@@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCO1 421969608 PGOHSKFILVQHST-GHMZBOCLSA-N 317.345 2.764 5 50 DFBA CCCOc1cccc(Cn2cc([N+](=O)[O-])c(C)cc2=O)c1 253425631 VKFHAXDAAPMGGK-UHFFFAOYSA-N 302.330 2.902 5 50 DFBA CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] 137056968 XDZHCDRZZAEMRZ-AWEZNQCLSA-N 302.334 2.787 5 50 DFBA O=[N+]([O-])c1ccnn1CCOc1ccccc1Br 158654483 DCAPZFNWVQGGLK-UHFFFAOYSA-N 312.123 2.633 5 50 DFBA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc([N+](=O)[O-])cc1 2572732 HTDDLFNQWIQXQX-LLVKDONJSA-N 324.333 2.505 5 50 DFBA C[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 5672797 DYHFYNXLBFTXSD-MWLCHTKSSA-N 307.306 2.812 5 50 DFBA O=[N+]([O-])c1cc(F)c(Cl)cc1NCC1(CO)CCOCC1 328597447 HKDOMMBFKTZERG-UHFFFAOYSA-N 318.732 2.588 5 50 DFBA CC(=O)c1ccc(N2CCC3(CCN(C)CC3)C2)c([N+](=O)[O-])c1 408518784 ZVEAZEQKBQSJSC-UHFFFAOYSA-N 317.389 2.720 5 50 DFBA Cc1c(CN[C@H](C)[C@H](C)Cc2ccccc2[N+](=O)[O-])cnn1C 225514649 OPPUMFRGTYRZIZ-CHWSQXEVSA-N 316.405 2.994 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)N1CCCCC1 6700978 WWOPETRTJJCLKD-UHFFFAOYSA-N 319.361 2.634 5 50 DFBA O=[N+]([O-])c1cc(Br)c(F)cc1OC[C@H]1CCOC1 225625345 QOFGGBKTQPPCEQ-ZETCQYMHSA-N 320.114 2.912 5 50 DFBA O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CCCCCF 240707738 HQHAVASBAZYAJT-UHFFFAOYSA-N 305.309 2.958 5 50 DFBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCO1 1055562 BIZHZBXYHAROST-GFCCVEGCSA-N 319.342 2.836 5 50 DFBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1F 4561497 VMIWELHCIBDUFF-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA O=C(NCCNc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 4093662 BSZNGSAPJQOMID-UHFFFAOYSA-N 309.709 2.683 5 50 DFBA Cc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C(=O)O)cc1[N+](=O)[O-] 225404449 PPITVMRUTRQGLN-TVQRCGJNSA-N 321.333 2.620 5 50 DFBA O=[N+]([O-])c1ccc(NCc2n[nH]c3c2COCC3)c(Cl)c1 1775998977 NGTHZLHVPYAOOA-UHFFFAOYSA-N 308.725 2.656 5 50 DFBA CC(=O)N(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4800275 OCANCWSATLTZRM-UHFFFAOYSA-N 307.184 2.505 5 50 DFBA CCc1nn(C)c(N(C)C[C@H](C)c2nccs2)c1[N+](=O)[O-] 302165317 OPMYPYAIDSOXPH-VIFPVBQESA-N 309.395 2.587 5 50 DFBA Cn1cnc([N+](=O)[O-])c1N1CC[C@H](C(F)(F)F)C(C)(C)C1 408324173 IZVMWCCTVDQJIB-QMMMGPOBSA-N 306.288 2.743 5 50 DFBA CN(C)CC[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 904217710 NTRZYNCCCKEHOS-ZDUSSCGKSA-N 314.389 2.921 5 50 DFBA O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)c1csc2ccccc12 194539820 WBBVXIVQYZWQFZ-UHFFFAOYSA-N 314.322 2.854 5 50 DFBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OCCO2 462156 XGHKZYBUOLPQDC-UHFFFAOYSA-N 314.297 2.547 5 50 DFBA COc1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1OC 2736403 WIJWFALYXHXVTI-UHFFFAOYSA-N 302.330 2.902 5 50 DFBA Cc1cccc(NC(=O)c2ccc(NCCN)c([N+](=O)[O-])c2)c1 4984039 MAKHZTIVNWWWHC-UHFFFAOYSA-N 314.345 2.526 5 50 DFBA CN(C)CCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 23280636 ZLJAHMORDWHVQT-UHFFFAOYSA-N 303.362 2.848 5 50 DFBA CC(C)Oc1cc(NCCNc2ccn(C)n2)ccc1[N+](=O)[O-] 225811942 PWZCIWHCHGOSMO-UHFFFAOYSA-N 319.365 2.640 5 50 DFBA COC(=O)Cc1c(Br)cc(Cl)cc1[N+](=O)[O-] 309169235 KXKABFPQAPNFRP-UHFFFAOYSA-N 308.515 2.726 5 50 DFBA O=[N+]([O-])c1nn(CCN2CCC[C@H]2c2ccccn2)cc1Cl 585133876 YOZIWPPEGUHLOZ-ZDUSSCGKSA-N 321.768 2.677 5 50 DFBA CC(C)(C)[C@H]1CCC[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] 413572900 IJSRMCWZJVDOKL-WDEREUQCSA-N 306.366 2.715 5 50 DFBA Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 1070100 TYXJOSFDMZVFLV-SECBINFHSA-N 308.725 2.953 5 50 DFBA Cc1ccccc1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 4598882 BNPJIKRNRUKNAD-UHFFFAOYSA-N 320.370 2.690 5 50 DFBA CCC(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4800272 VKJJHWLGXLJIDO-UHFFFAOYSA-N 307.184 2.870 5 50 DFBA O=C(NC1CCCC1)c1ccc2nc3ccccc3c(=O)n2c1 248506 JDMKZOHEDKWDOB-UHFFFAOYSA-N 307.353 2.520 5 50 DFBA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 55543457 JZPGKOUDIBJEAH-HNNXBMFYSA-N 319.405 2.675 5 50 DFBA Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 192488185 JWSAHBUWMKBSJX-OCCSQVGLSA-N 304.346 2.591 5 50 DFBA CCSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 2754716 PWLZGGVFIUIUNR-UHFFFAOYSA-N 310.360 2.811 5 50 DFBA CCCc1[nH]nc(C(=O)Nc2ccc(Cl)cc2O)c1[N+](=O)[O-] 153637279 XDZMHZBJYLBADD-UHFFFAOYSA-N 324.724 2.882 5 50 DFBA O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc[nH]3)C2)c2ccncc12 241644338 PPZWCGKZDFOZGB-LLVKDONJSA-N 324.344 2.645 5 50 DFBA CN1CCC(Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 408523284 ILECDECWEMOHPZ-UHFFFAOYSA-N 321.768 2.698 5 50 DFBA CCc1cc(C(=O)COc2ccccc2[N+](=O)[O-])c(O)cc1O 569897 LUFQOMWNJSMSMQ-UHFFFAOYSA-N 317.297 2.830 5 50 DFBA Cc1nc(NCCCCc2ccnc(N)c2)ccc1[N+](=O)[O-] 952993752 QNEBBEZBQFMFGR-UHFFFAOYSA-N 301.350 2.710 5 50 DFBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccncc1 191391193 NSSVLHATXSAELF-UHFFFAOYSA-N 300.318 2.928 5 50 DFBA O=[N+]([O-])c1ccccc1CSc1nnnn1-c1ccccc1 446431 CXJAWYMBVQGLTA-UHFFFAOYSA-N 313.342 2.863 5 50 DFBA O=[N+]([O-])c1ccc(Nc2ccc(N3CCOCC3)cc2)nc1 4091973 YPNZABNSQGNJRP-UHFFFAOYSA-N 300.318 2.570 5 50 DFBA O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](O)c1ccc(F)cc1 153575139 GDQWYUUXUYMDRX-GFCCVEGCSA-N 311.700 2.928 5 50 DFBA Cc1cc(=O)oc(C)c1C(=O)OCc1cccc([N+](=O)[O-])c1 466899 MOAHRJZJGJYJFO-UHFFFAOYSA-N 303.270 2.522 5 50 DFBA Cc1cc(CN(C=O)CCc2ccc([N+](=O)[O-])cc2)cc(C)n1 1875325287 KZDHVZUOIVYFIN-UHFFFAOYSA-N 313.357 2.808 5 50 DFBA CC(=O)N1c2ccccc2C(=O)O[C@H]1c1cccc([N+](=O)[O-])c1 5329231 VWXWXJUHOCXMFZ-HNNXBMFYSA-N 312.281 2.817 5 50 DFBA O=C(O[C@H]1[C@H]2CC[C@H]2[C@H]2C[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71785313 MRHJYWPULMAEJR-ITGHMWBKSA-N 318.285 2.704 5 50 DFBA COC(=O)c1cnc(/C=C/c2ccc(O)c([N+](=O)[O-])c2)s1 169970518 MIESPNCEVXQLPK-HWKANZROSA-N 306.299 2.714 5 50 DFBA Cc1cnn([C@@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])C2)c1 193415635 KSSNHYLCYSJNKP-CYBMUJFWSA-N 301.350 2.523 5 50 DFBA C/C(=C\c1oc2ccc(O)cc2c1[N+](=O)[O-])NCCCC(=O)O 101125148 FCNCQTRUJNCCGE-VQHVLOKHSA-N 320.301 2.862 5 50 DFBA CCC[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCC1 413449989 HANJZTJRPWNTAA-GFCCVEGCSA-N 306.366 2.860 5 50 DFBA Cc1cccc(C(Br)(Br)[N+](=O)[O-])n1 19877918 XXJZGHJIFMRWJW-UHFFFAOYSA-N 309.945 2.567 5 50 DFBA C/C=C1/C[N@+]2(C)CC[C@]34c5ccccc5N[C@@H]3[C@H](CO)[C@H]1C[C@H]42 253487523 LKZQOCJBJKPRFV-TWPAKARHSA-N 311.449 2.526 5 50 DFBA COc1ccc2c(c1)c1ccnc3c4ncccc4c(=O)n2c13 1875388211 RCIQNDAZTINZRA-UHFFFAOYSA-N 301.305 2.996 5 50 DFBA O=C(Nc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 147006 FMDJDYPHUALRGG-UHFFFAOYSA-N 300.270 2.618 5 50 DFBA CC[C@@H]1CCCCN1C(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C 196072 ITIGKKSMCMUWRE-SNVBAGLBSA-N 314.773 2.544 5 50 DFBA Cc1nn(CC(=O)Nc2ccc3c(c2)CCC3)c(C)c1[N+](=O)[O-] 1002628 YXRPWNXLZHYCCQ-UHFFFAOYSA-N 314.345 2.536 5 50 DFBA Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)n1 128735040 RNEGQBPTZYMQOS-UHFFFAOYSA-N 321.358 2.716 5 50 DFBA Cc1cc(NC(=O)N2CCC([C@@H](C)O)CC2)ccc1[N+](=O)[O-] 170083230 RXKVDTXRUNVTAB-LLVKDONJSA-N 307.350 2.528 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 100970812 RSZNGXXWPZTSKB-NEPJUHHUSA-N 320.732 2.925 5 50 DFBA CCCCOCCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2739590 DJOBVIZUONPYKM-UHFFFAOYSA-N 310.350 2.540 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 100185341 BPBSXZMLLWDWFB-LWWSYDQCSA-N 312.325 2.605 5 50 DFBA CCOc1ccc([C@@H](C)N[C@@H]2C[C@H]3CC[C@H]2O3)cc1[N+](=O)[O-] 110700623 SDQPJUKQBKKKCD-BPGGGUHBSA-N 306.362 2.964 5 50 DFBA O=[N+]([O-])c1nn(CCN2CCC[C@@H]2c2ccccn2)cc1Cl 585133875 YOZIWPPEGUHLOZ-CYBMUJFWSA-N 321.768 2.677 5 50 DFBA CC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 38524 CHSJTWXTOFPZCE-UHFFFAOYSA-N 314.297 2.815 5 50 DFBA O=C(O)c1cccc(Nc2ccc3nonc3c2[N+](=O)[O-])c1 3879034 TWWAXCDHNOXHEL-UHFFFAOYSA-N 300.230 2.573 5 50 DFBA Cc1cc(Cn2ccnc2)c(C)c([N+](=O)[O-])c1Cn1ccnc1 499622 DLENMQKOYIQQQV-UHFFFAOYSA-N 311.345 2.701 5 50 DFBA O=C(NCc1ccc(Cl)cc1)c1n[nH]c([N+](=O)[O-])c1Cl 4631372 APWLSOMMVQHYQM-UHFFFAOYSA-N 315.116 2.555 5 50 DFBA in-vitro C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N[C@H]3[C@H](CO)[C@H]1C[C@H]42 2084292161 LKZQOCJBJKPRFV-UXSUZFCCSA-N 311.449 2.526 5 50 DFBA Cc1nc(NC(=O)COc2ccccc2[N+](=O)[O-])sc1C 1916436 PLTUOFDLUIVPMH-UHFFFAOYSA-N 307.331 2.686 5 50 DFBA COc1ccc(C(=O)N[C@H](C)Cc2ccccc2)cc1[N+](=O)[O-] 459111 QPMCCOZFWNKLKB-GFCCVEGCSA-N 314.341 2.964 5 50 DFBA O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCC(F)(F)CC1 341536638 ZJZRXASNBYUDNL-UHFFFAOYSA-N 314.288 2.668 5 50 DFBA Cc1nnc2nc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)[nH]n12 36434 QLNAGQQYAALZDD-UHFFFAOYSA-N 313.104 2.643 5 50 DFBA O=C(CCc1ccccc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 249018 GTWBRKGVDSGPPK-UHFFFAOYSA-N 313.309 2.954 5 50 DFBA COc1ccc(CNCc2ccccc2[N+](=O)[O-])c(OC)c1 293245 USDIOMGBGZMUMJ-UHFFFAOYSA-N 302.330 2.902 5 50 DFBA Cc1cc(N[C@@H]2CC[C@H](CN)C2)c2cccc([N+](=O)[O-])c2n1 420265650 FBGBKYJJSBFDBG-NWDGAFQWSA-N 300.362 2.991 5 50 DFBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1O 5059831 SVOJDAYCMFLNEE-UHFFFAOYSA-N 322.704 2.971 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1cncc(F)c1 153779761 YJFWYTNDRPNMRU-UHFFFAOYSA-N 319.292 2.709 5 50 DFBA O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1[C@H]1CCCO1 375914881 UWVYYYIBXNAQML-ZIAGYGMSSA-N 308.309 2.518 5 50 DFBA Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] 245226849 OJTCDNPDVDMLQF-GBOPCIDUSA-N 324.336 2.605 5 50 DFBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 331120 JNIOMEAOLVFYHH-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA biogenic Cc1cc(F)ccc1NC(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1 2795401 OYUCNJGFJJKAHE-JTQLQIEISA-N 306.297 2.514 5 50 DFBA Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(F)F)c1 170595073 NOMMDGYYQBJYSI-UHFFFAOYSA-N 308.244 2.762 5 50 DFBA O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1c1ccccn1 169961766 GTUALHDEDCDTOK-CYBMUJFWSA-N 313.313 2.673 5 50 DFBA Cc1ccc(OCCOCCN2CCCCC2)c([N+](=O)[O-])c1 3003103 OXXSJBCHVAFLJF-UHFFFAOYSA-N 308.378 2.785 5 50 DFBA O=[N+]([O-])c1ccc(NC(=S)NCCc2ccccn2)cc1 4677217 NRQBOMBGBRVCJF-UHFFFAOYSA-N 302.359 2.519 5 50 DFBA COc1ccccc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 445592 CQSDEWVJTANYJV-DHZHZOJOSA-N 312.325 2.933 5 50 DFBA COc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC 5094228 YKUWJBVKDPQVKZ-UHFFFAOYSA-N 316.313 2.793 5 50 DFBA COc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC 461820 UIMKXJFQUVRHNQ-UHFFFAOYSA-N 316.313 2.793 5 50 DFBA Cc1cccc(C(=O)NCc2nccn2CC(C)C)c1[N+](=O)[O-] 131043382 HUVCXVMLVGNOLK-UHFFFAOYSA-N 316.361 2.686 5 50 DFBA Cc1cccc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)n1 6659438 QFWZGMFNODPWKO-UHFFFAOYSA-N 317.349 2.530 5 50 DFBA O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 100416707 ADAVWKHTULDOQU-JYJNAYRXSA-N 313.401 2.929 5 50 DFBA O=C(NC1CCCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1749501 JOYLSSQWYVHPNI-UHFFFAOYSA-N 307.306 2.956 5 50 DFBA O=C(NCc1ccc2ncccc2c1)Nc1ccncc1[N+](=O)[O-] 193874842 VXVZRVOOFZXXTI-UHFFFAOYSA-N 323.312 2.860 5 50 DFBA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 270699 NPOLYOHVBVYDHZ-VXGBXAGGSA-N 306.705 2.617 5 50 DFBA Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccccc2Cl)n1C 1423993 MDLUAXCQYACJNQ-UHFFFAOYSA-N 309.709 2.647 5 50 DFBA Cn1ccnc1N1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 253433026 QXFUPDRNPOPSKX-UHFFFAOYSA-N 319.340 2.548 5 50 DFBA C[N+]1([C@@H]2C[C@@]3(CO2)CO[C@@H]([N+]2(C)CCCCC2)C3)CCCCC1 247646579 KMITYZUNBIKINZ-CEXWTWQISA-N 324.509 2.727 5 50 DFBA COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OC(C)=O 280699 XIEMIDLVCHFBSY-ONEGZZNKSA-N 316.107 2.630 5 50 DFBA COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc(C=O)cc1 3883988 WERIKBPHHNHSCC-UHFFFAOYSA-N 315.281 2.773 5 50 DFBA O=[N+]([O-])c1ccc(N2CCC(CO)CC2)c(C(F)(F)F)c1 40453016 DIQPKHHZALRRSC-UHFFFAOYSA-N 304.268 2.822 5 50 DFBA COC(=O)c1ccc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 97756997 IGXVZOSCBHZDHZ-UHFFFAOYSA-N 315.281 2.835 5 50 DFBA O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1cccs1 174111 GNCCAPYMWBZDRO-UHFFFAOYSA-N 307.356 2.783 5 50 DFBA COc1nn(Cc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-] 4840694 ILBPBVFXYKQTLG-UHFFFAOYSA-N 323.177 2.544 5 50 DFBA O=C(O[C@H]1[C@H]2C[C@@H]2[C@H]2CC[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 103904575 MRHJYWPULMAEJR-MQLXINIDSA-N 318.285 2.704 5 50 DFBA CC[C@H](c1ccncc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 132214796 YYRRWDCBDMEINC-CYBMUJFWSA-N 315.329 2.919 5 50 DFBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccnc1 65303 OKCIRKIMGXRDJV-UHFFFAOYSA-N 300.299 2.852 5 50 DFBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]2CCCC[C@H]21 159458399 ZQWRPVSMOXIPJB-CHWSQXEVSA-N 324.402 2.938 5 50 DFBA CCc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 473565 CBDQJUUHMZJVQA-UHFFFAOYSA-N 306.343 2.958 5 50 DFBA COc1cccc(N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[N+](=O)[O-] 249289417 JZZSTXNLNHOWBP-TZMCWYRMSA-N 316.361 2.887 5 50 DFBA O=C1NC(c2ccccc2)=C([N+](=O)[O-])[C@@H](c2cccc(F)c2)N1 460357 LWXZMAJWWGKMNT-CQSZACIVSA-N 313.288 2.825 5 50 DFBA COc1ccc(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])cc1 189923 CXLUKGYIQDHCDW-UHFFFAOYSA-N 316.269 2.554 5 50 DFBA Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)cccc1[N+](=O)[O-] 4754991 VXISKLHXHQCDNB-UHFFFAOYSA-N 319.405 2.942 5 50 DFBA CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C 4919239 TXVYYJOFBITQPZ-NSHDSACASA-N 309.341 2.571 5 50 DFBA O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc([N+](=O)[O-])c(Cl)c1 139671505 VEWMXTIUTVJXKX-CMPLNLGQSA-N 312.753 2.529 5 50 DFBA O=[N+]([O-])c1ccc(CN2CCCN(c3nccs3)CC2)cc1 299254665 ULLLVKRRPPJONQ-UHFFFAOYSA-N 318.402 2.764 5 50 DFBA O=[N+]([O-])c1ccc(-c2nccn2C[C@@H](O)CC(F)(F)F)cc1 189359739 HWIMXLCJCQNTNN-NSHDSACASA-N 315.251 2.772 5 50 DFBA CCOc1ccc(C(=O)Nc2ccccc2O)cc1[N+](=O)[O-] 449848 JCYQPMHJRIDCNC-UHFFFAOYSA-N 302.286 2.951 5 50 DFBA COc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 4843180 QYGAMZXXSYZMCM-UHFFFAOYSA-N 302.286 2.864 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)OC(C)(C)C1 162847411 MPUNJBDKBGXHFN-NSHDSACASA-N 307.350 2.934 5 50 DFBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cn1 170965 LPCJFSTYXKCZDU-UHFFFAOYSA-N 307.693 2.661 5 50 DFBA CC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 6856600 HFHBTHIQCKLBSF-UHFFFAOYSA-N 320.326 2.598 5 50 DFBA C[C@H](OC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1ccc(OC(F)F)cc1 240668069 HMDWLQHPEJXKDE-BKDNQFJXSA-N 301.245 2.557 5 50 DFBA Cn1c(=O)c([N+](=O)[O-])c(N2CCCCCC2)c2ccccc21 5022635 GIZFYCDCJSOHTF-UHFFFAOYSA-N 301.346 2.827 5 50 DFBA CC(=O)Nc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 460984 HHCQCHYEEWUTKL-UHFFFAOYSA-N 313.313 2.734 5 50 DFBA O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3904033 KFWDPENVQUYXSR-UHFFFAOYSA-N 311.341 2.557 5 50 DFBA O=c1[nH]c2ccc(CNc3c(F)cc([N+](=O)[O-])cc3F)cc2[nH]1 253426150 BZWBZLYPHGMYTO-UHFFFAOYSA-N 320.255 2.655 5 50 DFBA O=C(Nc1ccc(C(=O)O)cc1)Nc1cccc([N+](=O)[O-])c1 2859191 LHRSFTYNBPGENY-UHFFFAOYSA-N 301.258 2.937 5 50 DFBA O=C(O)[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4724937 VIGYDMAWHBBEIT-VXGBXAGGSA-N 324.720 2.767 5 50 DFBA Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c([N+](=O)[O-])c1 101356461 BVUUQMPZCQAOIE-UOVKNHIHSA-N 312.325 2.605 5 50 DFBA Cc1ccc(F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 7428472 YKYWEFMQSZTRCM-UHFFFAOYSA-N 310.306 2.843 5 50 DFBA O=[N+]([O-])c1ccc([C@H]2CN[C@H](c3ccc4c(c3)OCO4)O2)cc1 19333116 MILBSLMMVSWOBR-CVEARBPZSA-N 314.297 2.683 5 50 DFBA Cc1ccnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1 4841469 PRLUIJVLRDGCJM-UHFFFAOYSA-N 318.358 2.732 5 50 DFBA Cc1c(CN(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1C 2762363 ZGAMYMJJKWWHQT-UHFFFAOYSA-N 322.752 2.562 5 50 DFBA Cc1nccn1C[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] 153903914 BWKFKHHYAWUIAY-GFCCVEGCSA-N 321.768 2.817 5 50 DFBA Cc1c(C(=O)Nc2cccc(C(=O)O)c2)cccc1[N+](=O)[O-] 68359 SFEZYRYSUPDEJL-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA CCN(C1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 6709448 VKDQTOFDPHAGIA-UHFFFAOYSA-N 312.391 2.938 5 50 DFBA COC(=O)c1ccc(OC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2167928 FALXQRPKESPZCR-UHFFFAOYSA-N 316.269 2.992 5 50 DFBA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] 245226851 OJTCDNPDVDMLQF-UXOAXIEHSA-N 324.336 2.605 5 50 DFBA Cc1cc(S(=O)(=O)N2CCCC2(C)C)c([N+](=O)[O-])s1 585115687 OGSIXUXIJAUNNQ-UHFFFAOYSA-N 304.393 2.528 5 50 DFBA COc1c(O)ccc(/C=C2\SC(=S)N=C2O)c1[N+](=O)[O-] 15015751 KYMWKFUCOOTOPD-DAXSKMNVSA-N 312.328 2.638 5 50 DFBA Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cn2)ccc1Cl 5613287 XSNMWHQLVCVAEI-UHFFFAOYSA-N 321.720 2.969 5 50 DFBA C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]2CC[C@H]1C2 251676865 VLEVDZHFFDLMAQ-ASHKBJFXSA-N 324.402 2.698 5 50 DFBA CCC(N)(CC)CNc1ncc([N+](=O)[O-])cc1Br 130079740 XQDXRDGSTPZKQF-UHFFFAOYSA-N 317.187 2.682 5 50 DFBA O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc([N+](=O)[O-])n[nH]1 4809773 CNMVECHPMXVDIJ-UHFFFAOYSA-N 323.312 2.556 5 50 DFBA CCn1ncc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C 372989 CBSZCXQNXCEEBH-UHFFFAOYSA-N 322.752 2.703 5 50 DFBA COc1ccc(NC(=O)COc2ccccc2)c([N+](=O)[O-])c1 3995467 GQNDXTVBFOMSFW-UHFFFAOYSA-N 302.286 2.621 5 50 DFBA CC(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1 1388721 CCWNUWITUBGMQN-UHFFFAOYSA-N 319.338 2.771 5 50 DFBA Cc1cc([N+](=O)[O-])nn1C[C@@H](O)Cc1ccc2ccccc2c1 360686105 PXIQMHJUNVNCPX-INIZCTEOSA-N 311.341 2.857 5 50 DFBA CCc1nn(C)c(N(C)C[C@@H](C)c2nccs2)c1[N+](=O)[O-] 302165316 OPMYPYAIDSOXPH-SECBINFHSA-N 309.395 2.587 5 50 DFBA COc1ccc2c(c1[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)C2 169620348 HYHFWKMCFRRMJV-UHFFFAOYSA-N 308.334 2.897 5 50 DFBA Cc1cc(F)ccc1NC(=O)[C@@H](C)Cn1nc([N+](=O)[O-])cc1C 2788181 OJMJPPIMGGIAQJ-JTQLQIEISA-N 320.324 2.822 5 50 DFBA COc1ccccc1C1=N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O1 4579281 PQQQXERFRLNLLG-UVTDQMKNSA-N 324.292 2.948 5 50 DFBA C[C@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 3896363 WARJEQFOTAACKB-GUTXKFCHSA-N 308.378 2.597 5 50 DFBA O=[N+]([O-])c1c(Nc2ccc3c(c2)OCO3)ccc2nonc12 4116740 BJIUXXQWAKAKNU-UHFFFAOYSA-N 300.230 2.603 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1C[C@H](C)O[C@@H](C)C1 162757430 FPARPEZQRJPBOR-QWRGUYRKSA-N 307.350 2.981 5 50 DFBA CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(C)oc1C 298771480 VVEBKUVTPYMGSQ-UHFFFAOYSA-N 305.290 2.851 5 50 DFBA O=[N+]([O-])c1cc(Cl)ccc1NC[C@H](CO)Cc1cccnc1 408523876 OFBUKWBAXYWFGY-GFCCVEGCSA-N 321.764 2.906 5 50 DFBA Cc1c(Cl)cccc1NC(=O)Cn1cc([N+](=O)[O-])nc1C 3833565 AQXTWBSHAGXHAG-UHFFFAOYSA-N 308.725 2.700 5 50 DFBA COc1ccc([N+](=O)[O-])c(NCc2cnc(Cl)s2)n1 328578196 CRAZQLQJTXQLHW-UHFFFAOYSA-N 300.727 2.720 5 50 DFBA O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 253392789 GINMHFDGYFXFNE-XHDPSFHLSA-N 324.352 2.714 5 50 DFBA CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3879138 KWGDRKJMBQVMNC-UHFFFAOYSA-N 317.261 2.600 5 50 DFBA CSC[C@@H](CCO)N=c1ccc2ccc3cccnc3c2[nH]1 1875294164 BXBXKXLXPHSVAT-CQSZACIVSA-N 313.426 2.731 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSC1=NCCS1 614662 YIFBPMMBENMNTI-UHFFFAOYSA-N 311.388 2.678 5 50 DFBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]2CCCC[C@@H]21 4374833 ZQWRPVSMOXIPJB-STQMWFEESA-N 324.402 2.938 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1cccnc1 13331944 FGKHPCKHYKDJMA-SNVBAGLBSA-N 316.317 2.881 5 50 DFBA CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)[C@@]12CCCO2 273437770 AOUCAIVOXFBSPO-XHSDSOJGSA-N 322.361 2.742 5 50 DFBA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 100072078 RWCBIWIPRCRLLY-HOJOPBEUSA-N 324.336 2.853 5 50 DFBA C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2ncccc2[N+](=O)[O-])C1 253426412 OEJDBCAIJIXZJF-OSFYFWSMSA-N 305.378 2.756 5 50 DFBA Cc1cc(O)nc([C@@H](C)N(C)CCc2ccccc2[N+](=O)[O-])n1 253417257 HLMOCNSNXFTEAZ-GFCCVEGCSA-N 316.361 2.634 5 50 DFBA CCc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c(O)cc1O 569885 WZTVEHWKFICEBT-UHFFFAOYSA-N 317.297 2.830 5 50 DFBA CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1C 4919244 TXVYYJOFBITQPZ-LLVKDONJSA-N 309.341 2.571 5 50 DFBA CC[S@](=O)[C@@H]1CCC[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 267337322 CUCZCIWFWPSAIC-ZSMADZGOSA-N 311.407 2.790 5 50 DFBA Cc1ccnc(NCc2c(C3CCC3)cnn2C)c1[N+](=O)[O-] 585092892 SPEAEWVQRPARKR-UHFFFAOYSA-N 301.350 2.911 5 50 DFBA COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 317120 CZYXTIOQQHAKPF-UHFFFAOYSA-N 314.297 2.942 5 50 DFBA CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1(C)C 119103521 GSEYNALJPIPKPN-XJKSGUPXSA-N 322.361 2.576 5 50 DFBA O=c1oc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2ccccc12 3073195 CGSLGGOWSAQKEA-UHFFFAOYSA-N 313.225 2.671 5 50 DFBA CC(C)(C)C1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 188122161 QZUSXWRYXFQPDA-UHFFFAOYSA-N 307.350 2.594 5 50 DFBA COC(=O)c1ccc([N+](=O)[O-])c(NC2CC(Cl)(Cl)C2)n1 952992534 HVCQGYBFQUWASC-UHFFFAOYSA-N 320.132 2.525 5 50 DFBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)ccc2F)c1 17052652 VFOMVWMXOUDOMK-UHFFFAOYSA-N 314.269 2.674 5 50 DFBA CCOc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2OC)n1 5051428 KCBLWHIHNHYYLM-UHFFFAOYSA-N 304.306 2.844 5 50 DFBA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 100184246 KAHSFYVVEJYGAL-QQXRRDQMSA-N 318.716 2.560 5 50 DFBA O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc([N+](=O)[O-])o1 119029713 RYNXGGJIUDJSNZ-UHFFFAOYSA-N 316.248 2.765 5 50 DFBA C[C@H](O)C[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] 225728042 KQTJIJUTSSGTBU-UONOGXRCSA-N 308.378 2.599 5 50 DFBA O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2=CCCCC2)c1 5028152 DIWFUFFWACFCPL-UHFFFAOYSA-N 310.375 2.764 5 50 DFBA COc1cc([C@@H](O)C[N+](=O)[O-])ccc1OCc1ccccc1 174937 ZKWGZYRJLAOUKD-AWEZNQCLSA-N 303.314 2.584 5 50 DFBA COc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(OC)c1 183896 CLNBCGFCFUSASZ-UHFFFAOYSA-N 316.313 2.793 5 50 DFBA Cc1ccc(NC(=O)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-] 1753781 POULAVWQAGEYSC-UHFFFAOYSA-N 314.301 2.646 5 50 DFBA COC(=O)c1cc([N+](=O)[O-])c(N)c(F)c1Nc1ccccc1 32919260 JQUIVIJMSGIEPL-UHFFFAOYSA-N 305.265 2.846 5 50 DFBA Cc1nccn1C[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 178324972 DQWQUXCPYRLNDP-KRWDZBQOSA-N 314.389 2.807 5 50 DFBA Cc1cc(Cl)c(C(=O)NC[C@H]2CCCOC2)cc1[N+](=O)[O-] 294742526 CMRHFFCDXVUWBI-SNVBAGLBSA-N 312.753 2.713 5 50 DFBA CC(C)[C@@H](Nc1ncc([N+](=O)[O-])s1)c1nnc2ccccn12 241171079 KEAHWVLCHKJQDT-LLVKDONJSA-N 318.362 2.903 5 50 DFBA CC(=O)Nc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 299036 PLFKTRKWYNRAEK-UHFFFAOYSA-N 300.270 2.772 5 50 DFBA CCC(=O)N(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4800277 KYZJZXYTRAOLPH-UHFFFAOYSA-N 321.211 2.895 5 50 DFBA COc1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 4855003 UJCSSTJFXOALLH-UHFFFAOYSA-N 312.123 2.611 5 50 DFBA Cc1nn(C[C@H](O)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-] 360705957 YSPKHMLIPMVLEV-MRXNPFEDSA-N 311.341 2.857 5 50 DFBA CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C 242288004 YKIIOOPNJZXZSB-VCTAVGKDSA-N 308.353 2.979 5 50 DFBA O=C1c2cc([N+](=O)[O-])ccc2[C@@H]2C(=O)c3cc([N+](=O)[O-])ccc3[C@H]12 25760624 BXJKCKOGMALGKM-KBPBESRZSA-N 324.248 2.763 5 50 DFBA Cc1ccc(S(=O)(=O)[N@]2C[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2038855839 KBNDEGGNKFKUEN-HZPDHXFCSA-N 318.354 2.649 5 50 DFBA COC(=O)c1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 3879039 GRMHFTKMDCTXAY-UHFFFAOYSA-N 314.257 2.661 5 50 DFBA CON(Cc1ccccc1)C(=O)c1ccc(O)c([N+](=O)[O-])c1 119779601 ALLGSFZMUCIMSV-UHFFFAOYSA-N 302.286 2.504 5 50 DFBA Cc1ccc([C@@H](C)NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 371809 BFJANAATPYMMKD-LLVKDONJSA-N 316.361 2.594 5 50 DFBA CC1(C)C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)CCO1 160470596 JJSZYPJWPXCEDU-VIFPVBQESA-N 312.753 2.936 5 50 DFBA O=C(NCc1ccc(F)cc1)c1cc([N+](=O)[O-])cc2cn[nH]c12 1422277 JOTAARWDEGQFPR-UHFFFAOYSA-N 314.276 2.540 5 50 DFBA CC(C)OC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 367994 JOKVQEDXDIYWLT-UHFFFAOYSA-N 323.330 2.689 5 50 DFBA COc1ccc(NC(=O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 4598913 NNIIPZMXPASNCJ-UHFFFAOYSA-N 313.524 2.912 5 50 DFBA COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 239653922 BLQLNMFULDYFFU-OWCLPIDISA-N 318.373 2.804 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1C[C@@H](C)O[C@H](C)C1 162757299 FPARPEZQRJPBOR-GHMZBOCLSA-N 307.350 2.981 5 50 DFBA Cc1cc(OCC(=O)N2CCc3ccccc32)ccc1[N+](=O)[O-] 90848 KUZJAKZNWNZRRG-UHFFFAOYSA-N 312.325 2.871 5 50 DFBA O=[N+]([O-])c1ccc(CO[C@@H]2C[C@@H]3[C@@H]4C=C[C@@H]4[C@H]23)c([N+](=O)[O-])c1 247342416 SREHYKGRATYLGD-OGMFBOKVSA-N 302.286 2.840 5 50 DFBA NC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2166302 CKEITYDLUPSCOY-UHFFFAOYSA-N 304.689 2.578 5 50 DFBA COc1ccc(C)cc1NC(=O)c1n[nH]c([N+](=O)[O-])c1Cl 5641504 YSVRCGCAKLUHFK-UHFFFAOYSA-N 310.697 2.541 5 50 DFBA Cc1cc(NC(=O)N(C)CC2(O)CCCC2)ccc1[N+](=O)[O-] 153774920 JIEVABFQCDUBGM-UHFFFAOYSA-N 307.350 2.672 5 50 DFBA COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 4844782 HINMQLGZSUCOMF-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA Cc1[nH]nc(C(=O)N2CCC=C(c3ccccc3)C2)c1[N+](=O)[O-] 285681487 JOKOPRWEKRVDGI-UHFFFAOYSA-N 312.329 2.556 5 50 DFBA CC(C)C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 4687554 QFZDFYNGWHOVTP-UHFFFAOYSA-N 311.769 2.553 5 50 DFBA O=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc21 4051695 AOEXQPICQWPNHX-UHFFFAOYSA-N 316.700 2.978 5 50 DFBA C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)CCCOC1 170613029 RXSCXJHSTAQIHH-INIZCTEOSA-N 315.329 2.898 5 50 DFBA COc1ccc(Cl)cc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 1070508 GWQZWIKXMYWJAO-QMMMGPOBSA-N 324.724 2.653 5 50 DFBA COc1ccc([N+](=O)[O-])cc1NC(=S)NCc1ccco1 4999097 KXFFODBSIUSGIK-UHFFFAOYSA-N 307.331 2.683 5 50 DFBA Cc1cc([N+](=O)[O-])cnc1NC/C=C/CNC(=O)OC(C)(C)C 170594365 LLEURFPLBYNHKX-AATRIKPKSA-N 322.365 2.791 5 50 DFBA O=C(c1cccc([N+](=O)[O-])c1)N1CCn2c1nc1ccccc12 264893 KXSLODJIGUSOIN-UHFFFAOYSA-N 308.297 2.605 5 50 DFBA COC(=O)c1cccc([N+](=O)[O-])c1C(=O)Nc1ccccc1F 452590 FGZQPOSMCJYIAD-UHFFFAOYSA-N 318.260 2.773 5 50 DFBA O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CCCO1 4749807 USNGYBFBWIDIIT-JTQLQIEISA-N 304.224 2.731 5 50 DFBA O=C(OCc1cncs1)c1ccc([N+](=O)[O-])c2cccnc12 122240762 NXKGDZNXDBFCAU-UHFFFAOYSA-N 315.310 2.957 5 50 DFBA O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC2(CCCCC2)C1 174460397 QAUVWKNIGGEYSB-UHFFFAOYSA-N 318.373 2.699 5 50 DFBA CN(C)c1ccccc1N(C)C(=O)c1cccc([N+](=O)[O-])c1O 170603142 JDWUCSRZXTZHKF-UHFFFAOYSA-N 315.329 2.643 5 50 DFBA COc1ccccc1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 610680 QPWPXMRHOLVFLD-UHFFFAOYSA-N 315.329 2.968 5 50 DFBA C[C@H]1CN(CCCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 16247525 CUQDRTOJGDTTBS-OKILXGFUSA-N 308.378 2.863 5 50 DFBA CC(C)(C)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 160085525 MDCWDCRVRGWCDZ-UHFFFAOYSA-N 301.140 2.886 5 50 DFBA CC1=C(C)C[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 100103867 DPEVIVVOLWLMJM-OKILXGFUSA-N 300.314 2.831 5 50 DFBA Cc1nc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)ccc1[N+](=O)[O-] 408513160 NMWPOAXAHOKXHO-GJZGRUSLSA-N 324.384 2.871 5 50 DFBA CCCO[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1 134180762 RNKCXJCFFOFUKN-GFCCVEGCSA-N 322.361 2.722 5 50 DFBA Nc1cc(Br)c(OC(F)(F)F)cc1[N+](=O)[O-] 38537665 SXPYDXMWPDFJSH-UHFFFAOYSA-N 301.018 2.838 5 50 DFBA in-vitro O=[N+]([O-])c1cc(Cl)ccc1N1CCC(Cn2cncn2)CC1 275011700 JLOHKYOYNHMXPO-UHFFFAOYSA-N 321.768 2.756 5 50 DFBA COC(=O)c1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 271855 SQIDPDNSHWTQML-UHFFFAOYSA-N 314.297 2.942 5 50 DFBA Cc1ccc(-n2cnc(N)c2C(=O)c2cccc([N+](=O)[O-])c2)cc1 432205 UIDNEMCOGYVSPM-UHFFFAOYSA-N 322.324 2.902 5 50 DFBA Cn1cc(C[C@H]2CCC[C@@H]2Nc2ccc([N+](=O)[O-])cn2)cn1 585098827 FLJJOYNZNNTIGO-OCCSQVGLSA-N 301.350 2.547 5 50 DFBA C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 70438 WSCNOWZOBPOZJY-GFCCVEGCSA-N 300.314 2.851 5 50 DFBA COc1cc(C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC 445279 KKDMZMRLNGZYHF-UHFFFAOYSA-N 316.313 2.542 5 50 DFBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c1 4834741 UXRMKHHJJPJNBI-UHFFFAOYSA-N 314.269 2.674 5 50 DFBA Cc1cc(C[C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2C)n[nH]1 162744537 GELYBLLLPSDZON-SNVBAGLBSA-N 317.349 2.687 5 50 DFBA CCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4998229 FQWMRBVALHBGGU-UHFFFAOYSA-N 309.341 2.573 5 50 DFBA O=C(O[C@H]1[C@@H]2CC[C@@H]2[C@H]2C[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71785312 MRHJYWPULMAEJR-MRTXSQPYSA-N 318.285 2.704 5 50 DFBA COc1cc(N2CCC(c3ccn[nH]3)CC2)ccc1[N+](=O)[O-] 169999090 QCRUIWVEYALWRT-UHFFFAOYSA-N 302.334 2.711 5 50 DFBA CC(C)(C)c1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1 4223061 ZEFWJJKQVXKTKI-RMKNXTFCSA-N 315.329 2.852 5 50 DFBA COc1cc(C(=O)NC2CCCCC2)c([N+](=O)[O-])cc1OC 445244 GQWSCTJNQYWSIB-UHFFFAOYSA-N 308.334 2.675 5 50 DFBA Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 456784 SCUGKEHHEATUQO-UHFFFAOYSA-N 306.709 2.907 5 50 DFBA CSC[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 292568336 ZTMIYZHKYVHXCQ-SWLSCSKDSA-N 310.419 2.703 5 50 DFBA CCC[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCC1 413449992 HANJZTJRPWNTAA-LBPRGKRZSA-N 306.366 2.860 5 50 DFBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 4013679 YJMGBGAUFCFJGM-UHFFFAOYSA-N 301.327 2.722 5 50 DFBA CC[S@](=O)[C@H]1CCC[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 267337320 CUCZCIWFWPSAIC-OABGYEMISA-N 311.407 2.790 5 50 DFBA CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1cccnc1 408515488 UPPYKDSQLUSRPQ-UHFFFAOYSA-N 315.329 2.730 5 50 DFBA CC1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 4977158 FCVVOLWTLQRZAW-UHFFFAOYSA-N 311.769 2.919 5 50 DFBA O=[N+]([O-])c1ncn(CCOc2cc(Cl)cc(Cl)c2)n1 126520514 KAMGKKWPSQLDSE-UHFFFAOYSA-N 303.105 2.572 5 50 DFBA COc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 441425 QTFKQFREPDUXHK-UHFFFAOYSA-N 315.329 2.922 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccco1 468079 QIQWPRBDWNLCHN-UHFFFAOYSA-N 305.315 2.623 5 50 DFBA COC(=O)c1ccc([N+](=O)[O-])c(OC(=O)c2cccs2)c1 40885 PTCXRDXKUXMXIQ-UHFFFAOYSA-N 307.283 2.662 5 50 DFBA O=C1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 618256051 DTYLLFSCWKJCTD-JLHYYAGUSA-N 308.293 2.942 5 50 DFBA Cc1nonc1OCCCNc1ccc(Cl)cc1[N+](=O)[O-] 4956961 OXOXTTZWHABPKW-UHFFFAOYSA-N 312.713 2.821 5 50 DFBA COc1ccc(C(=O)Nc2nnc(C(C)C)s2)cc1[N+](=O)[O-] 461740 YTBJESANDWUUDL-UHFFFAOYSA-N 322.346 2.831 5 50 DFBA Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 2831433 GAOQUOBRAPBZEP-UHFFFAOYSA-N 315.285 2.741 5 50 DFBA biogenic O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCC2(CCOCC2)[C@H]1O 253392787 GINMHFDGYFXFNE-NHYWBVRUSA-N 324.352 2.714 5 50 DFBA Cc1c(-c2ccccc2)[nH]c(-c2cc([N+](=O)[O-])ccc2O)[n+]1[O-] 5535686 XRXNEVGVXAVRKH-UHFFFAOYSA-N 311.297 2.904 5 50 DFBA Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(F)c(Cl)c1 94168 PZMIBWJFCDVDAY-UHFFFAOYSA-N 312.688 2.531 5 50 DFBA O=C(O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 5024128 WDCNJBCDENQSBI-AWEZNQCLSA-N 314.297 2.541 5 50 DFBA Cc1nn(C)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1C 134075006 XKXWDUWKHOKXSP-UHFFFAOYSA-N 302.334 2.516 5 50 DFBA Cc1c(CN[C@H](C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])cnn1C 225514723 OPPUMFRGTYRZIZ-QWHCGFSZSA-N 316.405 2.994 5 50 DFBA Cc1ccc(NCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 42319 IPZUWPWTGPLWTQ-UHFFFAOYSA-N 311.297 2.569 5 50 DFBA CCN1C2=NC(=O)/C(=C\c3ccc([N+](=O)[O-])o3)N2c2ccccc21 4702183 UUGSGLXVFBYNRO-UKTHLTGXSA-N 324.296 2.771 5 50 DFBA O=C(c1cccc([N+](=O)[O-])c1O)N(Cc1ccncc1)C1CC1 130438012 BSFIDRDNLIUAFL-UHFFFAOYSA-N 313.313 2.500 5 50 DFBA O=[N+]([O-])c1cc(Cl)ccc1N1CCCC[C@H]1c1nc(O)n[nH]1 408523174 HSHMELMLXBIBOH-JTQLQIEISA-N 323.740 2.804 5 50 DFBA CN1C2=NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])N2c2ccccc21 100605951 VGZULOWOKBFDSC-GDNBJRDFSA-N 320.308 2.788 5 50 DFBA O=[N+]([O-])c1cccc2cc(S(=O)(=O)c3ccccc3)cnc12 118274744 SCIJASKGJCBCHE-UHFFFAOYSA-N 314.322 2.976 5 50 DFBA O=C(NC1CCNCC1)c1cc2ccccc2c2cccnc12 262492877 AUNNUHDAVSCJAV-UHFFFAOYSA-N 305.381 2.870 5 50 DFBA CCCCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 2710672 BVWQHGLTAQJPPL-UHFFFAOYSA-N 304.302 2.573 5 50 DFBA CC(=O)N(C[C@H]1CCCN1c1ccccc1[N+](=O)[O-])C1CC1 277580995 BVEOCJRZQZHKPQ-CQSZACIVSA-N 303.362 2.575 5 50 DFBA COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4616908 CNOJKNRLOOHTSZ-UHFFFAOYSA-N 317.257 2.764 5 50 DFBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](O)C2)o1 4985983 SMDREIUPALVXIS-GFCCVEGCSA-N 302.330 2.812 5 50 DFBA O=[N+]([O-])c1ccc2ncc(I)cc2c1 95496004 UUYQWISZDVXBND-UHFFFAOYSA-N 300.055 2.748 5 50 DFBA CCOC(=O)COc1cc(C)c(Br)cc1[N+](=O)[O-] 670421358 QETVKAGDNNYROU-UHFFFAOYSA-N 318.123 2.608 5 50 DFBA Cc1ccc(C(=O)Nc2ccc(OC(C)C)nn2)cc1[N+](=O)[O-] 191308065 PLQGWXIIZZIGCA-UHFFFAOYSA-N 316.317 2.733 5 50 DFBA C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]2CC[C@H]1C2 251676869 VLEVDZHFFDLMAQ-JUFZMCDQSA-N 324.402 2.698 5 50 DFBA CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 97626 DUENIGWFWIKFOX-UHFFFAOYSA-N 312.738 2.914 5 50 DFBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1ccccn1 4107732 IAYPCSTYXNZESK-UHFFFAOYSA-N 317.370 2.978 5 50 DFBA COc1ccccc1Nc1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-] 4321118 LSCUVICJWJSLBF-UHFFFAOYSA-N 320.261 2.659 5 50 DFBA C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCCCCF)C1=O 241775925 RQFCCCRZMXOEKU-OAHLLOKOSA-N 323.324 2.502 5 50 DFBA O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1cccc(F)c1 4599756 MVICNNXTMZDXMA-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA COC(=O)c1cc(C(=O)NC2CCCCCC2)cc([N+](=O)[O-])c1 60832 ZMPUHPFGSYIOJN-UHFFFAOYSA-N 320.345 2.834 5 50 DFBA O=[N+]([O-])c1ccccc1OCCN1CCO[C@@H]2CCCC[C@H]21 230065964 XIXARARHMZHKFX-UKRRQHHQSA-N 306.362 2.617 5 50 DFBA CCOc1ccccc1NC(=O)CCn1nc([N+](=O)[O-])cc1C 374477 KRWNWSZRIWEZOC-UHFFFAOYSA-N 318.333 2.527 5 50 DFBA Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(F)c(Cl)c1 37867311 LWGFWMBNDIRCBV-UHFFFAOYSA-N 312.688 2.531 5 50 DFBA O=[N+]([O-])c1ccc(CN2CC[C@@H](n3cc(C4CC4)nn3)C2)cc1 585133556 LXBNCPGOSFPNIV-OAHLLOKOSA-N 313.361 2.511 5 50 DFBA N=c1c2c(=O)oc3ccccc3c2ccn1CCc1ccccn1 1776111249 IMZVBKWQQIXXCG-UHFFFAOYSA-N 317.348 2.865 5 50 DFBA CCc1nn(C)cc1CN(C)CCc1ccccc1[N+](=O)[O-] 589183963 ZIDYZKLJNNSKBU-UHFFFAOYSA-N 302.378 2.565 5 50 DFBA CCCCC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 4983894 HPYDKCXBJJOXBV-UHFFFAOYSA-N 323.368 2.881 5 50 DFBA O=C(C=C1C=CCC=C1)OCc1cc2c(cc1[N+](=O)[O-])OCO2 2576744 HMGKMQSNIHLXES-UHFFFAOYSA-N 315.281 2.809 5 50 DFBA C[C@H](Nc1ncc([N+](=O)[O-])s1)c1cn(-c2ccccc2)nn1 192491143 JCTRHHCLBVRPES-VIFPVBQESA-N 316.346 2.805 5 50 DFBA Cc1ccnc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1 6391763 CMBMOSOORWNCJN-LLVKDONJSA-N 301.302 2.704 5 50 DFBA COc1ccc(/C=C/[N+](=O)[O-])cc1I 476861 IPZPLTHLJQRFMW-SNAWJCMRSA-N 305.071 2.547 5 50 DFBA CC(C)(C)OC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 21984967 XWWBHMXIEAVTGS-UHFFFAOYSA-N 321.377 2.648 5 50 DFBA in-vitro CC(=O)c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1728601 BQGWQAXVQXVVFH-UHFFFAOYSA-N 321.310 2.565 5 50 DFBA CNc1c([N+](=O)[O-])c(Br)nn1Cc1ccccc1 14007522 BVXQXNZIQJBTFS-UHFFFAOYSA-N 311.139 2.644 5 50 DFBA CSc1ccccc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C 2761653 XUVGADXLFRJUER-UHFFFAOYSA-N 306.347 2.611 5 50 DFBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccncc1 159969423 XTUZGCFERMEPPT-ZDUSSCGKSA-N 313.313 2.673 5 50 DFBA COc1cc2c(c(OC)c1OC)c(=O)oc1cc(O)ccc12 84122 ZUDAYIYMMRPIQK-UHFFFAOYSA-N 302.282 2.678 5 50 DFBA O=C1O[C@H](/C(=C\NCc2ccccc2)[N+](=O)[O-])c2ccccc21 3041902 KXJOBJRRNMJBIW-SFKKXYGYSA-N 310.309 2.806 5 50 DFBA N=C(c1ccccc1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104045512 LQISGCVNMBCMGA-UHFFFAOYSA-N 316.229 2.827 5 50 DFBA Cc1ccc(S(=O)(=O)CC(=O)c2cccc([N+](=O)[O-])c2)cc1 578646 BQBZTQZQGGHIPX-UHFFFAOYSA-N 319.338 2.560 5 50 DFBA COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c[nH]nc2c1 362359442 NRYHAEIFMYRVHS-UHFFFAOYSA-N 312.285 2.732 5 50 DFBA C[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(OC(F)F)cc1 240668071 HMDWLQHPEJXKDE-WHGOUJPWSA-N 301.245 2.557 5 50 DFBA COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccccn1 13744692 QHKJNVUPQFXHHA-JTQLQIEISA-N 316.317 2.881 5 50 DFBA CCOc1ccc(C(=O)NCc2ccccc2)cc1[N+](=O)[O-] 6701155 HAJIXYMQLUSGEH-UHFFFAOYSA-N 300.314 2.924 5 50 DFBA Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1nccs1)C1CC1 170597882 PMAZZKQFRWLENF-LBPRGKRZSA-N 318.358 2.515 5 50 DFBA COc1ccc(-c2nc(NC(C)=O)sc2C)cc1[N+](=O)[O-] 83755 KMVLWNDCBICGRR-UHFFFAOYSA-N 307.331 2.994 5 50 DFBA Cc1nccn1C[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] 153903801 BWKFKHHYAWUIAY-LBPRGKRZSA-N 321.768 2.817 5 50 DFBA O=[N+]([O-])c1cccnc1NCc1noc(-c2cccc(F)c2)n1 170619669 XKOZPHFYQOFLBQ-UHFFFAOYSA-N 315.264 2.791 5 50 DFBA O=c1c2ccccc2c2ccccc2c(=O)n1C[C@H]1CCCO1 110500 TWXNAQPMENKMJN-CYBMUJFWSA-N 307.349 2.694 5 50 DFBA CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCn2cc(C)nc21 253427768 AMXUHAYAFFTXNJ-LBPRGKRZSA-N 318.381 2.614 5 50 DFBA Cc1nn(C[C@@H](O)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-] 360705956 YSPKHMLIPMVLEV-INIZCTEOSA-N 311.341 2.857 5 50 DFBA COc1ccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 102031 IZODJIWKIAVAMT-UHFFFAOYSA-N 300.314 2.842 5 50 DFBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cc(Cl)ccc1O 448512 FZVUMHIMFWWWAB-UHFFFAOYSA-N 318.672 2.754 5 50 DFBA Cc1ccc(C(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])o1 4974046 FYZKTBZTLDBJBM-UHFFFAOYSA-N 323.736 2.992 5 50 DFBA Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c([N+](=O)[O-])c1 101356507 JBXTZRPOFLDERS-FKGLVLAHSA-N 324.336 2.605 5 50 DFBA C[C@@H](CCc1cccn1C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] 132425484 YTTRHWMAWBRIAW-NSHDSACASA-N 319.336 2.824 5 50 DFBA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4840344 KNMFONJVZGPCKZ-ZUZCIYMTSA-N 314.297 2.762 5 50 DFBA CN1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 4986566 OHHUQMRSGSMDBG-UHFFFAOYSA-N 315.373 2.992 5 50 DFBA Cc1nc(N2CCCC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] 241126080 JJIUINRMXOGHFT-AWEZNQCLSA-N 301.350 2.763 5 50 DFBA COc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 102163 QYHWGEHYASAXEA-UHFFFAOYSA-N 300.314 2.842 5 50 DFBA CC(C)c1nc(Oc2ccc([N+](=O)[O-])cc2)nc(N(C)C)n1 270929473 KMBDZVDPRNXDKR-UHFFFAOYSA-N 303.322 2.762 5 50 DFBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C2CCC(CC2)[C@H]1C(=O)O 17054514 ZQNRZKWNLULXKS-GSNUKPDKSA-N 318.329 2.670 5 50 DFBA O=C(c1cncc(O)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 170591202 DMUWYORNNCPXOQ-UHFFFAOYSA-N 313.313 2.500 5 50 DFBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cn1 4774169 BIKRAHQFNREVFF-UHFFFAOYSA-N 321.224 2.681 5 50 DFBA CN(C)CC[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 904217709 NTRZYNCCCKEHOS-CYBMUJFWSA-N 314.389 2.921 5 50 DFBA CCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 170077705 CWXHDVPFQOZYHN-NSHDSACASA-N 315.329 2.919 5 50 DFBA O=[N+]([O-])c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 38228913 ONSQTORIEJBGTB-UHFFFAOYSA-N 302.311 2.787 5 50 DFBA C[C@]1(c2ccccc2)CC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 179200813 ADEYQKCXAFZWNO-GOSISDBHSA-N 324.336 2.812 5 50 DFBA O=c1c2sc3ncc([N+](=O)[O-])cc3c2ncn1-c1ccccc1 448148 SGKVXOQIYZWGCR-UHFFFAOYSA-N 324.321 2.904 5 50 DFBA O=C(Nc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])c(O)c1 123533478 IDZZIXGHJVENMD-UHFFFAOYSA-N 324.296 2.738 5 50 DFBA C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 7308895 NQLJUEXAJAQYFK-VIFPVBQESA-N 312.372 2.696 5 50 DFBA CC(C)(C)OC(=O)N1CCC(Nc2ccncc2[N+](=O)[O-])CC1 74938155 YOJSYAFBZQFPEF-UHFFFAOYSA-N 322.365 2.801 5 50 DFBA COc1cccc(N2CCC([C@@H]3CCCO3)CC2)c1[N+](=O)[O-] 275991089 JSTJIGKKUIEXOC-AWEZNQCLSA-N 306.362 2.999 5 50 DFBA COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC 209658 MHAZJPMWLRZBQZ-GHMZBOCLSA-N 322.361 2.730 5 50 DFBA C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2CC[C@H]1C2 240742300 AQKNLGBDGIBTME-JUFZMCDQSA-N 324.402 2.698 5 50 DFBA O=C(O)c1cc([N+](=O)[O-])ccc1Sc1nnc(S)s1 390834969 YBZKAMNUVJKLAW-UHFFFAOYSA-N 315.357 2.584 5 50 DFBA CCn1nc(C)c([N+](=O)[O-])c1NCc1nc2cccc(F)c2[nH]1 952993646 JLALHYMYRCXBFD-UHFFFAOYSA-N 318.312 2.747 5 50 DFBA COc1ccc(C(=O)N[C@@H](C)Cc2ccccc2)cc1[N+](=O)[O-] 459110 QPMCCOZFWNKLKB-LBPRGKRZSA-N 314.341 2.964 5 50 DFBA O=C(O)CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12 3878782 UPJJKUWNMCHOBI-UHFFFAOYSA-N 305.246 2.543 5 50 DFBA O=C(NCCOC1CCCCCC1)c1ccc([N+](=O)[O-])c(O)c1 118523399 YJSXEEWBMANGBA-UHFFFAOYSA-N 322.361 2.770 5 50 DFBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 451199 QFKSNPLRHHSKQF-UHFFFAOYSA-N 300.270 2.618 5 50 DFBA O=C(O)[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 4725021 VOUOQKLERFJPON-RYUDHWBXSA-N 324.720 2.767 5 50 DFBA Cc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-] 4814255 OKGXTTKZMFZSRL-UHFFFAOYSA-N 300.270 2.884 5 50 DFBA CCNc1nnc(Sc2cc(C)sc2[N+](=O)[O-])s1 596064810 ADWTZAFXCXZRJT-UHFFFAOYSA-N 302.406 3.399 5 50 DFBA NC(=O)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 5041715 SIPMZXKHYXJDFA-UHFFFAOYSA-N 316.342 2.503 5 50 DFBA CC(=O)Nc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 467194 VDNOIZPAAWXIPN-UHFFFAOYSA-N 314.297 2.910 5 50 DFBA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2cc3c(cc2N1)OCO3 94942 HANGTMALUFGTQM-LLVKDONJSA-N 312.281 2.798 5 50 DFBA O=C(COc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 621049 ARSULCUKCNHVMV-UHFFFAOYSA-N 312.325 2.559 5 50 DFBA O=C(N[C@H]1CCCC[C@H]1CO)c1ccc([N+](=O)[O-])c(Cl)c1 139671638 VEWMXTIUTVJXKX-JQWIXIFHSA-N 312.753 2.529 5 50 DFBA O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCCC1 4881940 SFSMOTRAMMRODT-UHFFFAOYSA-N 303.362 2.821 5 50 DFBA COC(=O)c1ccc(Oc2ncc(C)cc2[N+](=O)[O-])cc1OC 253431574 SIEGPGVJXXXCFJ-UHFFFAOYSA-N 318.285 2.886 5 50 DFBA CCN(Cc1ccccn1)C(=O)c1ccc(F)cc1[N+](=O)[O-] 150974930 MVKPMHROKYTBSF-UHFFFAOYSA-N 303.293 2.791 5 50 DFBA O=C(c1cc(Cl)ccc1[N+](=O)[O-])n1nnc2ccccc21 441660 ULIJWTJKBIMMCE-UHFFFAOYSA-N 302.677 2.681 5 50 DFBA CC[C@H]1CCCCN1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 458947 FYIZGUYXUWGGRN-LBPRGKRZSA-N 321.402 2.874 5 50 DFBA CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21 3812994 PPTYJKAXVCCBDU-UHFFFAOYSA-N 313.288 2.548 5 50 DFBA biogenic,world CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(OCCO)c(C)c1 241371351 MMVYCJYVVUQDJR-UHFFFAOYSA-N 320.349 2.543 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1C(N)=O 1753410 RBDCHHUSZJLTHW-UHFFFAOYSA-N 314.301 2.646 5 50 DFBA O=C(O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 3864753 XBGKHDVIWHAVTQ-UHFFFAOYSA-N 318.251 2.915 5 50 DFBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C2CCCCC2)CC1 4805342 FHYJGDRCRGEHNF-UHFFFAOYSA-N 317.389 2.685 5 50 DFBA O=[N+]([O-])c1ccc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c(F)c1 253393100 QGXQUFFBXHIPAF-IAQYHMDHSA-N 324.352 2.714 5 50 DFBA Cc1nn(C)c(C)c1NC(=S)Nc1ccc([N+](=O)[O-])cc1 5041930 YEFHYYKELKLAAJ-UHFFFAOYSA-N 305.363 2.754 5 50 DFBA O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc([N+](=O)[O-])cc1 289172 YSNCFOIFFUQUIA-UHFFFAOYSA-N 310.265 2.954 5 50 DFBA O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])n[nH]1 4809689 NXXVMBXYEYXYFT-UHFFFAOYSA-N 300.196 2.589 5 50 DFBA O=[N+]([O-])c1cnc(N2CCC[C@@](CO)(c3ccccc3)C2)s1 253398280 RVRBOSVGVXHZJF-OAHLLOKOSA-N 319.386 2.582 5 50 DFBA CC(C)c1ccc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 2772017 BWCSMDKOVRJZTA-LBPRGKRZSA-N 316.361 2.792 5 50 DFBA Cc1ccc(NCCS(=O)(=O)C(C)(C)C)c([N+](=O)[O-])c1 269949936 REBISAFGDKLJFK-UHFFFAOYSA-N 300.380 2.528 5 50 DFBA O=C(COc1ccccc1[N+](=O)[O-])N1CCCc2ccccc21 115723 KMKQARXKNSHHIJ-UHFFFAOYSA-N 312.325 2.953 5 50 DFBA CCn1cc(C2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cn1 266832784 IOFFBTFTCREZMO-UHFFFAOYSA-N 315.377 2.899 5 50 DFBA COc1cccc(NC[C@H]2COC3(CCCC3)O2)c1[N+](=O)[O-] 274663337 FVIGYHLPQBBURT-NSHDSACASA-N 308.334 2.701 5 50 DFBA COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 285265 WNQNQQNTCVDTAL-UHFFFAOYSA-N 300.270 2.634 5 50 DFBA CCSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 2773683 NSCDRZIEDJOTBQ-UHFFFAOYSA-N 310.360 2.811 5 50 DFBA Cc1c(O)ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)c1O 5678351 XUYMVGAKABYHEI-UHFFFAOYSA-N 303.270 2.576 5 50 DFBA CC1CCN(c2cc(N3CCOCC3)c([N+](=O)[O-])cc2F)CC1 4192049 YILASAAPMUVARW-UHFFFAOYSA-N 323.368 2.807 5 50 DFBA O=C(Nc1ccccc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1909362 NSKJRPCEBOQBNR-UHFFFAOYSA-N 305.221 2.894 5 50 DFBA O=C1c2cc([N+](=O)[O-])ccc2[C@@H]2C(=O)c3cc([N+](=O)[O-])ccc3[C@@H]12 25760628 BXJKCKOGMALGKM-OKILXGFUSA-N 324.248 2.763 5 50 DFBA Cc1nn(Cc2ccc(N(C)C)nc2)c2ccc([N+](=O)[O-])cc12 585137075 GZCMZMDEPMUPEC-UHFFFAOYSA-N 311.345 2.762 5 50 DFBA Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(F)ccc2C1 170605195 ACYIIIIAGLUXOB-UHFFFAOYSA-N 315.304 2.515 5 50 DFBA CC(C)Cc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 74026 NFGVUHXULLFBAF-UHFFFAOYSA-N 320.374 2.826 5 50 DFBA O=C(c1cc([N+](=O)[O-])ccc1Cl)n1nnc2ccccc21 101963 QFTUBEYVNDJPDT-UHFFFAOYSA-N 302.677 2.681 5 50 DFBA O=[N+]([O-])/C(=C\Nc1ccccc1)S(=O)(=O)c1ccccc1 1385675 TWLXXTZSFWTEKB-SDNWHVSQSA-N 304.327 2.648 5 50 DFBA O=[N+]([O-])c1ccc(OC2CCOCC2)c(Br)c1 38537234 YSKAVPMKTKFJEA-UHFFFAOYSA-N 302.124 2.915 5 50 DFBA in-vitro O=c1c2c(-c3ccc([N+](=O)[O-])cc3)csc2nc2n1CCC2 208361 QIASRLUWHFIQNJ-UHFFFAOYSA-N 313.338 2.979 5 50 DFBA Cc1nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)[nH]c1C 1775989341 LFHMTTRVVJKJMD-GFCCVEGCSA-N 301.350 2.714 5 50 DFBA C/C=C1\C[N@+]2(C)CC[C@@]34c5ccccc5N[C@H]3[C@H](CO)[C@H]1C[C@H]42 1772493001 LKZQOCJBJKPRFV-YFRCNBDOSA-N 311.449 2.526 5 50 DFBA Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCC1=CCCCC1 170618691 BSCSAMABQGBYPN-UHFFFAOYSA-N 307.325 2.936 5 50 DFBA C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccc2c(c1)OCCO2 195506202 XXNTYGDRNVTTFT-QMMMGPOBSA-N 307.331 2.996 5 50 DFBA CCc1nnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 434053 APRJIOYDLXOISN-VOTSOKGWSA-N 304.331 2.661 5 50 DFBA CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 152919457 XHGYJYHUFBNFFP-UHFFFAOYSA-N 301.140 2.887 5 50 DFBA C/C=C1\C[N@@+]2(C)CC[C@]34c5ccccc5N[C@@H]3[C@H](CO)[C@H]1C[C@H]42 257361084 LKZQOCJBJKPRFV-SMJSAUGTSA-N 311.449 2.526 5 50 DFBA N[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 19300393 CTBPJQRKQDPECC-SECBINFHSA-N 311.552 2.865 5 50 DFBA CCOC(=O)[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 4988938 BLLGMVCBKXJMCR-SBJJXXPASA-N 318.373 2.883 5 50 DFBA NC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 439343 ZGPCEXBCIHAALN-UHFFFAOYSA-N 319.704 2.599 5 50 DFBA O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n1cnc2ccccc21 2741579 CXWSRSKQYCFVTO-UHFFFAOYSA-N 312.241 2.541 5 50 DFBA O=[N+]([O-])c1cc2c(cc1/C=C1\SC(=S)N=C1O)OCO2 15911565 UEWFSZGHGXQRQB-MBXJOHMKSA-N 310.312 2.653 5 50 DFBA CCOC(=O)c1ccc2ncc3c(=O)nc4ccccn4c3c2c1 15110144 SBLXPEFLJQCJTJ-UHFFFAOYSA-N 319.320 2.573 5 50 DFBA CN(C[C@@H](O)c1cccnc1)c1c(Cl)cccc1[N+](=O)[O-] 2325874438 MVHSLEAGGGXIKU-CYBMUJFWSA-N 307.737 2.813 5 50 DFBA O=[N+]([O-])c1cn(-c2ccccc2)nc1-n1nnc2ccccc21 617574 XAGVVUAUWAILBB-UHFFFAOYSA-N 306.285 2.514 5 50 DFBA COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 439207 PIEBTXDYOSHIFK-UHFFFAOYSA-N 316.313 2.793 5 50 DFBA CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 4617749 HYWYRSMBCFDLJT-UHFFFAOYSA-N 308.315 2.759 5 50 DFBA biogenic,world Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C(=O)O 38841 XMVPRRHIBCIWLX-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA O=[N+]([O-])c1ccccc1-c1cnn(C[C@H](O)CC(F)(F)F)c1 189424962 CMIJWLJRFVAHIX-SNVBAGLBSA-N 315.251 2.772 5 50 DFBA C[C@@H](C1CC1)n1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cn1 189976086 FYAMDYAEUQHNQA-VIFPVBQESA-N 315.333 2.597 5 50 DFBA COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 262079 ICJXTSYVQKVWMM-UHFFFAOYSA-N 300.270 2.634 5 50 DFBA O=C(O)c1ccc(Nc2c([N+](=O)[O-])ccc3nonc23)cc1 3904287 NUFCWMBPVJBDNF-UHFFFAOYSA-N 300.230 2.573 5 50 DFBA CC(C)(C)OC(=O)N1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1 116843651 UOOPTEWQLLZXMX-ZDUSSCGKSA-N 308.334 2.903 5 50 DFBA Cc1ccc(CNc2nnc(-c3ccncc3)o2)cc1[N+](=O)[O-] 154774479 OVZDEPHNNLKTIY-UHFFFAOYSA-N 311.301 2.960 5 50 DFBA c1ccc2c(c1)nc(CN1CCOCC1)n1c3ccccc3nc21 19997682 AVMOXRBLEWHGTH-UHFFFAOYSA-N 318.380 2.868 5 50 DFBA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c([N+](=O)[O-])c1 100171810 BVUUQMPZCQAOIE-LWWSYDQCSA-N 312.325 2.605 5 50 DFBA Cc1cc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc(O)n1 120591289 JHBVDZRGPWOFQN-SNVBAGLBSA-N 313.313 2.595 5 50 DFBA COC(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 471772 WBCBAZTUOOGTFH-UHFFFAOYSA-N 315.281 2.738 5 50 DFBA CC(C)(C)OC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 161000136 YQAJJDXRXSVUMB-UHFFFAOYSA-N 322.361 2.720 5 50 DFBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccccc1 4344180 CBTLBNSQWKCFPH-UHFFFAOYSA-N 312.373 2.617 5 50 DFBA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 4901873 BNTBMODNVKLBDI-UWVGGRQHSA-N 324.720 2.854 5 50 DFBA CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1 67800627 SGQPXIZHVCLLRP-CYBMUJFWSA-N 308.334 2.983 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Cl)c(C)nn1C 355610 WZBZWMFMYKWDAC-UHFFFAOYSA-N 308.725 2.851 5 50 DFBA Cc1cc(NC(=O)N[C@H]2CC[C@@H](CO)CC2)ccc1[N+](=O)[O-] 182763105 ZRBDQRXKKCMXCQ-HAQNSBGRSA-N 307.350 2.576 5 50 DFBA COc1ccc(-c2nn3cnc4c(C)cccc4c3nc2=O)cc1 170620089 ATCSIIDSDRGLML-UHFFFAOYSA-N 318.336 2.622 5 50 DFBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccncc1 145466 FQPPHAPMZJCVEL-UHFFFAOYSA-N 300.299 2.852 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@H](C)O[C@H](C)C1 248958574 FPARPEZQRJPBOR-ZSBIGDGJSA-N 307.350 2.981 5 50 DFBA Cn1c2cc(=NCCc3cnc[nH]3)ccc-2nc2ccccc21 334157045 VSPNFEFQPWLNTK-UHFFFAOYSA-N 303.369 2.545 5 50 DFBA C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4010559 RJJLEJMQURANEC-VIFPVBQESA-N 318.782 2.811 5 50 DFBA CC(=O)Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 466764 JIFKSBHSUMNGBY-UHFFFAOYSA-N 314.297 2.910 5 50 DFBA O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCC2(CCOCC2)[C@H]1O 253392781 GINMHFDGYFXFNE-ABAIWWIYSA-N 324.352 2.714 5 50 DFBA COc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C(=O)O 4641518 FIKRTEMTXXBXTN-UHFFFAOYSA-N 316.269 2.554 5 50 DFBA CCCN(CCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 4701660 NPHOSLYVTWVVHY-UHFFFAOYSA-N 300.380 2.714 5 50 DFBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCCC2)CC1 999748 WEQXXJOEARXNQK-UHFFFAOYSA-N 317.389 2.685 5 50 DFBA Cc1ccc(F)c(NC(=O)[C@H](C)Cn2cc([N+](=O)[O-])cn2)c1 2795673 IRVSAPZIBPYGJE-SNVBAGLBSA-N 306.297 2.514 5 50 DFBA Cc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cn1 170597417 GDHWEERCENEEAJ-UHFFFAOYSA-N 319.748 2.924 5 50 DFBA C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CC[C@H]1C2 240742302 AQKNLGBDGIBTME-YXMPFFBPSA-N 324.402 2.698 5 50 DFBA O=[N+]([O-])c1ccc(F)cc1NCc1ccc(OCCO)cc1 225723984 REQNZKWCIJQUJS-UHFFFAOYSA-N 306.293 2.717 5 50 DFBA COc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1OC 19721030 UQOPJKKYEQGYQA-UHFFFAOYSA-N 302.330 2.902 5 50 DFBA CC1(C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@H]21 230149508 UBDWHRPPAKTWTH-BFHYXJOUSA-N 319.361 2.920 5 50 DFBA COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 4844610 LXKXYTQYMVGHHE-UHFFFAOYSA-N 322.342 2.713 5 50 DFBA C/C=C1\C[N@+]2(C)CC[C@]34c5ccccc5N[C@@H]3[C@H](CO)[C@H]1C[C@H]42 253487522 LKZQOCJBJKPRFV-NQAPWJMRSA-N 311.449 2.526 5 50 DFBA Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)ccc1[N+](=O)[O-] 436591 ZWNSBCLIDDQMQX-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA Cc1cc(F)ccc1NC(=O)[C@H](C)Cn1nc([N+](=O)[O-])cc1C 2788182 OJMJPPIMGGIAQJ-SNVBAGLBSA-N 320.324 2.822 5 50 DFBA COc1ccc(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 4811234 PUDYGJOZRXWWGR-UHFFFAOYSA-N 315.329 2.968 5 50 DFBA COc1cccc(N2CC[C@H](C3CCN(C)CC3)C2)c1[N+](=O)[O-] 274699142 PDJVHEUWCLOZEO-AWEZNQCLSA-N 319.405 2.772 5 50 DFBA CCOC(=O)[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 4988940 BLLGMVCBKXJMCR-PXTSUWAFSA-N 318.373 2.883 5 50 DFBA O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc([N+](=O)[O-])c(Cl)c1 139671367 VEWMXTIUTVJXKX-PWSUYJOCSA-N 312.753 2.529 5 50 DFBA CC[C@H](NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 170625992 HKLLXGFNNRXRIY-NJWCNVRMSA-N 306.406 2.763 5 50 DFBA Cc1c(NS(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] 287866 KDFOXVVSCDQDBC-UHFFFAOYSA-N 310.306 2.843 5 50 DFBA Cc1c(C(=O)Nc2ccc(C(=O)O)cc2)cccc1[N+](=O)[O-] 436597 LILWYXIUYKIXSH-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA O=[N+]([O-])c1ccc(Cn2nnc(Sc3ccccc3)n2)cc1 1056838 AIIBJSQZVABSRI-UHFFFAOYSA-N 313.342 2.781 5 50 DFBA COc1ccc(C(=O)NCCCc2ccccc2)cc1[N+](=O)[O-] 2823015 PRPVHIYOZFMGEO-UHFFFAOYSA-N 314.341 2.966 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCOC1CCCC1 162874914 KCGJCBXGTPELMJ-UHFFFAOYSA-N 307.350 2.984 5 50 DFBA Cc1c(NC(=O)NCCO[C@@H]2CCCCO2)cccc1[N+](=O)[O-] 585086500 QRNSKDPUNVJVRK-CQSZACIVSA-N 323.349 2.568 5 50 DFBA C[C@@H]1CN(CCCCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 20652499 CEIWJETVRNDVMY-ZIAGYGMSSA-N 308.378 2.863 5 50 DFBA CCOC(=O)CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 4555691 QLMQRYKDGADRLZ-UHFFFAOYSA-N 307.331 2.640 5 50 DFBA COC(=O)c1ccccc1Oc1ccc(C=O)cc1[N+](=O)[O-] 168897 HZHQYQOTHWXLDR-UHFFFAOYSA-N 301.254 2.986 5 50 DFBA COc1ccc(NC(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c([N+](=O)[O-])c1 101953245 YPTDBYJLHWDOGN-WBRVRECLSA-N 302.330 2.834 5 50 DFBA O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCC2(CCOCC2)[C@@H]1O 253392784 GINMHFDGYFXFNE-IAQYHMDHSA-N 324.352 2.714 5 50 DFBA O=[N+]([O-])c1cnc(N2CCC[C@H](Oc3ncccc3F)C2)s1 253395692 ZQSOIRFIVNSFKQ-VIFPVBQESA-N 324.337 2.633 5 50 DFBA CCN(CC)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)o1 376037 ZCIFHDHSSAHAOT-UHFFFAOYSA-N 320.349 2.531 5 50 DFBA Cc1cc(C)cc(OCC(=O)Nc2ccc([N+](=O)[O-])cn2)c1 5613203 LDKGKJUJBHZJAB-UHFFFAOYSA-N 301.302 2.624 5 50 DFBA CC(C)c1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 12382917 DYUKDMLWCXKOSP-VMPITWQZSA-N 301.302 2.678 5 50 DFBA CCOc1ccc(Nc2nc(N(C)C)nc(C)c2[N+](=O)[O-])cc1 4758009 SWOQZBDHLYAYHZ-UHFFFAOYSA-N 317.349 2.902 5 50 DFBA CCc1cnccc1[C@H](C)NC(=O)c1c(N)cccc1[N+](=O)[O-] 354516317 SRLCNJXTAGPVRG-JTQLQIEISA-N 314.345 2.625 5 50 DFBA Cc1ccc(C)c(NC(=O)CCCn2cc([N+](=O)[O-])cn2)c1 1069812 FOKOCJRFWFQJQY-UHFFFAOYSA-N 302.334 2.827 5 50 DFBA COC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C 2870832 OLYFWAUKBZVQFH-UHFFFAOYSA-N 314.297 2.942 5 50 DFBA Cc1ccc(OCC(=O)NCc2cccs2)c([N+](=O)[O-])c1 6690890 QBVGGMQYDSETHP-UHFFFAOYSA-N 306.343 2.660 5 50 DFBA O=[N+]([O-])c1ccc(-c2nccn2C[C@H](O)CC(F)(F)F)cc1 189359716 HWIMXLCJCQNTNN-LLVKDONJSA-N 315.251 2.772 5 50 DFBA CNC(=O)c1ccc(N2CCCC23CCCC3)c([N+](=O)[O-])c1 225713785 XJZOITIBEKGTAI-UHFFFAOYSA-N 303.362 2.867 5 50 DFBA O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 586855 FJLAUGJZIXEXKS-UHFFFAOYSA-N 307.375 2.988 5 50 DFBA COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(C)n2)cc1OC 357663109 UBNXRWRAECVEPG-UHFFFAOYSA-N 318.285 2.886 5 50 DFBA CCC1(CC)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1OC 151045889 ZVCWORXDBSWQQF-ZIAGYGMSSA-N 322.361 2.624 5 50 DFBA Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] 4975280 YZARCVPPNANKLB-UHFFFAOYSA-N 320.370 2.724 5 50 DFBA CCCOc1ccc(C(=O)OCC[N+]2(C)CCCC2)c(O)c1 220133063 WEQWWUGVPOWINM-UHFFFAOYSA-O 308.398 2.578 5 50 DFBA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1[N+](=O)[O-])OC2=O 4040642 XXWHHFVELSAZAJ-CVEARBPZSA-N 318.329 2.655 5 50 DFBA biogenic O=C(O)c1ccccc1Nc1ccc2nonc2c1[N+](=O)[O-] 4894758 SJVIUDIOADDATF-UHFFFAOYSA-N 300.230 2.573 5 50 DFBA CC[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 421969596 PDVADKZVNOXTJH-ZYHUDNBSSA-N 317.345 2.764 5 50 DFBA O=C(O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4342769 HCNDRCXDWXUIPG-SECBINFHSA-N 304.224 2.667 5 50 DFBA COc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 1738782 ULHOZSBLZIXZOV-UHFFFAOYSA-N 317.257 2.764 5 50 DFBA C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 166193229 WXVKNURWMZKPHR-QMTHXVAHSA-N 308.334 2.834 5 50 DFBA O=[N+]([O-])c1cc2c(cc1CNc1ccc3cn[nH]c3c1)OCO2 280220 YTVKZOVQSYGTLX-UHFFFAOYSA-N 312.285 2.812 5 50 DFBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1O)C1CCCCC1 4676468 XLJYPSVQUIAXLX-UHFFFAOYSA-N 323.374 2.694 5 50 DFBA COc1cc([C@H](O)C[N+](=O)[O-])ccc1OCc1ccccc1 174934 ZKWGZYRJLAOUKD-CQSZACIVSA-N 303.314 2.584 5 50 DFBA COc1ccc(NC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 4613959 KCYCSYIHNOYWFK-UHFFFAOYSA-N 304.277 2.924 5 50 DFBA O=C(Cc1ccccc1)NC(=S)Nc1ccccc1[N+](=O)[O-] 4754349 KYEJQNIRSAZNPH-UHFFFAOYSA-N 315.354 2.651 5 50 DFBA CC(=O)c1ccc(NCCc2nc(C)cc(C)n2)c([N+](=O)[O-])c1 1615573189 XHWGDNAOKUYYAN-UHFFFAOYSA-N 314.345 2.859 5 50 DFBA COC[C@@H](C)NC(=O)c1cc2c(ccc3ccccc32)oc1=O 12383543 BHFVUBUJTMXLAX-LLVKDONJSA-N 311.337 2.711 5 50 DFBA Cc1cc(C)nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 206537 WEIRZXXYWLOSMA-UHFFFAOYSA-N 303.343 2.977 5 50 DFBA O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCOCC1 4003516 LRFVMXSVLPIEKG-UHFFFAOYSA-N 309.341 2.561 5 50 DFBA CC1CCN(CCOCCOc2cccc([N+](=O)[O-])c2)CC1 4868959 JBCOQAURYXOGID-UHFFFAOYSA-N 308.378 2.722 5 50 DFBA CNC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 3015964 QPZHNZQCJUQOIL-UHFFFAOYSA-N 322.242 2.720 5 50 DFBA CCOC(=O)c1cc(Br)c(NC)c([N+](=O)[O-])c1 95496083 HTPHPPQKSWJOOS-UHFFFAOYSA-N 303.112 2.576 5 50 DFBA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc([N+](=O)[O-])c1 449793 XQNCKOZFEYGAOR-FNORWQNLSA-N 312.281 2.975 5 50 DFBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(O)cc3)CC2)cc1 19537137 CQYXBDNKDCTDEA-UHFFFAOYSA-N 313.357 2.623 5 50 DFBA Nc1c(Br)cc(Br)c(F)c1[N+](=O)[O-] 390825137 UOJIRUYBNBFLET-UHFFFAOYSA-N 313.908 2.841 5 50 DFBA C[C@H]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 170606563 IDEHAVWEVIHGSE-AWEZNQCLSA-N 319.405 2.663 5 50 DFBA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2cc3c(cc2N1)OCO3 94945 HANGTMALUFGTQM-NSHDSACASA-N 312.281 2.798 5 50 DFBA CC1(C)OC(C)(C)c2nc(-c3cccc([N+](=O)[O-])c3)nnc21 2141028 HAPHGZZVMBJCOX-UHFFFAOYSA-N 300.318 2.947 5 50 DFBA C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1 55425588 WTVGZZNFMMZVQM-SJCJKPOMSA-N 314.341 2.913 5 50 DFBA O=C1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)O1 4689349 OYIHYMHPICDSDA-ZDUSSCGKSA-N 318.329 2.799 5 50 DFBA CN1C[C@@H]2CN(c3ccc4oc5ccccc5c(=O)c4c3)C[C@H]2C1 43132689 WUJHMDPPANTBTQ-ZIAGYGMSSA-N 320.392 2.944 5 50 DFBA in-vitro CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1(C)C 119103651 GSEYNALJPIPKPN-CJNGLKHVSA-N 322.361 2.576 5 50 DFBA COc1ccc(OC)c(CNCCc2ccc([N+](=O)[O-])cc2)c1 19721020 QDBNHZZZUSIPNF-UHFFFAOYSA-N 316.357 2.944 5 50 DFBA O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccc3)CC2)o1 2810909 QPLIAWGGCVPEIY-UHFFFAOYSA-N 301.346 2.506 5 50 DFBA Cc1csc(C(=O)O)c1NC(=O)c1cccc([N+](=O)[O-])c1 4105323 MFOPMXBHLASXHJ-UHFFFAOYSA-N 306.299 2.915 5 50 DFBA C[C@@H](Nc1cnc([N+](=O)[O-])c(O)c1)c1ncc(C(F)(F)F)[nH]1 1776005124 BRCLOHFRFDNINL-RXMQYKEDSA-N 317.227 2.610 5 50 DFBA CCc1nc2n(n1)CCC[C@H]2Nc1ncc(Cl)cc1[N+](=O)[O-] 269347941 DZSJHIMCZHSJFB-SECBINFHSA-N 322.756 2.744 5 50 DFBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc2c(c1)OCCO2 2972145 FKOJPTNVMGUPGZ-UHFFFAOYSA-N 318.260 2.757 5 50 DFBA O=[N+]([O-])c1cc(CN2CCN(c3ccccc3)CC2)ccc1O 4639260 RFOOCTIUWMGNJG-UHFFFAOYSA-N 313.357 2.623 5 50 DFBA CC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1C 149155 WPMURQRZFHQAJD-UHFFFAOYSA-N 305.315 2.815 5 50 DFBA CC1=C(C)C[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 100103869 IFJWSFZAKJMGQO-VXGBXAGGSA-N 300.314 2.831 5 50 DFBA COc1ccc(OC)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 183894 UEFQELNJWMUYDF-UHFFFAOYSA-N 316.313 2.793 5 50 DFBA O=[N+]([O-])c1ccc(C[N@+]23CCCC[C@@H]2[C@H](CO)CCC3)cc1 253389774 CGXROTBVPVPDTR-KVSKMBFKSA-N 305.398 2.866 5 50 DFBA biogenic CCN(CC)C(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 240955 NNQPFSVBYKDJPY-OAHLLOKOSA-N 319.405 2.675 5 50 DFBA COc1ccc(C(=O)n2c(C)nc3ccccc32)cc1[N+](=O)[O-] 442451 GTPBJECUENJBHZ-UHFFFAOYSA-N 311.297 2.950 5 50 DFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@@H]1CO 163219784 LWUBPEYHNABLGA-BXUZGUMPSA-N 307.350 2.576 5 50 DFBA CCCn1cc(CNc2ccc3ncccc3c2[N+](=O)[O-])nn1 952992550 NMZSZZDCUJONPA-UHFFFAOYSA-N 312.333 2.757 5 50 DFBA CCCCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1OC 2871472 NXIMVQVDLDBOPI-UHFFFAOYSA-N 311.363 2.607 5 50 DFBA COc1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 38502 CRPZQWLSALEFEJ-UHFFFAOYSA-N 320.276 2.760 5 50 DFBA O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccccn1 235167 WBOWQDPJZLAQPU-UHFFFAOYSA-N 319.276 2.944 5 50 DFBA COc1ccc(C(=O)O)c([N+](=O)[O-])c1OCc1ccccc1 3136390 CHHDARRAUVXDAO-UHFFFAOYSA-N 303.270 2.881 5 50 DFBA Cc1ccc(NC(=O)c2ccc(NCCO)c([N+](=O)[O-])c2)cc1 4706784 CCJLYHDSCGCOFR-UHFFFAOYSA-N 315.329 2.560 5 50 DFBA Cc1ccc(NC(=O)Nc2ccccc2C(N)=O)c([N+](=O)[O-])c1 4765470 RRDGXASNABDRFY-UHFFFAOYSA-N 314.301 2.646 5 50 DFBA O=[N+]([O-])c1cc2ccccc2n1S(=O)(=O)c1ccccc1 135840988 PTDYFWLGVSTLJN-UHFFFAOYSA-N 302.311 2.787 5 50 DFBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCc2nc[nH]c2C1 408518331 AYQSZBPOLRXGEC-UHFFFAOYSA-N 312.251 2.899 5 50 DFBA COc1cccc(C=O)c1OC(=O)c1ccc([N+](=O)[O-])cc1 312510 RGYINBSMDBAPGO-UHFFFAOYSA-N 301.254 2.635 5 50 DFBA C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2ncccc2[N+](=O)[O-])C1 253426406 OEJDBCAIJIXZJF-BHPKHCPMSA-N 305.378 2.756 5 50 DFBA O=[N+]([O-])c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 1704132 DGNVEKKAEPFSIH-UHFFFAOYSA-N 304.258 2.961 5 50 DFBA in-vitro O=C(Nc1nccs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4841421 NLGWAEYLAPGGDO-UHFFFAOYSA-N 318.358 2.904 5 50 DFBA O=c1oc2ccccc2c(NCCN2CCCCC2)c1[N+](=O)[O-] 4866392 QIAFVKBTNOSUQI-UHFFFAOYSA-N 317.345 2.599 5 50 DFBA Cc1c(CN[C@@H](C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])cnn1C 225514681 OPPUMFRGTYRZIZ-STQMWFEESA-N 316.405 2.994 5 50 DFBA Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-] 473046 VMQDXYSVTMRXJI-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA COC(=O)c1cc2c(=O)c3cc(C(C)C)ccc3oc2nc1N 97756811 JEMBXPKPPPPJKL-UHFFFAOYSA-N 312.325 2.833 5 50 DFBA O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 170647418 IRUQOAWOZNEEJI-UHFFFAOYSA-N 316.357 2.542 5 50 DFBA O=C(c1cccc([N+](=O)[O-])c1)c1nc2c(n1O)CCCCC2 304436 DKEVTPYPSIXYRA-UHFFFAOYSA-N 301.302 2.529 5 50 DFBA O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CCCO1 4749808 USNGYBFBWIDIIT-SNVBAGLBSA-N 304.224 2.731 5 50 DFBA Cc1cc(N2CCC[C@H](n3ccnc3C)C2)ncc1[N+](=O)[O-] 610430943 KLBFVLHPFOATMX-ZDUSSCGKSA-N 301.350 2.645 5 50 DFBA O=C(O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 3879016 ZEIZFLAEFWOEKQ-UHFFFAOYSA-N 300.230 2.573 5 50 DFBA O=[N+]([O-])c1ccc(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(F)c1 253393101 QGXQUFFBXHIPAF-NHYWBVRUSA-N 324.352 2.714 5 50 DFBA CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)[C@]12CCCO2 273437763 AOUCAIVOXFBSPO-ARFHVFGLSA-N 322.361 2.742 5 50 DFBA COC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21 529874 AFVFAVBGOGUZGG-UHFFFAOYSA-N 321.336 2.919 5 50 DFBA CCCCc1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C 2091192 ZOVAMJFQIPRVMO-UHFFFAOYSA-N 302.334 2.923 5 50 DFBA Nc1ccc([N+](=O)[O-])c(N2CCO[C@]3(C[C@H]4CC[C@H]3C4)C2)c1 369211922 BSSJTHRAXHGRAH-MQIPJXDCSA-N 303.362 2.572 5 50 DFBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccccc2)CC1 4977755 KZBLTOHPECQINB-UHFFFAOYSA-N 311.385 2.913 5 50 DFBA O=[N+]([O-])c1ccccc1CN1CC[C@@H](CNc2ccccn2)C1 160903967 HTDZSJPFZBFULJ-AWEZNQCLSA-N 312.373 2.924 5 50 DFBA Cc1c(Cc2noc(C3CCOCC3)n2)cccc1[N+](=O)[O-] 225599309 LIANLYAYCAPBKZ-UHFFFAOYSA-N 303.318 2.771 5 50 DFBA C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 4749798 YFCACSBGUFFMHD-JTQLQIEISA-N 314.297 2.815 5 50 DFBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC(C)(C)C1 4845316 YFXZJCKOAGHGDT-UHFFFAOYSA-N 312.391 2.714 5 50 DFBA COC(=O)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 4845855 GNIFJBHOASPOMF-CYBMUJFWSA-N 306.318 2.513 5 50 DFBA COc1cccc(NC[C@@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] 185171807 NTXQHGCUMVXRCJ-CYBMUJFWSA-N 306.293 2.888 5 50 DFBA CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1c1ncccc1[N+](=O)[O-] 1616035776 GPBRVDLHNDRFPX-HIFRSBDPSA-N 304.394 2.689 5 50 DFBA Cc1nn([C@H](C)C(=O)N2CCc3ccccc32)c(C)c1[N+](=O)[O-] 1069257 MBNLMEFDTDUAQC-GFCCVEGCSA-N 314.345 2.558 5 50 DFBA O=C1C[C@@H](c2ccccc2)CN1C(=O)c1cccc([N+](=O)[O-])c1 2994501 CRPXHQBFSLZUKM-CQSZACIVSA-N 310.309 2.751 5 50 DFBA Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] 285787628 LVNPQVKOOMLDHG-LSDHHAIUSA-N 304.346 2.687 5 50 DFBA COC(=O)c1cccc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)c1 95495251 PWINGVGBNUZPNV-UHFFFAOYSA-N 301.254 2.747 5 50 DFBA O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1O 123929083 YSFFDABOZWRXPW-LLVKDONJSA-N 320.345 2.522 5 50 DFBA CC(C)COC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 2023491 MHWMKXCBVGGVSX-UHFFFAOYSA-N 302.670 2.969 5 50 DFBA in-vitro O=c1[nH]c(/C=C/c2cccc3ccccc23)nc(O)c1[N+](=O)[O-] 9010312 JPSASVOXDJPDAT-CMDGGOBGSA-N 309.281 2.707 5 50 DFBA O=[N+]([O-])c1ccc(C2=NN=C(N3CCCCC3)SC2)cc1 23633900 YDBOXOZXGPLQGA-UHFFFAOYSA-N 304.375 2.888 5 50 DFBA Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 4697318 NTKZVGOOKKHPEV-LBPRGKRZSA-N 320.370 2.943 5 50 DFBA O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2cc3c(cc2N1)OCO3 95020 TVXUVYGQVVDYDM-SNVBAGLBSA-N 312.281 2.798 5 50 DFBA CN(CCN(CCOc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 225571932 ZFFXZSJRAHHWAG-UHFFFAOYSA-N 319.405 2.532 5 50 DFBA COc1cccc(C(=O)Nc2cccc3[nH]cnc23)c1[N+](=O)[O-] 192593117 JTJYHNFVQVYWRA-UHFFFAOYSA-N 312.285 2.732 5 50 DFBA O=[N+]([O-])c1cnc(Nc2cccc(CN3CCOCC3)c2)s1 195511501 QTUSXNLTEHCPJI-UHFFFAOYSA-N 320.374 2.627 5 50 DFBA CCO[C@H](CC)CNc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12 15659206 KKCKEUGMWCFQTA-LLVKDONJSA-N 319.361 2.674 5 50 DFBA Cc1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 58978 ZHBMHLPBRRDDFX-UHFFFAOYSA-N 311.297 2.569 5 50 DFBA NC(=O)c1cccc(CNc2ccnc3c([N+](=O)[O-])cccc23)c1 432330155 YBLHPZYJAFWXBU-UHFFFAOYSA-N 322.324 2.854 5 50 DFBA CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 132214586 YYRRWDCBDMEINC-ZDUSSCGKSA-N 315.329 2.919 5 50 DFBA O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 5119942 SCGJANYUHWVRBW-UHFFFAOYSA-N 319.317 2.861 5 50 DFBA O=c1c([N+](=O)[O-])cccn1Cc1cccc(Br)c1 107069 UEVQNHCCIZLULM-UHFFFAOYSA-N 309.119 2.567 5 50 DFBA C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O 5675181 FQTBNHNSLSVAIQ-SKDRFNHKSA-N 324.333 2.676 5 50 DFBA Cc1cc(OCCCN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] 20166863 BZSBSMFOOFLYCY-KBPBESRZSA-N 308.378 2.781 5 50 DFBA CC(=O)N(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 38830 NNZRDWCPHXWLAC-UHFFFAOYSA-N 313.313 2.830 5 50 DFBA Cc1cc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)no1 4749021 JVBBFADNTFFUAG-UHFFFAOYSA-N 304.287 2.753 5 50 DFBA C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4840343 KNMFONJVZGPCKZ-MEBBXXQBSA-N 314.297 2.762 5 50 DFBA Cc1ccc([N+](=O)[O-])c(OCCCN2C[C@@H](C)O[C@H](C)C2)c1 20639534 CUTMLJMVVWGTLF-ZIAGYGMSSA-N 308.378 2.781 5 50 DFBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccsc3)CC2)cc1 55543392 SHWWMUBOTNDAQB-UHFFFAOYSA-N 303.387 2.979 5 50 DFBA Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 190182 DWDCRLMULRSLDW-UHFFFAOYSA-N 300.270 2.854 5 50 DFBA CC1(C)CC(NC(=O)c2cccc([N+](=O)[O-])c2)CC(C)(C)N1 260832 SJFLDUSEOUVPSS-UHFFFAOYSA-N 305.378 2.634 5 50 DFBA COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)O)c1 4964437 NFYULTOGHRKJGR-UHFFFAOYSA-N 316.269 2.554 5 50 DFBA C[C@H]1CN(C)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 450329290 QLLGDYHVVWGDBQ-NSHDSACASA-N 318.402 2.859 5 50 DFBA