smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1c(Cl)cc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1[N+](=O)[O-] 13004116 NSNBXKWTZUYEKJ-UHFFFAOYSA-N 387.845 1.800 5 40 GDBB Cc1csc(=O)n1CC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17193265 WPXYIPRLSSINNI-UHFFFAOYSA-N 376.350 1.920 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCN1CCCC1)S(C)(=O)=O 13669916 WHJHCIQDDKLKIY-UHFFFAOYSA-N 398.485 1.271 5 40 GDBB C[C@H]1CCCCN1C(=O)CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 12528031 ZWQGBALCCRWERI-AWEZNQCLSA-N 389.456 1.217 5 40 GDBB Nc1ncncc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 84351258 NEZZPRYQTMGWKA-UHFFFAOYSA-N 378.414 1.364 5 40 GDBB O=C(Nn1cnnc1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 14405742 XFHFXZBILCWXKW-UHFFFAOYSA-N 388.365 1.371 5 40 GDBB CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O 8995579 HRQLXSMHQYLFTO-KUHUBIRLSA-N 386.408 1.983 5 40 GDBB COC(=O)c1cc(C(=O)N2CCN(Cc3cc(C)on3)CC2)cc([N+](=O)[O-])c1 12981464 HLVWBJVAHUELTG-UHFFFAOYSA-N 388.380 1.636 5 40 GDBB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 13637659 URTYDVLRHSYPOH-NSHDSACASA-N 396.359 1.944 5 40 GDBB O=C(O)CN1C(=O)N/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 408596255 RWHWIEYFUWFWHQ-FARCUNLSSA-N 386.114 1.040 5 40 GDBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)NC2CC2)c1 12926331 NOLPOYQISIHRAT-UHFFFAOYSA-N 382.376 1.856 5 40 GDBB CNS(=O)(=O)c1ccc(N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c([N+](=O)[O-])c1 36391021 UNRQRGZJYDHHMS-VIFPVBQESA-N 391.409 1.846 5 40 GDBB COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c([N+](=O)[O-])c1 28196091 FKMRTCBTGXVFNO-UHFFFAOYSA-N 380.334 1.880 5 40 GDBB CNC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 6509223 IJTYEYTXRAPTQO-UHFFFAOYSA-N 386.364 1.819 5 40 GDBB COc1nonc1OCCN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 57049715 WHNXGNIKISGGRQ-UHFFFAOYSA-N 383.792 1.841 5 40 GDBB CC(=O)C1=NO[C@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@H]12 4053631 VGUIOBKKQWHXEU-HOTGVXAUSA-N 375.381 1.898 5 40 GDBB CCCCN(C(=O)c1ccc([N+](=O)[O-])o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 23077938 PWCIKWXAJQGMDU-UHFFFAOYSA-N 393.400 1.723 5 40 GDBB O=C1CN(c2ccc(NC(=O)CCOc3ccc([N+](=O)[O-])cc3)cn2)CCN1 40106603 QMXZRJIVLPQBHD-UHFFFAOYSA-N 385.380 1.334 5 40 GDBB O=C1NC(=O)C([C@H](CC(=O)c2cccs2)c2cccc([N+](=O)[O-])c2)C(=O)N1 5861205 ISQUJZFNFFIEPA-LLVKDONJSA-N 387.373 1.995 5 40 GDBB O=[N+]([O-])c1ccc(NCCCN2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 23888244 DZJUZYAWTMUMPY-UHFFFAOYSA-N 387.400 1.917 5 40 GDBB O=C(CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21)Nc1ccccc1[N+](=O)[O-] 100033270 IYSOSMSCXDZUFN-CVEARBPZSA-N 394.347 1.527 5 40 GDBB COC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(Cc2cccnc2)c1=N 100627555 QUOFPZMWKLIPNZ-UHFFFAOYSA-N 375.388 1.667 5 40 GDBB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)cc1 3308915 SHKDOKGHZISKRV-UHFFFAOYSA-N 385.379 1.099 5 40 GDBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(C)c2=N)cc1 4185713 VHBZJPVGILKICT-UHFFFAOYSA-N 380.429 1.807 5 40 GDBB CCN(C(=O)[C@H](C)Oc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 7772174 XFUOYMUCFFGVCR-RYUDHWBXSA-N 386.426 1.406 5 40 GDBB CCOC(=O)c1cc(N2CCC(C(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] 79048195 IRGISUNSHHHHMA-UHFFFAOYSA-N 391.424 1.847 5 40 GDBB COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113879770 OVPSVOJQKBRDPH-UHFFFAOYSA-N 380.378 1.972 5 40 GDBB O=C(C1CCN(c2ccc([N+](=O)[O-])cn2)CC1)N1CCN(c2ccccn2)CC1 9051961 WASRAFVDMLZGGF-UHFFFAOYSA-N 396.451 1.950 5 40 GDBB O=[N+]([O-])c1ccc(NNc2ncc(F)c(N3CCOCC3)n2)c([N+](=O)[O-])c1 408721681 KZQSMBZRFZDVIL-UHFFFAOYSA-N 379.308 1.708 5 40 GDBB CCN(C(=O)COC(=O)c1cccc(C)c1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 3341371 WSXHNINDJJLKFR-GFCCVEGCSA-N 384.410 1.096 5 40 GDBB CC(C)[C@@H](C(=O)N(C)C)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 57986795 DRTCODFRZPGYOY-INIZCTEOSA-N 398.485 1.014 5 40 GDBB CN(C)c1ccc(S(=O)(=O)NCC(=O)NCC2CCCCC2)cc1[N+](=O)[O-] 5898835 SUWHCIATAWOLDS-UHFFFAOYSA-N 398.485 1.636 5 40 GDBB NS(=O)(=O)c1ccc(N2CCN(c3ccccc3F)CC2)c([N+](=O)[O-])c1 5688389 LJZRVMFGLCDWPV-UHFFFAOYSA-N 380.401 1.708 5 40 GDBB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(ncn5nnnc45)c23)CO1 19118233 DJQMEOFDRCDVAM-UHFFFAOYSA-N 397.464 1.970 5 40 GDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 19375869 JKBYEVKCTMGEOW-UHFFFAOYSA-N 393.403 1.789 5 40 GDBB O=C(CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21)Nc1ccccc1[N+](=O)[O-] 100033268 IYSOSMSCXDZUFN-HOTGVXAUSA-N 394.347 1.527 5 40 GDBB CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 29027716 LVPQPTPCMGELAQ-UHFFFAOYSA-N 392.456 1.620 5 40 GDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OC[C@H](O)CN1CCCC1 8156433 UDIIDIJSTCYEIE-CQSZACIVSA-N 399.469 1.215 5 40 GDBB CCCN(C)S(=O)(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 97163894 ZYXMSENNVPUCPW-UHFFFAOYSA-N 396.473 1.570 5 40 GDBB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1[N+](=O)[O-] 103067420 JEOQZCKDELHBDP-VXGBXAGGSA-N 389.364 1.252 5 40 GDBB C[C@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 4979506 KLHWBSIODSZEEM-LLVKDONJSA-N 397.343 1.761 5 40 GDBB CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 40131489 MZNJMFDGIRNXCE-AWEZNQCLSA-N 398.485 1.575 5 40 GDBB COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]([C@H]1CCOC1)N1CCOCC1 24204632 PAKRQWLPEBHZDK-GUYCJALGSA-N 379.413 1.531 5 40 GDBB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4899461 XYOTUDBGVBTGAX-QWRGUYRKSA-N 380.401 1.951 5 40 GDBB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 4515913 YUNMJBPFKPTAGQ-SMDDNHRTSA-N 387.396 1.709 5 40 GDBB Cn1nnnc1Sc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 9119611 FMEZZAKWJOMCLJ-UHFFFAOYSA-N 384.443 1.444 5 40 GDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)C1CCCC1)S(C)(=O)=O 20453745 SILQMXWQCGSOCI-UHFFFAOYSA-N 385.442 1.770 5 40 GDBB CC(C)Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)n[nH]1 524730299 DTFJTQYGYLMDAH-OLZOCXBDSA-N 385.424 1.938 5 40 GDBB biogenic CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)N(C)C(=S)N(C)C2=O)[C@@H]1C 6662633 AAZDYXWSLGZBDQ-JTQLQIEISA-N 376.438 1.567 5 40 GDBB CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409002501 NVXVLFPIRHDKCO-GFCCVEGCSA-N 395.368 1.089 5 40 GDBB CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4269796 QOHLVTLPOCXGIL-JTNHKYCSSA-N 391.302 1.721 5 40 GDBB CN(C)c1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 4508245 MDOLHLOSZFSRRD-UHFFFAOYSA-N 392.412 1.976 5 40 GDBB Cn1/c(=N\C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc2ccccc21 104992395 BXTOEPWLWWVVGS-VHEBQXMUSA-N 396.384 1.872 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 106213593 ZQMXZPKKTGFRJZ-WDMOLILDSA-N 391.302 1.721 5 40 GDBB CN(C)S(=O)(=O)c1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 47331364 NUYZERBFXQENAL-UHFFFAOYSA-N 394.453 1.760 5 40 GDBB COC(=O)c1cn(-c2ccccc2NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)nn1 31646695 LXUKOGMZIVCZMN-UHFFFAOYSA-N 399.367 1.414 5 40 GDBB C[C@H]1C[C@H](C)CN(c2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C1 20392138 SNGVLDSKPBHPHY-STQMWFEESA-N 379.465 1.193 5 40 GDBB CN(C)C[C@H](O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1778115 HWKCPJUABXNEDS-INIZCTEOSA-N 379.438 1.713 5 40 GDBB NC(=O)c1ccsc1NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 3408311 VFBXUSABFIJLPZ-ZZXKWVIFSA-N 375.362 1.950 5 40 GDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCC1=CCCCC1)S(C)(=O)=O 223881229 GYLLZWQDMCLCLU-UHFFFAOYSA-N 397.453 1.986 5 40 GDBB COC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C(=O)[C@@H]12 4474670 IHDJIERXLABMQW-KUHUBIRLSA-N 394.343 1.112 5 40 GDBB CC(C)CN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)NC(=O)NC2=O)[C@@H]1C(C)C 4593992 ZGTBPIGLLGBZPG-HNNXBMFYSA-N 388.424 1.990 5 40 GDBB COc1ccc(CNC(=O)c2nc(Cn3ccc([N+](=O)[O-])n3)no2)cc1OC 12371331 PPYWOZGLTSESOQ-UHFFFAOYSA-N 388.340 1.170 5 40 GDBB Cc1c(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cccc1[N+](=O)[O-] 36389676 HZYUSFXSHCAEGW-UHFFFAOYSA-N 396.447 1.977 5 40 GDBB Cc1cccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 10447979 JNVNWZZWNGEUKU-UHFFFAOYSA-N 377.422 1.986 5 40 GDBB CCCn1nc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1=O 22882507 YVXVOEDWQPADLX-SNVBAGLBSA-N 392.343 1.885 5 40 GDBB O=C(O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409136642 SKASSWHIIPKZTP-JYRVWZFOSA-N 393.377 1.552 5 40 GDBB COCCn1ccc2nc3ccn(-c4nc(SC)n[nH]4)c(=O)c3cc2c1=O 40398871 JDIXKTWPJOSQCN-UHFFFAOYSA-N 384.421 1.187 5 40 GDBB Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1[C@@]1(O)C(=O)Nc2ccc(F)cc21 6934801 HYMJPDKIPWETGB-GOSISDBHSA-N 383.339 1.998 5 40 GDBB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)no1 9525988 HBXGJKGPBOYUNI-NSHDSACASA-N 388.336 1.426 5 40 GDBB CCc1c(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cnn1-c1ccc([N+](=O)[O-])cc1 32977358 MCJDWGLKZOWCPY-AWEZNQCLSA-N 392.437 1.602 5 40 GDBB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 40115846 RXCIDBQYNNOVJC-CVEARBPZSA-N 395.481 1.482 5 40 GDBB CNS(=O)(=O)c1cc(NC(=O)COc2cccnc2[N+](=O)[O-])ccc1C 24141055 IHXIJDLRGUVAGS-UHFFFAOYSA-N 380.382 1.224 5 40 GDBB CN1C(=O)CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2ccccc21 79012976 UGNKYPMZBIGYAW-UHFFFAOYSA-N 389.389 1.622 5 40 GDBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2628170 AXNMGMZTUAKJKV-QMMMGPOBSA-N 383.338 1.019 5 40 GDBB CCOC(=O)[C@H]1CS[C@H](CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(=O)N1 9939415 REVGYVPDKZMZFJ-DGCLKSJQSA-N 381.410 1.395 5 40 GDBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CN(c1cccc(F)c1)CN=2 2280456 ZRGTTXMVYYLILN-PXNMLYILSA-N 384.392 1.841 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O 10313823 SNQNLEHJXBEMAE-UHFFFAOYSA-N 378.410 1.381 5 40 GDBB Cc1ccc(C(=O)N2CCN(CCNC(=O)c3ccco3)CC2)cc1[N+](=O)[O-] 12931954 QKLZLMCDPHLGNM-UHFFFAOYSA-N 386.408 1.684 5 40 GDBB CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 100218196 IUEHSZNRMZSMGC-LHHJGKSTSA-N 380.378 1.941 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(Nc2cnn(CCO)c2)c([N+](=O)[O-])c1 57148850 JEZPOWAZEICPTL-UHFFFAOYSA-N 383.430 1.558 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])NC(=O)NC1 12981441 SRDNLDHNOUAMEU-UHFFFAOYSA-N 383.744 1.535 5 40 GDBB Cc1ccc(C(=O)NCC(=O)NCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 10088343 RQCLNOWQVDWCOR-UHFFFAOYSA-N 385.376 1.721 5 40 GDBB COc1ccc(CC(=O)N2C[C@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)cc1 604406155 XHKJUJKHZZMFPD-HUUCEWRRSA-N 383.404 1.954 5 40 GDBB biogenic NS(=O)(=O)c1ccc(NC[C@H]([C@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 48264406 KAOSVLWBYWUPNY-BLLLJJGKSA-N 384.458 1.155 5 40 GDBB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5207234 RFNCYFMLXNRIPM-LBPRGKRZSA-N 385.442 1.673 5 40 GDBB COC(=O)c1ccccc1N1C(=O)[C@H]2C(c3cccc([N+](=O)[O-])c3)=NO[C@H]2C1=O 103530528 IUEZNBBMNDWXAK-GOEBONIOSA-N 395.327 1.674 5 40 GDBB O=C(O)CCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 20199887 PKGDGQGNMIOZQM-UHFFFAOYSA-N 385.379 1.687 5 40 GDBB COc1ccc(C(=O)NCC(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] 10885956 VAGOGSZPECCDQA-UHFFFAOYSA-N 375.406 1.980 5 40 GDBB CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2O1 12515607 WIHNRYUMILFNOT-KRWDZBQOSA-N 384.392 1.855 5 40 GDBB Cc1nn(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1S(=O)(=O)N1CCOCC1 16976226 PYDOIVOAMNTDKZ-UHFFFAOYSA-N 394.409 1.118 5 40 GDBB CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])C(N)=O 89929832 XDKPHLIEISNMSC-WBMJQRKESA-N 398.485 1.937 5 40 GDBB O=C(OCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc([N+](=O)[O-])cc1 2736447 HVSYOOYKNVJQIW-UHFFFAOYSA-N 385.288 1.956 5 40 GDBB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCn1cc([N+](=O)[O-])nc1C 61112981 IFSDSNFVYYRMIA-MRXNPFEDSA-N 399.407 1.872 5 40 GDBB C[C@@H](CN1CCOC1=O)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 58166869 ODKQQTKQPKWZRQ-NSHDSACASA-N 392.368 1.240 5 40 GDBB Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 12522424 KOXJDGPRWGSGEE-UHFFFAOYSA-N 384.392 1.804 5 40 GDBB COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1[N+](=O)[O-] 3441978 LFELNUBPXAJVQR-UHFFFAOYSA-N 385.332 1.746 5 40 GDBB Cn1c(=O)c2c(nc(Cl)n2CCOc2cccc([N+](=O)[O-])c2)n(C)c1=O 40123145 PLCWBLYDXGEFRB-UHFFFAOYSA-N 379.760 1.074 5 40 GDBB O=[N+]([O-])c1c(NCc2ccccc2)cc(N2CCN(CCO)CC2)c2nonc12 20083429 KUTDPKASHZHADX-UHFFFAOYSA-N 398.423 1.857 5 40 GDBB CC(C)NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N 101153330 PCYHLEWELDRWMI-UHFFFAOYSA-N 388.431 1.710 5 40 GDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 84041526 DOWLZVRUAUSYCU-CQSZACIVSA-N 398.462 1.967 5 40 GDBB CCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3cc(C)ccc3nc21 100810624 SBILTVJDQYDIDL-ZDUSSCGKSA-N 381.436 1.366 5 40 GDBB aggregator Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1ccc(I)cc1 9062006 XHANEDYIVWJHNJ-UHFFFAOYSA-N 393.162 1.941 5 40 GDBB O=[N+]([O-])c1cc(-c2nn3c(CN4CCOCC4)nnc3s2)cc([N+](=O)[O-])c1 71260508 MCDDSMIFHDWHPX-UHFFFAOYSA-N 391.369 1.501 5 40 GDBB CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 40058309 MCZLXMSPCLMNDJ-GFCCVEGCSA-N 395.441 1.608 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])o2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 106213633 FBGBAWSNIDLYTR-AUTRQRHGSA-N 381.263 1.314 5 40 GDBB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cc([N+](=O)[O-])ccc1F 3226070 LHWURIHQPZZBFW-UHFFFAOYSA-N 379.325 1.517 5 40 GDBB COc1cccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])N(C)C)c1 12552713 KKPZCSRMOHZUQA-QGZVFWFLSA-N 394.453 1.966 5 40 GDBB CC(=O)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C(N)=O)C1 12378141 HDIDQPNZSREFLB-UHFFFAOYSA-N 378.366 1.505 5 40 GDBB O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2N1CCN(Cc2ccccc2)CC1 59383496 WIAODIHOCWBIOS-UHFFFAOYSA-N 386.433 1.862 5 40 GDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 9658373 SKCUEYDKRRGNJF-UHFFFAOYSA-N 387.352 1.014 5 40 GDBB CCCN(CCC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 12868759 XKUTYDOPAQLTFQ-UHFFFAOYSA-N 393.487 1.656 5 40 GDBB CCc1cc(N2CCN(S(C)(=O)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 48367912 QEXPBYBKIFTQDX-UHFFFAOYSA-N 391.453 1.696 5 40 GDBB C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@H]12 5423332 JOVMOAWNADVGIA-ZETOZRRWSA-N 390.392 1.956 5 40 GDBB CC1=NN(C(=O)c2ccn(Cn3nc(C)c([N+](=O)[O-])c3C)n2)[C@](O)(C(F)F)C1 17081232 HUIJOFCDHZUGET-OAHLLOKOSA-N 397.342 1.286 5 40 GDBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 247297236 CVZXNSIMGSRIKM-FJIDUMEYSA-N 389.367 1.951 5 40 GDBB C[C@H](C(=O)Nc1ncc([N+](=O)[O-])s1)N1C(=O)c2ccccc2S1(=O)=O 10188067 QPVMBGKTIPULLL-SSDOTTSWSA-N 382.379 1.223 5 40 GDBB CCOC(=O)c1cnc2n(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)NC(=S)N2 2033970191 XSTDEXJVGACOAE-NSHDSACASA-N 375.366 1.175 5 40 GDBB O=C1OCCN1CCOc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 12917017 AOVBDFHGDPUHKQ-UHFFFAOYSA-N 385.398 1.210 5 40 GDBB O=C(NCc1ccc(Br)o1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1 12374941 VGGGJQGGSNXHEL-UHFFFAOYSA-N 397.145 1.508 5 40 GDBB O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 103560565 HJSZGCVBLOWSJA-ZFWWWQNUSA-N 382.288 1.796 5 40 GDBB N=C(NC1=N[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N1)Nc1ccccc1 9264774 PCGSEVUGWTWAJO-CQSZACIVSA-N 395.379 1.414 5 40 GDBB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1[N+](=O)[O-] 52411094 TUERTPBSMXETSS-UHFFFAOYSA-N 376.394 1.894 5 40 GDBB COCCNc1nc(N)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1 54147617 IWYVVMSWSRXNNQ-UHFFFAOYSA-N 387.444 1.348 5 40 GDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCc1ccc2c(c1)OCCO2 12790935 LUNUZKKPWJIXIQ-UHFFFAOYSA-N 399.403 1.845 5 40 GDBB CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 103931476 XIDBSOTYHZKSKP-SGMGOOAPSA-N 381.454 1.963 5 40 GDBB O=C(CN1CCC[C@H](N2CCNC2=O)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 58107829 QRXUCSZKUSDNRP-LBPRGKRZSA-N 381.820 1.676 5 40 GDBB O=C(O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224749703 OFNKSVZZMAHITE-UHFFFAOYSA-N 380.334 1.603 5 40 GDBB Cc1ccc(N2C(=O)C[C@H](N3CCC4(CC3)OCCO4)C2=O)cc1[N+](=O)[O-] 20634509 HJGRZICYUYMDAX-HNNXBMFYSA-N 375.381 1.374 5 40 GDBB CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)O 3886334 FKLHANAHRWAYTA-AWEZNQCLSA-N 387.414 1.137 5 40 GDBB Nc1ncnc2c1ncn2CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1728051 GMXSHYDSPCQJQB-UHFFFAOYSA-N 386.328 1.045 5 40 GDBB biogenic Cn1ncc2c1ncn1nc(-c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)nc21 2803575 HATFSYXXZBUKOW-UHFFFAOYSA-N 376.340 1.226 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N(C)[C@@]1(O)C(F)(F)F 106213576 FZBUQKUKCOBWOJ-MJVIPROJSA-N 391.302 1.721 5 40 GDBB O=C(NCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C1CC1 25347209 ONNFXEGNUULNKL-UHFFFAOYSA-N 381.332 1.826 5 40 GDBB COCCNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 4435589 SHKXQTCLPZXPBA-HNNXBMFYSA-N 393.783 1.597 5 40 GDBB Cc1cc(C(=O)NCC(=O)OCC(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] 3401216 AIFNOOIGEQQURX-UHFFFAOYSA-N 391.424 1.967 5 40 GDBB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 3295530 OEZATFUFDPPLFD-LLVKDONJSA-N 384.410 1.556 5 40 GDBB COC(=O)c1cc(C(=O)OCC(=O)NCc2cccs2)cc([N+](=O)[O-])c1 3490160 XTISTSWYTGOFPE-UHFFFAOYSA-N 378.362 1.916 5 40 GDBB COc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1[N+](=O)[O-] 3406738 YJRCSITVASPTBQ-UHFFFAOYSA-N 379.350 1.559 5 40 GDBB O=[N+]([O-])c1ccc(CNc2ccc(N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2)cc1 575423231 ZMOFLKUXGKIMEI-IAGOWNOFSA-N 377.422 1.777 5 40 GDBB O=c1c2ccccc2c(O)nn1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 226762058 NWEDRPMPMXIZLJ-UHFFFAOYSA-N 381.392 1.790 5 40 GDBB O=C1Nc2ncccc2O[C@H]1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 63110740 AFHVZMLLQIGOIT-KRWDZBQOSA-N 383.408 1.902 5 40 GDBB CC(=O)C1=NO[C@@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@@H]12 4053634 VGUIOBKKQWHXEU-HZPDHXFCSA-N 375.381 1.898 5 40 GDBB O=C(Cc1ccccc1[N+](=O)[O-])NCC1(c2cccc3c2OCO3)OCCO1 1705836 OYOIMSYBWBVKCX-UHFFFAOYSA-N 386.360 1.882 5 40 GDBB O=C1c2cccc3c(N4CCOCC4)c([N+](=O)[O-])cc(c23)C(=O)N1CCCO 59116466 IZYQGKKQDORIEZ-UHFFFAOYSA-N 385.376 1.563 5 40 GDBB CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 6497405 RLZYKGSJPZTWQW-UHFFFAOYSA-N 378.381 1.862 5 40 GDBB CN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)NC(=O)NC2=O)[C@@H]1c1ccccc1 9089972 BEJYCGHGVCHSJA-HNNXBMFYSA-N 380.360 1.681 5 40 GDBB COCCn1ccc2nc3ccn(CCCN4CCOCC4)c(=O)c3cc2c1=O 38829216 YBQHCQMBKJDOGA-UHFFFAOYSA-N 398.463 1.080 5 40 GDBB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12752638 HWSZARPCUGDMOT-MRXNPFEDSA-N 375.406 1.456 5 40 GDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1 24207377 ORPCANAXRAZMBE-UHFFFAOYSA-N 391.449 1.906 5 40 GDBB CN(C)C(=O)[C@@H]1CCCN1c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] 8779868 LEWNGRSOJGBMQP-AWEZNQCLSA-N 398.485 1.729 5 40 GDBB O=C1[C@@H]2CCCCN2C(=O)N1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19911481 GPIAAPGFNDKAPX-KRWDZBQOSA-N 387.440 1.534 5 40 GDBB C[C@H]1CCCCN1C(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 3295529 OEZATFUFDPPLFD-NSHDSACASA-N 384.410 1.556 5 40 GDBB O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(=O)N2CCOCC2)cc1 12906802 ILCKVOZDFYKSIA-UHFFFAOYSA-N 383.404 1.926 5 40 GDBB COC(=O)c1cc(C(=O)NC2CCN(C(=O)C(C)C)CC2)cc([N+](=O)[O-])c1 25247607 WOOVFWYGAKUTDF-UHFFFAOYSA-N 377.397 1.758 5 40 GDBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(CC(=O)N2CCc3ccccc32)CC1 53776469 GHBVJATXZXUDMT-UHFFFAOYSA-N 394.431 1.942 5 40 GDBB COc1ccc(CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)cc1 1547206409 XHKJUJKHZZMFPD-CABCVRRESA-N 383.404 1.954 5 40 GDBB biogenic CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 5559337 CMGBENTXHUKLQF-AWEZNQCLSA-N 380.788 1.735 5 40 GDBB Cc1cccn2c(=O)c3cc(C(N)=S)c(=N)n(CCCOC(C)C)c3nc12 101032301 JFJKOXCNABRWKZ-UHFFFAOYSA-N 385.493 1.886 5 40 GDBB O=[N+]([O-])c1c(NCCCN2CCN(c3ncccn3)CC2)nc2sccn12 12519835 DSZUXAINRKELIK-UHFFFAOYSA-N 388.457 1.718 5 40 GDBB O=c1nc2n(-c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1 27520707 GTQDOHZSRRSENH-UHFFFAOYSA-N 379.288 1.995 5 40 GDBB COc1ccc(Cn2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)cc1 40398671 OWBKETKDRZFXRS-UHFFFAOYSA-N 376.416 1.966 5 40 GDBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C1=O 9262562 CYAHVFSEMMNTQR-AUEGDVLESA-N 382.350 1.907 5 40 GDBB COC(=O)c1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3cc([N+](=O)[O-])ccc32)c1 59497771 LPNBSHFPEAKVFS-UHFFFAOYSA-N 392.327 1.874 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2ccccc2[N+](=O)[O-])NC(=S)N[C@@]1(O)C(F)(F)F 106213781 GZQVHVYVHVDXPI-CWSCBRNRSA-N 393.343 1.544 5 40 GDBB Cn1cnc([N+](=O)[O-])c1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 7124385 CDALENVAAWVTEI-KPKJPENVSA-N 377.426 1.451 5 40 GDBB COCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=N 100815446 KKFBQRBLVVXSQI-UHFFFAOYSA-N 393.403 1.146 5 40 GDBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 22714876 ODKNTGHTUGTBLF-CQSZACIVSA-N 393.421 1.417 5 40 GDBB COc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc([N+](=O)[O-])c1O 105740982 JOABBEFVQKWCPW-BKKXBQFWSA-N 378.406 1.283 5 40 GDBB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccc([N+](=O)[O-])cc1 409220108 UHIQXKPYGDYYJR-UHFFFAOYSA-N 395.327 1.820 5 40 GDBB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 408621810 OEUQHGCPSQOHDX-HBRAGZAPSA-N 381.388 1.895 5 40 GDBB COc1cc(COC(=O)N[C@@H](Cc2cnco2)C(=O)O)c([N+](=O)[O-])cc1OC 215762514 GWNJHMYINKSEEI-NSHDSACASA-N 395.324 1.522 5 40 GDBB COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H](N2CCCC[C@@H]2CCO)C1=O 105330663 VLBRCCBSMWEZIQ-DOMZBBRYSA-N 377.397 1.472 5 40 GDBB COc1ccc(Cn2c(=N)c(C(N)=O)cc3c(=O)n4ccccc4nc32)cc1 100707495 QRFJUQXBFCJYAP-UHFFFAOYSA-N 375.388 1.284 5 40 GDBB CCN1CCN([C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1 89977315 KPGSVJLSWOVOIY-QGZVFWFLSA-N 376.457 1.673 5 40 GDBB NC(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 510645443 DNGBFNMRSJZYAS-AWEZNQCLSA-N 383.813 1.623 5 40 GDBB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1[N+](=O)[O-] 31997996 HELUVFOGWHDTQY-UHFFFAOYSA-N 390.421 1.445 5 40 GDBB COc1ccc(CCNC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1OC 95470268 KAKLHQPZDLCBJJ-UHFFFAOYSA-N 391.405 1.893 5 40 GDBB NS(=O)(=O)c1ccc(NNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 16218319 HMSXDEDAFDVUOZ-YGOYTEALSA-N 385.471 1.222 5 40 GDBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O 409074381 QLXCFBPKTKCEQO-ONUAPLEPSA-N 397.321 1.806 5 40 GDBB CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2nc1NC[C@@H]1CCCO1 19529389 VJXFTSIHFFMZFW-ZDUSSCGKSA-N 381.436 1.892 5 40 GDBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)N1CCCCC1 16739035 USOBIKHMPNLDBD-UHFFFAOYSA-N 377.401 1.638 5 40 GDBB C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H](C)O1 32871926 MUDGIZTYKZASBR-VXGBXAGGSA-N 386.474 1.542 5 40 GDBB O=C(c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 22960369 RWDVVOBKCHSSSU-UHFFFAOYSA-N 391.405 1.868 5 40 GDBB C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 12645735 NEFVVTZGUVMAIZ-LLVKDONJSA-N 394.409 1.646 5 40 GDBB CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 47173398 WEEUKHKIJAYYGA-UHFFFAOYSA-N 377.422 1.704 5 40 GDBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc(=O)n(C)c(=O)n1C 11510778 SHEKYEGKXZXFOB-JTQLQIEISA-N 379.394 1.216 5 40 GDBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])N1CCCCC1 4579942 AQJLOXCPXQTSPS-UHFFFAOYSA-N 397.453 1.771 5 40 GDBB COc1cc(C(=O)OCn2c(SC)nnc(C)c2=O)c([N+](=O)[O-])cc1OC 15391417 YANZXABIZOUFNB-UHFFFAOYSA-N 396.381 1.409 5 40 GDBB Cc1cccn2c(=O)c3cc(C(=O)NC[C@H]4CCCO4)c(=N)n(C(C)C)c3nc12 100630642 NGFBEBMIPSTMOU-CQSZACIVSA-N 395.463 1.927 5 40 GDBB O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1N1CCN(c2ccccc2F)CC1 4905535 LCUFTERIYWZIDO-UHFFFAOYSA-N 384.371 1.880 5 40 GDBB CC(=O)O[C@@H]1CO[C@@H](Nc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 6073935 AUBLYQAWASNETD-QBPKDAKJSA-N 396.352 1.158 5 40 GDBB CCOC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 106742313 LPICKPADIHPGPC-QCDXTXTGSA-N 380.334 1.923 5 40 GDBB COc1ccc2c3c1O[C@@H]1[C@]34CCN(C=O)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H]([N+](=O)[O-])C2 253504613 HPDRZNAVNJHXRU-NUADERNVSA-N 398.415 1.471 5 40 GDBB biogenic,in-vitro CC(=O)O[C@@H]1[C@@H](Oc2ccccc2[N+](=O)[O-])OC[C@@H](OC(C)=O)[C@H]1OC(C)=O 22065208 RSBQRDKQQIICFV-WCXIOVBPSA-N 397.336 1.125 5 40 GDBB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 4505337 XZFUGSKZZGFPSE-ZDUSSCGKSA-N 376.456 1.429 5 40 GDBB COCCn1nnnc1[C@H](C(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57670038 VSZRKQVLTJTRRN-KRWDZBQOSA-N 389.460 1.747 5 40 GDBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1 12484086 RXWHRXMUQBNLKF-UHFFFAOYSA-N 388.336 1.890 5 40 GDBB C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)NC1CC1 14247484 LRBSOYVKQPLWBK-SNVBAGLBSA-N 377.353 1.493 5 40 GDBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc2nsnc12 19078452 ZREHFZVXJHQWCZ-UHFFFAOYSA-N 383.345 1.834 5 40 GDBB COc1ccc2c3c1O[C@@H]1[C@]34CCN(C=O)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([N+](=O)[O-])C2 96316365 HPDRZNAVNJHXRU-PQQLZPAPSA-N 398.415 1.471 5 40 GDBB biogenic,in-vitro CC(C)[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8471783 BDTIOJMCSKSRGU-XHDPSFHLSA-N 375.381 1.511 5 40 GDBB O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 2055826 XPMOOAHIOSGJRD-UHFFFAOYSA-N 378.362 1.299 5 40 GDBB NC(=O)c1ccc(NCCCN2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 32760692 NGXBHOHOCORONQ-UHFFFAOYSA-N 385.428 1.108 5 40 GDBB CCc1c(C(=O)NCCNc2cnccn2)cnn1-c1ccc([N+](=O)[O-])cc1 30882197 ISHCAXPXRCAWHC-UHFFFAOYSA-N 381.396 1.975 5 40 GDBB Cc1cccc2c(=O)n(CC(=O)NCCNc3ccc([N+](=O)[O-])cc3)cnc12 9890839 KKMTVGGHSQBXBE-UHFFFAOYSA-N 381.392 1.841 5 40 GDBB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COc2cccnc2[N+](=O)[O-])n1 9114209 AALYMFDWCNZGLK-UHFFFAOYSA-N 383.368 1.908 5 40 GDBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cnn(CCF)c1 600313636 NQXBRUCQUKQFLA-LLVKDONJSA-N 399.404 1.844 5 40 GDBB C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@H](O)c2ccc3c(c2)OCO3)C1=O 62580042 BOQPORSMVVDNGH-IFXJQAMLSA-N 399.359 1.824 5 40 GDBB CCOC(=O)CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC 17014447 YCNSYBFPIAMUPL-USYSOWRXSA-N 378.381 1.999 5 40 GDBB Cc1cc(NC(=O)CN2CCC(C(N)=O)CC2)nc2c1c(=O)oc1ccccc12 17014081 DFNNXNUCKRIDJT-UHFFFAOYSA-N 394.431 1.785 5 40 GDBB COC(=O)c1ccccc1N1C(=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O 103611506 MMMQHJFAHMNBHD-HOCLYGCPSA-N 395.327 1.674 5 40 GDBB O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 103610255 WOCJGMGYXGLURX-GDBMZVCRSA-N 381.300 1.616 5 40 GDBB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCCn1cc([N+](=O)[O-])cn1 36614756 DMLMCMOVGVEREF-UHFFFAOYSA-N 378.361 1.368 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N[C@]1(O)C(F)(F)F 57531260 VXPATSMURSPXPK-OUJBWJOFSA-N 377.275 1.379 5 40 GDBB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c([N+](=O)[O-])cc21 15083570 PZUQKNUBXAQUGK-UHFFFAOYSA-N 393.352 1.117 5 40 GDBB O=C(NCCCO)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 72318891 NXQBTHZYMPHVPQ-UHFFFAOYSA-N 384.820 1.991 5 40 GDBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc([N+](=O)[O-])c2)cc1OC 224809647 ADEMAXYCAQHYRY-UHFFFAOYSA-N 396.377 1.892 5 40 GDBB O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1ccccc1[N+](=O)[O-] 12789179 BLUXEINFOIBTCP-UHFFFAOYSA-N 385.428 1.719 5 40 GDBB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(F)c([N+](=O)[O-])c1 12813186 WWEHCBQQLXJJNB-UHFFFAOYSA-N 398.350 1.744 5 40 GDBB Cc1cc(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)ccc1[N+](=O)[O-] 24755329 HERJSZBFVQKHET-UHFFFAOYSA-N 390.373 1.905 5 40 GDBB O=C1N[C@]2(CCSC2)C(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 31839559 NLNXYMXLBWZCPJ-HNNXBMFYSA-N 375.366 1.572 5 40 GDBB O=C(O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 408595950 YBMNOTUYCMFOEW-NTUHNPAUSA-N 384.304 1.759 5 40 GDBB Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 3434911 KZJOOVPBOZCPOY-UHFFFAOYSA-N 397.343 1.681 5 40 GDBB O=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 2782881 XXVDHRJBEPQYRL-UHFFFAOYSA-N 389.433 1.670 5 40 GDBB O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 25309852 QEPNWPXWDRFSIV-UHFFFAOYSA-N 382.486 1.833 5 40 GDBB COc1ccc(OC)c(CN2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)c1 47331251 OOWMKPFWGUYYOU-UHFFFAOYSA-N 375.429 1.976 5 40 GDBB NC(=O)c1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 58158672 NPKXYTPGHYEOFC-UHFFFAOYSA-N 383.408 1.454 5 40 GDBB O=C1[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 408718365 UJPCVZHBXAWVQV-YXMPFFBPSA-N 395.165 1.163 5 40 GDBB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)c1 47330983 NOAGBQLSIGUEKX-UHFFFAOYSA-N 393.469 1.764 5 40 GDBB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)C1 250674973 PCXQYXMRQBGWBN-BBRMVZONSA-N 389.408 1.810 5 40 GDBB O=C(Cc1ccc2c(c1)CCO2)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 604405879 SOGJYRSOZJWVRJ-ZBFHGGJFSA-N 395.415 1.880 5 40 GDBB biogenic CNS(=O)(=O)c1ccc(Sc2nc([C@@H]3CCCO3)n[nH]2)c([N+](=O)[O-])c1 12847807 OGNCBPBIYUAOLU-JTQLQIEISA-N 385.427 1.624 5 40 GDBB O=C(COC(=O)C1=COCCO1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 6932719 YBKHOZZTCQFXDJ-UHFFFAOYSA-N 376.243 1.984 5 40 GDBB COC(=O)c1ccc(S(=O)(=O)N2CCOc3ccccc32)c([N+](=O)[O-])c1 32085779 GKRMWBOOIWWYOB-UHFFFAOYSA-N 378.362 1.969 5 40 GDBB C[C@H]1CN(S(=O)(=O)CCNc2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 48286691 JAZCQRJVSQWHPJ-STQMWFEESA-N 394.453 1.994 5 40 GDBB Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O 84086281 LKASMPPLGBXXGA-GFCCVEGCSA-N 390.483 1.798 5 40 GDBB CN1CCN(c2cc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])ccn2)CC1 47672172 ONUSZDCJDYXKTH-UHFFFAOYSA-N 398.467 1.860 5 40 GDBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(C)=O 100521892 WWOHXVRNFUADNZ-UZYVYHOESA-N 398.419 1.228 5 40 GDBB O=C(NC(=S)NC1CCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408618589 DMHYTWZUURGPAQ-UHFFFAOYSA-N 378.454 1.978 5 40 GDBB O=C(COC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 102400267 JQKIQOICSOBBRN-ZIAGYGMSSA-N 387.348 1.028 5 40 GDBB NC(=O)c1cccc(CNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 32829778 CBBUMWFGEKUOEC-UHFFFAOYSA-N 384.392 1.778 5 40 GDBB Nc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 6830495 OBVPEQZRVBIPQX-QGZVFWFLSA-N 385.376 1.934 5 40 GDBB Cn1nc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2c1=O 4901049 AMHMDDFMCVUMEG-UHFFFAOYSA-N 393.403 1.804 5 40 GDBB Cc1nnc(C)n1-n1ccc2nc3ccn(-c4ccncc4)c(=O)c3cc2c1=O 38829290 SFWRITDDKBZACN-UHFFFAOYSA-N 385.387 1.615 5 40 GDBB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)c(OC)c1 103550278 DEPZQMSFQVKPSE-DOTOQJQBSA-N 397.343 1.905 5 40 GDBB O=C(NCc1cccnc1-n1cncn1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 48236029 MROVQNDCWIJCAV-UHFFFAOYSA-N 390.363 1.686 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])NC(=O)N[C@@H]1C 6053196 AZNQSBZBINNAEO-MRVPVSSYSA-N 397.771 1.924 5 40 GDBB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 6465945 SPUFRRAEEXMWPG-NSHDSACASA-N 398.437 1.993 5 40 GDBB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 8191488 BUHYODUAWMERFD-CQSZACIVSA-N 379.438 1.784 5 40 GDBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(cc(=O)[nH]c2=O)N1 628581 PIAYOCCGYDWDIA-MRXNPFEDSA-N 386.364 1.685 5 40 GDBB CCOc1ccc(C(=O)NC(=S)Nn2c(C)nnc2SC)cc1[N+](=O)[O-] 107792739 JUGJVGFJJJYJHR-UHFFFAOYSA-N 396.454 1.874 5 40 GDBB NC(=O)c1ccsc1NC(=O)COC(=O)COc1ccccc1[N+](=O)[O-] 3356348 GRKVDOZMQNBFKP-UHFFFAOYSA-N 379.350 1.316 5 40 GDBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C1 15173510 QUJKLYHJOXGERH-AWEZNQCLSA-N 382.486 1.767 5 40 GDBB O=C(c1cc(-c2ccco2)[nH]n1)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 524731339 UAWIWJQOEZCGQI-RYUDHWBXSA-N 395.375 1.999 5 40 GDBB biogenic CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 245285218 WLQFISPYPOHSQN-NJURLYQPSA-N 394.380 1.930 5 40 GDBB C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1nnn[nH]1 95941777 HIDUMFKYCHENRN-LLVKDONJSA-N 395.445 1.132 5 40 GDBB C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 16031474 ZPHWWXPGFONSCT-KXDDBMSCSA-N 392.371 1.540 5 40 GDBB biogenic C[C@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H](C)O1 32871930 MUDGIZTYKZASBR-RYUDHWBXSA-N 386.474 1.542 5 40 GDBB CCOC(=O)N[C@@H]1CCCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 55018027 IGMIGFMHUICNBE-SECBINFHSA-N 376.211 1.722 5 40 GDBB O=C(CCn1cnc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12763643 URFDUYCFFIVUOB-UHFFFAOYSA-N 393.425 1.605 5 40 GDBB C[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1nnn[nH]1 95941776 HIDUMFKYCHENRN-NSHDSACASA-N 395.445 1.132 5 40 GDBB C[C@H]1CN(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 12553723 KODNLFCTZAPHMT-OKILXGFUSA-N 384.458 1.071 5 40 GDBB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)nc2n1 14184338 FKHIJLKZUCCFHP-UHFFFAOYSA-N 384.352 1.753 5 40 GDBB COCCN(Cc1ccccn1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 40156734 DFWFRXICXJQYSB-UHFFFAOYSA-N 381.410 1.836 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 251162919 RYPPADQGEWNFRU-KCQAQPDRSA-N 381.454 1.974 5 40 GDBB Nc1nc(NCCN2CCOCC2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] 20443689 KTGZDTCRQPZLKT-UHFFFAOYSA-N 377.380 1.594 5 40 GDBB Cn1nc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)ccc1=O 24744264 OASXMOFFYVRMDR-UHFFFAOYSA-N 377.788 1.304 5 40 GDBB C[C@H]1C[C@H](C)CN(c2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C1 20461520 NEICZCYPVJXYTM-KBPBESRZSA-N 393.492 1.584 5 40 GDBB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 4090230 ULCFLMRJJZSUDF-MKSNKDDYSA-N 393.392 1.761 5 40 GDBB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 71980189 PHHXOAAVKCNTEQ-AWEZNQCLSA-N 397.815 1.986 5 40 GDBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 138306489 CJYDZOQNSMKQGM-LTBQAUOJSA-N 392.371 1.540 5 40 GDBB O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)c1 224558493 PTVWQUYIFAZIMP-UHFFFAOYSA-N 391.449 1.906 5 40 GDBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 247931506 CJYDZOQNSMKQGM-NBFIXFRYSA-N 392.371 1.540 5 40 GDBB Cc1csc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)n1 24175222 IQAYNPMCCKKQNF-UHFFFAOYSA-N 380.382 1.559 5 40 GDBB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(F)c([N+](=O)[O-])c1 4940600 LGYXBZIKJPKUHO-UHFFFAOYSA-N 379.325 1.517 5 40 GDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1COc2ccccc2O1 6260942 LNCWRDJMSPYZJN-OAHLLOKOSA-N 385.376 1.671 5 40 GDBB CCOC(=O)C1=C(COC(=O)Cc2ccccc2[N+](=O)[O-])NC(=O)N[C@H]1C 23078820 NIEKBKHQTNJZOR-JTQLQIEISA-N 377.353 1.199 5 40 GDBB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 225023638 XPJDULJPEVYRTD-UHFFFAOYSA-N 396.377 1.892 5 40 GDBB O=C(C[C@H]1SC(N2CCOCC2)=NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl 2646547 OZXLQULQPGJYDQ-GFCCVEGCSA-N 398.828 1.907 5 40 GDBB CCOC(=O)C1CCN(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 6497404 VTIZGNYLTXESEP-VMPITWQZSA-N 390.392 1.953 5 40 GDBB O=c1nc2n(C[C@@H](O)CN3CCCCC3)c3cc(Cl)ccc3nc-2c(=O)[nH]1 1670972 FUNLZKPQVPPYAW-LBPRGKRZSA-N 389.843 1.085 5 40 GDBB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 13149745 FARSZTSNMLECKS-ZIAGYGMSSA-N 389.364 1.252 5 40 GDBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 6785777 NBKHILJCATVCFE-UHFFFAOYSA-N 399.425 1.942 5 40 GDBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1n[nH]nc1NS(=O)(=O)c1ccccc1 8694928 JKEBYFYKPPLMKP-UHFFFAOYSA-N 388.365 1.766 5 40 GDBB CCOc1ccc(NC(=O)C[C@H](NC[C@H]2CCCO2)C(=O)O)c([N+](=O)[O-])c1 10434220 ZGEBXOOETXACNW-OCCSQVGLSA-N 381.385 1.544 5 40 GDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1-n1nnc2ccccc21 9630869 VDRPICOOFGYACQ-UHFFFAOYSA-N 389.393 1.350 5 40 GDBB CCOC(=O)c1cc(N2CCN(Cc3noc(C)n3)CC2)ccc1[N+](=O)[O-] 79048243 RIDFWWKSTDQCBF-UHFFFAOYSA-N 375.385 1.785 5 40 GDBB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 222582391 IFQNOGNIKIKHCK-UHFFFAOYSA-N 390.424 1.512 5 40 GDBB C[C@H](Cn1cc([N+](=O)[O-])cn1)c1n[nH]c(=S)n1CCCN1CCOCC1 22362993 OTLMTVPQRPZYMP-GFCCVEGCSA-N 381.462 1.571 5 40 GDBB O=C(CCN1C(=O)c2ccccc2C1=O)NCCNc1ccc([N+](=O)[O-])cc1 12634819 QIYAZWKJBUBQJH-UHFFFAOYSA-N 382.376 1.809 5 40 GDBB C[C@H](OC(=O)N[C@@H](CCCP(=O)(O)O)C(=O)O)c1ccccc1[N+](=O)[O-] 213214478 RLEANJAZNZWLHC-ONGXEEELSA-N 390.285 1.793 5 40 GDBB CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222530481 RBMRSMMUDPWGTC-INIZCTEOSA-N 398.485 1.350 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N2CCNC(=O)[C@H]2C(C)C)c([N+](=O)[O-])c1 89969053 CGAFABHLGRSAHT-MRXNPFEDSA-N 398.485 1.586 5 40 GDBB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4505349 JHOHAXZJARWCFF-CYBMUJFWSA-N 376.456 1.429 5 40 GDBB CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N 100851399 KPMDTUAWDZQERI-UHFFFAOYSA-N 388.431 1.630 5 40 GDBB CCOC(=O)C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)(NC(C)=O)C(=O)OCC 1692068 IINRGTWFETXCNC-UHFFFAOYSA-N 391.380 1.620 5 40 GDBB Cn1nc([N+](=O)[O-])c(I)c1I 4644797 BYVDNGFRQLKNMV-UHFFFAOYSA-N 378.895 1.538 5 40 GDBB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c([N+](=O)[O-])c1 408618182 CMBAEAIRMCPTST-UWTIAYHASA-N 381.388 1.895 5 40 GDBB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4ccc([N+](=O)[O-])o4)nn23)C1 1501040419 QFINQIXUBAFJTB-QMMMGPOBSA-N 398.426 1.493 5 40 GDBB CCC(=O)Nc1nnc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 223440375 VSGZVKAJJQJYHU-UHFFFAOYSA-N 387.399 1.604 5 40 GDBB CCCCOC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 19418296 WPTDIOVWVGGHEZ-OAHLLOKOSA-N 382.417 1.803 5 40 GDBB Cc1ccc(S(=O)(=O)Nc2c(C(N)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 80341334 NREXZARTMMCBNB-UHFFFAOYSA-N 380.338 1.711 5 40 GDBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2nnnn2-c2ccccc2)CC1 36763024 TWNSVEUZHDVEGG-UHFFFAOYSA-N 393.407 1.462 5 40 GDBB COc1ccc(N(CC(=O)O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC 225002023 GRPQMXMZBFSVHQ-UHFFFAOYSA-N 396.377 1.892 5 40 GDBB CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 5861124 YRMZHGMWSKWUDK-UHFFFAOYSA-N 395.375 1.352 5 40 GDBB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 409213493 PEXWBUJOCVOQSH-GHXNOFRVSA-N 395.393 1.872 5 40 GDBB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)C1=O 9720796 CYAHVFSEMMNTQR-VWJVTLSUSA-N 382.350 1.907 5 40 GDBB CCOC(=O)c1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc(=O)[nH]c1C 10213761 QCNZVZXBIZUZRE-UHFFFAOYSA-N 392.393 1.894 5 40 GDBB O=C(c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1)N1CCOCC1 23652911 VUEKUFHZTPMRBE-UHFFFAOYSA-N 378.429 1.201 5 40 GDBB Cc1nn(CC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(C)c1[N+](=O)[O-] 22357696 AVECXPMZLZJNCQ-AWEZNQCLSA-N 393.469 1.659 5 40 GDBB CN(C)C(=O)[C@H]1CCCN1c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] 8779866 LEWNGRSOJGBMQP-CQSZACIVSA-N 398.485 1.729 5 40 GDBB O=c1[nH]c(O)nc(/C=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1[N+](=O)[O-] 34863883 RIXMJDHOQDKYAT-OWOJBTEDSA-N 399.113 1.930 5 40 GDBB O=C(OCc1cc(=O)n2ccsc2n1)c1cc2c(cc1[N+](=O)[O-])OCO2 23291519 ZRECJLVJKLXDLL-UHFFFAOYSA-N 375.318 1.750 5 40 GDBB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)CC1 102241952 QGPOHULWFLPQSG-INIZCTEOSA-N 389.408 1.810 5 40 GDBB COc1ccc(-n2nnc3c(=O)n(Cc4cccc([N+](=O)[O-])c4)cnc32)cc1 4139917 YRNPNQIHVTWRLN-UHFFFAOYSA-N 378.348 1.942 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 2701610 ZQMXZPKKTGFRJZ-MISXGVKJSA-N 391.302 1.721 5 40 GDBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CC(N)=O)cs1 25324861 HKJPSDCCZBSIAD-UHFFFAOYSA-N 379.398 1.390 5 40 GDBB O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)NCc1ccccc1 36389703 UJDAVJFNEFNIKN-UHFFFAOYSA-N 382.420 1.669 5 40 GDBB C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N1CCCC1 4579924 WEUTUFVTIAEBND-ZDUSSCGKSA-N 397.453 1.769 5 40 GDBB O=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12860066 IFCPZAXFJVHYMT-UHFFFAOYSA-N 382.442 1.507 5 40 GDBB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(F)c([N+](=O)[O-])c1 4940666 LTHRNBUZZOBVMU-UHFFFAOYSA-N 393.352 1.907 5 40 GDBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)cc1OC 103519278 GMLKAZZYJGHRQO-RDJZCZTQSA-N 397.343 1.905 5 40 GDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1COc2ccccc2O1 30495337 GGWMHPRANXCNHH-LBPRGKRZSA-N 380.378 1.722 5 40 GDBB C[C@H](C(=O)Nc1ncccc1O)[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 588862033 JFWMVHUJOKQOOS-WDEREUQCSA-N 376.373 1.062 5 40 GDBB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 100534661 TWJKYCDAQQTRKJ-SYWGBEHUSA-N 386.360 1.352 5 40 GDBB Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 20800083 HDBJQVDTWRYGEF-GFCCVEGCSA-N 397.395 1.632 5 40 GDBB Cc1nn(C)c(C)c1Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 12543248 RPUZDIBFAUJPRG-UHFFFAOYSA-N 395.441 1.710 5 40 GDBB Cc1cc(C(=O)NCC(=O)OCC(=O)NCCc2ccccc2)ccc1[N+](=O)[O-] 3264055 HQWWKIKOAYBFTA-UHFFFAOYSA-N 399.403 1.535 5 40 GDBB Cc1c(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cccc1[N+](=O)[O-] 14287361 SYINDOURPIRKCG-UHFFFAOYSA-N 383.158 1.154 5 40 GDBB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 24167288 LONFLOKAHYPWKQ-CQSZACIVSA-N 397.435 1.843 5 40 GDBB Cc1c([N+](=O)[O-])cnn1CCC(=O)Nc1cnn(C)c1C(=O)N1CCCCC1 2732818 NIUXIWFPBTVFGR-UHFFFAOYSA-N 389.416 1.488 5 40 GDBB COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1 22990065 RXYABTVPYHWJDL-UHFFFAOYSA-N 395.393 1.586 5 40 GDBB O=C(c1ccc(O)nn1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 24839021 GAPKGYMKCGRAFQ-UHFFFAOYSA-N 380.364 1.601 5 40 GDBB CCN(C(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 14236688 MIZDJIHACYHQPQ-BXUZGUMPSA-N 384.410 1.176 5 40 GDBB COC(=O)Cn1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 83891326 YIFWZJQTLNUYKG-UHFFFAOYSA-N 388.384 1.602 5 40 GDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Oc1ccc2ccc(=O)oc2c1 713346 DUARMDKGDYQZAC-UHFFFAOYSA-N 394.295 1.903 5 40 GDBB COc1ccc(CCN(C)c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1OC 15210736 LXBBVQMAKXWMRY-UHFFFAOYSA-N 395.437 1.938 5 40 GDBB C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 11025955 YJYHDWPJIJRQDD-JTQLQIEISA-N 393.377 1.426 5 40 GDBB CN(C1CCCCC1)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 32809523 FKFHIYCBMFOQRZ-UHFFFAOYSA-N 383.474 1.621 5 40 GDBB CC1CCN(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2NCCO)CC1 12606513 MSBITTLRFLICGM-ZDUSSCGKSA-N 379.413 1.803 5 40 GDBB CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 13509619 ULCFLMRJJZSUDF-DRMAHVMPSA-N 393.392 1.761 5 40 GDBB COC(=O)[C@]1(Sc2ccccc2[N+](=O)[O-])OC[C@H]2OC(C)(C)O[C@H]2[C@@H]1O 16605463 KLJTZOZTLAIEFZ-KBNOKHGBSA-N 385.394 1.467 5 40 GDBB C[C@H](OC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)Nc1cccc([N+](=O)[O-])c1 22012963 UFZHBZNCRFUHIX-SVKFGRERSA-N 393.421 1.919 5 40 GDBB COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(C)c2=N)cc1 100755050 YPIIEUKLFCBMJD-UHFFFAOYSA-N 389.415 1.604 5 40 GDBB biogenic CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1 13154904 LRQXDKAQYSRKPX-DRMAHVMPSA-N 393.392 1.761 5 40 GDBB O=C(Nc1nnc(S(=O)(=O)N2CCCC2)s1)c1cccc([N+](=O)[O-])c1 15936314 GJDAUOCFTWXPFT-UHFFFAOYSA-N 383.411 1.483 5 40 GDBB CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2[N+](=O)[O-] 11617007 GXSOIDVPIMWEQT-FQEVSTJZSA-N 393.355 1.988 5 40 GDBB investigational CN1CCN(S(=O)(=O)c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)CC1 34859763 NWHJWLORFXGXIU-UHFFFAOYSA-N 397.482 1.416 5 40 GDBB CCN(C(=O)[C@@H](C)Oc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 7772167 XFUOYMUCFFGVCR-VXGBXAGGSA-N 386.426 1.406 5 40 GDBB CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O 4624017 LHNTXHHZKWQKRY-DNVCBOLYSA-N 386.408 1.985 5 40 GDBB O=c1nc2ccccn2c2cc(Cl)c(S(=O)(=O)N3CCOCC3)cc12 4708601 WHFIRDQDXWMDOW-UHFFFAOYSA-N 379.825 1.522 5 40 GDBB O=C(CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21)Nc1ccccc1[N+](=O)[O-] 20182549 IYSOSMSCXDZUFN-JKSUJKDBSA-N 394.347 1.527 5 40 GDBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 2357954 UEDULZDJQOYAMT-UHFFFAOYSA-N 388.380 1.979 5 40 GDBB CC(=O)O[C@@H]1CO[C@H](Oc2ccccc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]1OC(C)=O 35645793 RSBQRDKQQIICFV-QBPKDAKJSA-N 397.336 1.125 5 40 GDBB COC[C@@H](C)N1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 12862439 ZVKDGJZVENGCOF-CABCVRRESA-N 390.440 1.127 5 40 GDBB CCCn1c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)n[nH]c1=O 9630712 SGORBHVZEFKAKV-UHFFFAOYSA-N 381.414 1.937 5 40 GDBB NS(=O)(=O)c1ccc(NNC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 16218320 HMSXDEDAFDVUOZ-SBMIAAHKSA-N 385.471 1.222 5 40 GDBB O=C1[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 103560553 HJSZGCVBLOWSJA-UKRRQHHQSA-N 382.288 1.796 5 40 GDBB CCN1CCN(C(=O)[C@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 32860284 QBHHRYQVVVWYCO-LBPRGKRZSA-N 393.396 1.075 5 40 GDBB COc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 10024727 CHROZKITOHEBDG-UONOGXRCSA-N 398.437 1.412 5 40 GDBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NCc1ccc2c(c1)OCO2 58160152 XOROUQYLXWPFTE-UHFFFAOYSA-N 398.419 1.762 5 40 GDBB O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O)N1CCCC1 205869219 HFFFZRAUXCIMKX-MDWZMJQESA-N 377.378 1.959 5 40 GDBB COc1ccc(S(=O)(=O)N2CC(Nc3nc(C)ccc3[N+](=O)[O-])C2)cc1 89626869 XOHOETJKWHAXOH-UHFFFAOYSA-N 378.410 1.792 5 40 GDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5221476 ZUVVJCREOQKTGT-AWEZNQCLSA-N 397.387 1.830 5 40 GDBB CC(=O)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 4280368 ASACSQCDLXBISL-UHFFFAOYSA-N 388.405 1.912 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2CN[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 248128570 WHNKKZPZINDTMQ-CBLJQSSYSA-N 392.371 1.460 5 40 GDBB CC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3N)ccc21 24725835 KRRLCSSSDUKXGA-UHFFFAOYSA-N 398.375 1.882 5 40 GDBB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 224195917 AQEMAYTZGJTUQQ-UHFFFAOYSA-N 393.421 1.654 5 40 GDBB CNc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-] 6509858 KQHIVCFOKMAVKT-UHFFFAOYSA-N 396.400 1.370 5 40 GDBB C[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 4976679 HBHICNKCICSATJ-NSHDSACASA-N 397.343 1.761 5 40 GDBB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1cccc([N+](=O)[O-])c1 7916215 SYIRGEFCEFRLJZ-UHFFFAOYSA-N 380.360 1.605 5 40 GDBB O=C(COC(=O)CCS(=O)(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] 7737903 VAPJAZMEUSCROK-UHFFFAOYSA-N 392.389 1.941 5 40 GDBB COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]([C@@H]1CCOC1)N1CCOCC1 24204622 PAKRQWLPEBHZDK-DYVFJYSZSA-N 379.413 1.531 5 40 GDBB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 6535412 LPAWIJZDSXVESZ-UHFFFAOYSA-N 394.771 1.920 5 40 GDBB Cn1c(=O)c2nc([N+](=O)[O-])n(Cc3coc(-c4cccs4)n3)c2n(C)c1=O 8984978 AIDAKAGBPAHCBB-UHFFFAOYSA-N 388.365 1.107 5 40 GDBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 409095510 CYFBFIZNKCDPIO-KEXZDQNZSA-N 382.350 1.907 5 40 GDBB COc1ccc(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1OC 8149640 AOGGICUARYZCMT-UHFFFAOYSA-N 381.410 1.914 5 40 GDBB Cc1nn(C)c(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 15113525 ITKMRUOYOAGOJO-UHFFFAOYSA-N 395.441 1.710 5 40 GDBB COC(=O)CSc1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 223683982 BDHBDCOTJACBKL-UHFFFAOYSA-N 390.424 1.512 5 40 GDBB CCN(CC)C(=O)CN1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 29027542 IQUHUGYHLNJJEO-UHFFFAOYSA-N 376.457 1.920 5 40 GDBB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])ccc1Cl 71980090 QXKBGCLYWNPQCH-CYBMUJFWSA-N 383.788 1.596 5 40 GDBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1 7939676 GSQDJSDCSMCAGP-SRSGBDCUSA-N 390.348 1.283 5 40 GDBB COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 113892676 BLUDALQTFRLAHW-UHFFFAOYSA-N 396.377 1.892 5 40 GDBB Cc1ccc(NC(=O)/C=c2/[nH]c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)s2)cc1 105626369 BVXREIZFPWQEHO-NHLSHGKWSA-N 381.413 1.901 5 40 GDBB COc1ccc(F)cc1C(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 8134931 TWQXMBAYOZRICR-UHFFFAOYSA-N 390.323 1.898 5 40 GDBB NC(=O)c1ccc(SCC(=O)OCC(=O)N2CCCCC2)c([N+](=O)[O-])c1 23080005 IZPYLVPZCSZJSF-UHFFFAOYSA-N 381.410 1.342 5 40 GDBB COC[C@H](C)n1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1C 27053606 XSHULDPTEQRJLJ-NSHDSACASA-N 390.396 1.364 5 40 GDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1cccc(F)c1 6465265 IOPFGLVZNRPYNJ-UHFFFAOYSA-N 377.328 1.934 5 40 GDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1 84041520 DOWLZVRUAUSYCU-AWEZNQCLSA-N 398.462 1.967 5 40 GDBB COC(=O)c1sc2ncn3nc(CCn4cnc([N+](=O)[O-])n4)nc3c2c1C 2803944 NEUCZNYXDRWYDG-UHFFFAOYSA-N 388.369 1.176 5 40 GDBB Cc1nn2c(SCC(=O)Nc3nncs3)nc3ccccc3c2nc1=O 58180668 MKQBXSOVQAZILH-UHFFFAOYSA-N 385.434 1.528 5 40 GDBB O=C1[C@@H]2CCCN2C(=O)N1CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4661376 UINIZMWHKSTUGR-KRWDZBQOSA-N 387.440 1.534 5 40 GDBB CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)C(C)(C)C)cc1[N+](=O)[O-] 9217919 XERSXPFEHRKNRU-UHFFFAOYSA-N 387.414 1.073 5 40 GDBB CCOc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)O 32687734 FKCHQVAUMXHVAZ-HYXAFXHYSA-N 377.309 1.416 5 40 GDBB CCn1cc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)c([N+](=O)[O-])n1 83843364 QVUOYZHYSNYNBY-UHFFFAOYSA-N 379.398 1.504 5 40 GDBB CN1CCCN(C(=O)CCn2cnc([N+](=O)[O-])c2)c2nc3ccccc3nc21 25264694 CPKRWFPRTPYVHS-UHFFFAOYSA-N 381.396 1.998 5 40 GDBB CNS(=O)(=O)c1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 36392683 UYACCGSGTCDFOT-UHFFFAOYSA-N 379.394 1.198 5 40 GDBB C[C@H]1CCCN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 12948112 YHTAKRSOQOWQSV-NSHDSACASA-N 395.437 1.588 5 40 GDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)Cn3cnc4ccccc43)cc21 16363839 YDHRVAUAFIVPGM-UHFFFAOYSA-N 380.364 1.774 5 40 GDBB O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3COC4(CCCCC4)O[C@@H]3[C@H](O)[C@H]2O)cc1 106384510 ISZQEKQIBZZACU-OVYGPGRDSA-N 381.381 1.496 5 40 GDBB Nc1nc(NCCCN2CCOCC2)nc(Nc2ccccc2F)c1[N+](=O)[O-] 20292740 UURXWXGXAWWKQC-UHFFFAOYSA-N 391.407 1.984 5 40 GDBB NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 9139268 IULSTWYXVCZOLW-UHFFFAOYSA-N 380.407 1.369 5 40 GDBB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Nc1ccc([N+](=O)[O-])cc1 33892659 WLQFISPYPOHSQN-JAAXMTQOSA-N 394.380 1.930 5 40 GDBB Cc1nc(N2CCN(c3ccccc3)CC2)nc(N2CCOCC2)c1[N+](=O)[O-] 36708789 NJXOBFNHULKMMY-UHFFFAOYSA-N 384.440 1.856 5 40 GDBB CC(C)[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCCS1(=O)=O 84409268 NHZFOUZXJOQRST-OAHLLOKOSA-N 384.458 1.183 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387378 CGJFHNCGEMXXEJ-OPQQBVKSSA-N 377.275 1.379 5 40 GDBB CC(=O)c1ccc(NCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 40091246 YIGDJMUXJPGDKC-TXEJJXNPSA-N 385.442 1.648 5 40 GDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](c3nncn3C)C2)c1C 32911892 NZYIBWCOSSAVBQ-ZDUSSCGKSA-N 379.442 1.908 5 40 GDBB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 975060 ULCFLMRJJZSUDF-RCJHGTSTSA-N 393.392 1.761 5 40 GDBB CNC(=O)[C@H]1Cc2ccccc2CN1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 12944987 NQVFWEWSRUAKRJ-MRXNPFEDSA-N 382.376 1.633 5 40 GDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)NCc1cccs1 6345641 QOIOXCVSPRIGMT-UHFFFAOYSA-N 379.394 1.534 5 40 GDBB O=C(OCc1ccccc1)C1=NN[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 101101418 CEKOSPYTGYZEGO-GJZGRUSLSA-N 394.343 1.155 5 40 GDBB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 12920653 NPKATOWTKJSAGQ-CYBMUJFWSA-N 398.419 1.683 5 40 GDBB CC(C)c1noc(CN2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 22891837 GTLGBHZSGQZDDV-UHFFFAOYSA-N 388.428 1.518 5 40 GDBB COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 521703189 CAHMEVPNHNSJNO-UHFFFAOYSA-N 392.456 1.847 5 40 GDBB CNC(=O)COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 223279663 PFYSPDIUMNDKFJ-UHFFFAOYSA-N 379.394 1.829 5 40 GDBB O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 103615921 RJKPZJOBQKDYHJ-RDJZCZTQSA-N 395.327 1.659 5 40 GDBB CC(=O)O[C@H]1CO[C@@H](Nc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 6073952 AUBLYQAWASNETD-YLFCFFPRSA-N 396.352 1.158 5 40 GDBB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1OC 102550467 RVJLFDUNQAHSQX-NVXWUHKLSA-N 397.343 1.905 5 40 GDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)c1C 12526368 CNMYHRLRASJFFE-UHFFFAOYSA-N 379.394 1.877 5 40 GDBB CCNC(=O)C1CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 79016336 BCQLORQSXZPMOB-UHFFFAOYSA-N 396.469 1.342 5 40 GDBB Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12589471 KUHSEKKWQFLELN-UHFFFAOYSA-N 384.439 1.164 5 40 GDBB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 58438301 PLIDCTWONUANTN-UGSOOPFHSA-N 388.424 1.543 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCOCC2)nc1 12791326 XWKGECZTNFJEBU-UHFFFAOYSA-N 392.437 1.613 5 40 GDBB COc1ccc(C2N3CC4([N+](=O)[O-])CN2CC([N+](=O)[O-])(C3)C4(C)C)cc1OC 19325760 NPKUOPPJWIPKGM-UHFFFAOYSA-N 392.412 1.404 5 40 GDBB biogenic CNC(=O)c1ccc(NCCNc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 79102820 VFFHMZRGHOUEHP-UHFFFAOYSA-N 382.384 1.454 5 40 GDBB CNS(=O)(=O)c1ccc(N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c([N+](=O)[O-])c1 36391022 UNRQRGZJYDHHMS-SECBINFHSA-N 391.409 1.846 5 40 GDBB CCOC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4099561 LRQXDKAQYSRKPX-OLMMMNRUSA-N 393.392 1.761 5 40 GDBB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 6362105 IRMXPLQLQLFORB-UHFFFAOYSA-N 379.394 1.772 5 40 GDBB NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1 24845939 UEFXYCPKMUMHJM-UHFFFAOYSA-N 399.812 1.591 5 40 GDBB CCCCn1c(N)c(N(CC)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(=O)[nH]c1=O 7654338 OVJIJCGLLMBVNT-UHFFFAOYSA-N 389.412 1.802 5 40 GDBB COc1ccc(CCNC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1 6083402 AFWURDOAGWTUGV-UHFFFAOYSA-N 382.376 1.672 5 40 GDBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc([N+](=O)[O-])c1O 33448202 IPISNRKXMMSHHF-WDZFZDKYSA-N 382.350 1.908 5 40 GDBB O=c1c([N+](=O)[O-])c(NC[C@H](O)CN2CCc3ccccc3C2)nc2ccccn12 40083107 YJNHWMHJXWQJJZ-INIZCTEOSA-N 395.419 1.434 5 40 GDBB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 100537946 YXWCTSYOWYFRBL-SYWGBEHUSA-N 386.360 1.352 5 40 GDBB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 28207297 DHWZTOCVMCBDFQ-UHFFFAOYSA-N 379.394 1.863 5 40 GDBB C[C@@H](O)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 13554860 NUKYLILLNPLJJG-BDJLRTHQSA-N 384.344 1.684 5 40 GDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O 33763036 CBMGNTOTSYVANV-UHFFFAOYSA-N 393.421 1.686 5 40 GDBB O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(S(=O)(=O)NC2CC2)cc1 48367868 HXJGGPNBOAQBAD-UHFFFAOYSA-N 389.433 1.894 5 40 GDBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@H]1C=C[C@@]2(CO)O1 408718366 UJPCVZHBXAWVQV-ZAZJYDDPSA-N 395.165 1.163 5 40 GDBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2OC)cc1 224864224 SINICHPQADCAQT-UHFFFAOYSA-N 396.377 1.892 5 40 GDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1cccc([N+](=O)[O-])c1 8643569 KCXQIEDDRLHSKW-UHFFFAOYSA-N 385.288 1.842 5 40 GDBB O=c1[nH]c(/C=C/c2ccccc2I)c([N+](=O)[O-])c(=O)[nH]1 12351826 CFQLRLBQQIJYRD-AATRIKPKSA-N 385.117 1.746 5 40 GDBB O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 48340967 SNOFFWJVQWFTGV-UHFFFAOYSA-N 398.423 1.516 5 40 GDBB Cc1nn(CC(=O)OCC(=O)NCCc2ccc(F)cc2)c(C)c1[N+](=O)[O-] 6067939 XWTJBURONXRJHI-UHFFFAOYSA-N 378.360 1.449 5 40 GDBB COc1cccc(/C=c2\sc3n(c2=O)CN(c2ccc([N+](=O)[O-])cc2)CN=3)c1 4974019 VQJQIHCZKYNZRV-YVLHZVERSA-N 396.428 1.710 5 40 GDBB C[C@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2S1(=O)=O 4940803 UTTCWAUJIGCBTK-SECBINFHSA-N 393.352 1.906 5 40 GDBB CCOC(=O)CC[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC 4958174 YCNSYBFPIAMUPL-OCOPJHETSA-N 378.381 1.999 5 40 GDBB COc1ccccc1CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 18956397 SYIWNALYDRONKV-UHFFFAOYSA-N 383.360 1.558 5 40 GDBB CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](Oc2ccccc2[N+](=O)[O-])[C@@H]1OC(C)=O 253492953 RSBQRDKQQIICFV-YYIAUSFCSA-N 397.336 1.125 5 40 GDBB O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc2[nH]c(=O)[nH]c2c1 2634507 HZFRNSCNABRDPT-VMPITWQZSA-N 382.332 1.960 5 40 GDBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 5663391 POHYPWCIOBZDHW-CYBMUJFWSA-N 398.287 1.200 5 40 GDBB CC(C)NC(=O)NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5711550 PKCWCIJCVXQXAW-UHFFFAOYSA-N 378.385 1.586 5 40 GDBB CC(C)[C@H](CNc1sc(S(N)(=O)=O)cc1[N+](=O)[O-])N1CCOCC1 78809048 KZPBRPXQCUQMMH-NSHDSACASA-N 378.476 1.072 5 40 GDBB Cc1cc(C)c(S(=O)(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 3175949 ASOYOFUYFYVHEC-IAGOWNOFSA-N 394.449 1.893 5 40 GDBB COc1nc(C)nc(NC(=O)NC(=O)c2c(Cl)nc(C)c([N+](=O)[O-])c2C)n1 3672602 RHHZIBBKEGQCMX-UHFFFAOYSA-N 395.763 1.724 5 40 GDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 40074487 YTGGCGLIRDQEKK-UHFFFAOYSA-N 376.394 1.137 5 40 GDBB Cc1ccc(NC(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)cc1[N+](=O)[O-] 2647479 OQHZFIDWPSCVQM-NSHDSACASA-N 375.337 1.796 5 40 GDBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC(=O)NCc1ccccc1 35610064 FSSLURIOHCKSOD-UHFFFAOYSA-N 397.435 1.743 5 40 GDBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)NC1CCCC1 12734277 ARQAUQFRSNZNJU-NWDGAFQWSA-N 377.397 1.704 5 40 GDBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6237222 OMXJQGAATIWIBV-UHFFFAOYSA-N 399.425 1.942 5 40 GDBB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 4505336 XZFUGSKZZGFPSE-CYBMUJFWSA-N 376.456 1.429 5 40 GDBB Cc1nc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cs1 9256562 FFRFATTXHWKDJJ-UHFFFAOYSA-N 399.450 1.960 5 40 GDBB CC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)cc1 39951980 RRYXROFGJIJXCP-UHFFFAOYSA-N 399.406 1.033 5 40 GDBB CC(C)CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 8694149 GNRBQXQQQGUEOQ-NSHDSACASA-N 388.398 1.016 5 40 GDBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)N1CCOCC1 210852870 AXNZGUXUMOETFJ-UKTHLTGXSA-N 377.378 1.490 5 40 GDBB CC1(C)O[C@@H]2O[C@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 245238886 CCRYLXMJSTVYDO-HJPYRHJCSA-N 398.368 1.314 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2CN[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 9328956 WHNKKZPZINDTMQ-APXLUKDGSA-N 392.371 1.460 5 40 GDBB O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 54795556 WOLFWIUQBRVGOD-UHFFFAOYSA-N 384.297 1.931 5 40 GDBB COc1cccc(N2C(=O)[C@@H]3NN=C(C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c1 17822263 MUVYEQFSNMXUFP-GOEBONIOSA-N 394.343 1.304 5 40 GDBB COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H](N2CCCC[C@H]2CCO)C1=O 250286819 VLBRCCBSMWEZIQ-SWLSCSKDSA-N 377.397 1.472 5 40 GDBB CS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 51207692 OYIWRWDALCZORK-UHFFFAOYSA-N 379.394 1.666 5 40 GDBB COC(=O)c1ccccc1N1C(=O)[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 101011938 IUEZNBBMNDWXAK-ZBFHGGJFSA-N 395.327 1.674 5 40 GDBB C[C@@H]1[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCS1(=O)=O 599733344 RAMBAFRUZXCDEU-VXNVDRBHSA-N 379.341 1.893 5 40 GDBB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 24222816 XXDSKGDEXUVMJA-UHFFFAOYSA-N 385.423 1.646 5 40 GDBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@]1(CO)C=C[C@H]2O1 408718363 UJPCVZHBXAWVQV-BLTAXRJOSA-N 395.165 1.163 5 40 GDBB C[C@H](CN1CCOC1=O)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 58166871 ODKQQTKQPKWZRQ-LLVKDONJSA-N 392.368 1.240 5 40 GDBB C[C@@H]1CN(S(=O)(=O)CCNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)O1 58162681 LXBHLTHSRYALQC-CHWSQXEVSA-N 394.453 1.994 5 40 GDBB COc1ccc(S(=O)(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] 69868605 MQDCPLZFUNBKDR-AWEZNQCLSA-N 399.469 1.336 5 40 GDBB Cn1c([N+](=O)[O-])cnc1COc1ccc(NC(=O)CN2CCOCC2)cc1 13207588 ZOXMMTYJTZVETH-UHFFFAOYSA-N 375.385 1.178 5 40 GDBB CCCS(=O)(=O)NC1CCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1 29589018 WXLYNFZEUVEORZ-UHFFFAOYSA-N 384.462 1.257 5 40 GDBB CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)O[C@@H]1OC(C)(C)O[C@H]21 4028654 WLQFISPYPOHSQN-WZYWGQKZSA-N 394.380 1.930 5 40 GDBB biogenic COc1ccc(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)c([N+](=O)[O-])c1 9154195 SNRYXPIOYATXPJ-CYBMUJFWSA-N 394.409 1.262 5 40 GDBB Cc1cc(C(=O)N2CCN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])CC2)c(C)o1 40153861 ZIYVDEJNGYZBNY-UHFFFAOYSA-N 397.391 1.775 5 40 GDBB O=[N+]([O-])c1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1SCCO 409331643 DZCUZOYMSRIEAM-HNQUOIGGSA-N 380.338 1.959 5 40 GDBB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1[N+](=O)[O-] 408621816 OEUQHGCPSQOHDX-UQBFBZJBSA-N 381.388 1.895 5 40 GDBB CN(C(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 57376089 ZYACAFZBGDPYPK-UHFFFAOYSA-N 377.397 1.659 5 40 GDBB CCOC(CN(Cc1ccccc1)c1nc(N)[nH]c(=O)c1[N+](=O)[O-])OCC 4114217 WFXZEUIXRHNISL-UHFFFAOYSA-N 377.401 1.666 5 40 GDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1 3040471 UKYVEAGJZRGRAS-HOTGVXAUSA-N 389.320 1.349 5 40 GDBB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c([N+](=O)[O-])c1 408618181 CMBAEAIRMCPTST-RDXDGJJNSA-N 381.388 1.895 5 40 GDBB CC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 34806985 HQUZSMUQRFDJGP-UHFFFAOYSA-N 399.363 1.247 5 40 GDBB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc([N+](=O)[O-])cc1 20753406 FZWXEMLNPCXFCB-UHFFFAOYSA-N 375.312 1.646 5 40 GDBB COc1ccc2c3c1O[C@H]1[C@]34CCN(C=O)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H]([N+](=O)[O-])C2 253504606 HPDRZNAVNJHXRU-GGMGRWIBSA-N 398.415 1.471 5 40 GDBB biogenic,in-vitro O=C(CCNS(=O)(=O)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 54758239 KYGNHAHTNAOSKA-UHFFFAOYSA-N 375.406 1.853 5 40 GDBB COCC(=O)N[C@H]1CCCC[C@]12CN(Cc1cc(O)ccc1[N+](=O)[O-])CCO2 306137141 QMMAUDHCVKKUKG-HKUYNNGSSA-N 393.440 1.577 5 40 GDBB COC(=O)[C@H](CC(C)C)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 12578973 PKMGIWYKMABFHF-AWEZNQCLSA-N 376.369 1.009 5 40 GDBB Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 31798510 HZEQCOITURZAGM-UHFFFAOYSA-N 398.297 1.821 5 40 GDBB O=C(NCC(O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 4109696 IJFPVWWGEJABRP-UHFFFAOYSA-N 388.336 1.024 5 40 GDBB COC(=O)c1cc(C(=O)NCc2cccnc2-n2cccn2)cc([N+](=O)[O-])c1 31228433 YICWQKSEQIXSJN-UHFFFAOYSA-N 381.348 1.892 5 40 GDBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@H]1CS(=O)(=O)C[C@H]1O 12139531 XURATZWXUWJWDY-IMTBSYHQSA-N 385.276 1.092 5 40 GDBB O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2 103615913 RJKPZJOBQKDYHJ-NVXWUHKLSA-N 395.327 1.659 5 40 GDBB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)CC1 104346196 BWAVVCVXCIJUNH-OAHLLOKOSA-N 375.381 1.502 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N(C)[C@@]1(O)C(F)(F)F 106213581 FZBUQKUKCOBWOJ-WDMOLILDSA-N 391.302 1.721 5 40 GDBB CC(C)[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCOCC1 27369699 GGWALLWVACRWGX-QGZVFWFLSA-N 379.461 1.663 5 40 GDBB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccccc1[N+](=O)[O-] 6944175 MDLCWTLHWRLPIT-UHFFFAOYSA-N 383.316 1.373 5 40 GDBB CCNC(=O)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 35306489 XLXLYESBNRBBDO-UHFFFAOYSA-N 386.412 1.111 5 40 GDBB COc1cc(CCC(=O)N2C[C@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)on1 604403889 CCPYSXDZILIKBV-VXGBXAGGSA-N 388.380 1.332 5 40 GDBB COc1ccc(S(=O)(=O)NCCc2cn3ccccc3n2)c([N+](=O)[O-])c1 24471862 SUYIZTUFZYSHCI-UHFFFAOYSA-N 376.394 1.772 5 40 GDBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)N1CCOCC1 210852903 IANBIPLGLRQEGV-UKTHLTGXSA-N 377.378 1.490 5 40 GDBB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 40448002 WTUDJMJAHNANBL-UHFFFAOYSA-N 396.377 1.956 5 40 GDBB COCCNC(=O)CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 22467231 UJHBBFGNBHYJGM-ZDUSSCGKSA-N 378.429 1.324 5 40 GDBB CCN(C(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 14236697 MIZDJIHACYHQPQ-FZMZJTMJSA-N 384.410 1.176 5 40 GDBB Cc1cc(=O)[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)n1 96191259 OPVOATDSRKAOIS-GFCCVEGCSA-N 378.410 1.555 5 40 GDBB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc([N+](=O)[O-])c1 3234718 AQLQFUGOFXWLNW-UHFFFAOYSA-N 387.348 1.329 5 40 GDBB CCOC(=O)[C@@H](C(C)=O)[C@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 5326264 YWBXMFOWWKWTGV-OWCLPIDISA-N 395.433 1.886 5 40 GDBB C[C@H](OC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1 12734271 ARQAUQFRSNZNJU-NEPJUHHUSA-N 377.397 1.704 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1 2638472 JRAODKDRMWIPRJ-UHFFFAOYSA-N 388.336 1.890 5 40 GDBB 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CCCS(=O)(=O)c1nnc(NC(=O)COc2ccccc2[N+](=O)[O-])s1 9435374 PNGPGHXGOYRERK-UHFFFAOYSA-N 386.411 1.648 5 40 GDBB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C1CC1 12684741 UUZJLQIANLYQAZ-KRWDZBQOSA-N 386.408 1.956 5 40 GDBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 409095519 CYFBFIZNKCDPIO-PKTIUJEHSA-N 382.350 1.907 5 40 GDBB CCOC(=O)C[C@@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 96008945 ZNQOKTZVPXROTO-CQSZACIVSA-N 394.833 1.539 5 40 GDBB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 44880049 YCYDFSAYVYSOJX-SNVBAGLBSA-N 390.849 1.705 5 40 GDBB CC(C)n1cnnc1-c1ccccc1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600650566 MRGRXXRGDKELHA-UHFFFAOYSA-N 391.413 1.969 5 40 GDBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1cccc2nsnc12 19078591 FDXMUSFYIKPKQT-UHFFFAOYSA-N 382.361 1.948 5 40 GDBB CS(=O)(=O)c1ccc(NC(=O)CN2CCc3ncc([N+](=O)[O-])cc3C2)cc1 95466662 KLPJUPXVLAXVLZ-UHFFFAOYSA-N 390.421 1.390 5 40 GDBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)CC)CC2)c([N+](=O)[O-])c1 408572524 JFMARLNXZQMQRX-UHFFFAOYSA-N 394.453 1.705 5 40 GDBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCOCC2)cc1 23180366 GAYRREREGVCVJH-QGZVFWFLSA-N 392.437 1.342 5 40 GDBB COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]([C@@H]1CCOC1)N1CCOCC1 24204626 PAKRQWLPEBHZDK-CXAGYDPISA-N 379.413 1.531 5 40 GDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)C(C)(C)C 101176268 OUVIDEHYZFFPPN-JWGURIENSA-N 382.420 1.836 5 40 GDBB O=C1COc2ccc(C(=O)COC(=O)COc3ccccc3[N+](=O)[O-])cc2N1 2652359 SJZDYMODPMPXDF-UHFFFAOYSA-N 386.316 1.731 5 40 GDBB COc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c([N+](=O)[O-])cc1OC 3384808 MKBAXKMIBWFMRZ-UHFFFAOYSA-N 383.357 1.393 5 40 GDBB CN(C)S(=O)(=O)c1ccc(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nc1 16563915 CHEMFKASDZMAID-UHFFFAOYSA-N 396.450 1.631 5 40 GDBB COc1ncnc2c1N[C@H](NNC(N)=S)c1cc([N+](=O)[O-])ccc1S2 3045381 ONYIIFYNQKOREN-SNVBAGLBSA-N 379.427 1.307 5 40 GDBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NCCOC(N)=O)c([N+](=O)[O-])c2)C1 95460549 CGWLETRVSAXZSJ-NSHDSACASA-N 386.430 1.523 5 40 GDBB O=C1CNC(=O)N1Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 31719859 WSYPDCFQBLPUFI-UHFFFAOYSA-N 390.377 1.447 5 40 GDBB CC(=O)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccccc1C(=O)O 825971 BBVAMHJCZGSGBJ-UHFFFAOYSA-N 383.316 1.900 5 40 GDBB C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 3530508 QHZXXQNOIOFUBX-LLVKDONJSA-N 397.343 1.761 5 40 GDBB Cn1c(CO)cnc1SCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 72307074 PXTSRUGQHSPNHE-UHFFFAOYSA-N 391.453 1.262 5 40 GDBB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 4579916 WQYOJWXWUMISOV-UHFFFAOYSA-N 385.442 1.627 5 40 GDBB Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1[C@]1(O)C(=O)Nc2ccc(F)cc21 6934805 HYMJPDKIPWETGB-SFHVURJKSA-N 383.339 1.998 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N2CCNC(=O)[C@@H]2C(C)C)c([N+](=O)[O-])c1 89969052 CGAFABHLGRSAHT-INIZCTEOSA-N 398.485 1.586 5 40 GDBB O=C(C1=NO[C@@H]2C(=O)N(c3ccc(O)cc3)C(=O)[C@@H]12)c1ccc([N+](=O)[O-])cc1 100354705 LOPJGVIXBBDFKC-BBRMVZONSA-N 381.300 1.428 5 40 GDBB C[C@H]1CN(S(=O)(=O)CCNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 58162680 LXBHLTHSRYALQC-STQMWFEESA-N 394.453 1.994 5 40 GDBB C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 12782290 LANXFLOMCNFRBZ-GFCCVEGCSA-N 385.376 1.973 5 40 GDBB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cn(C)nc2[N+](=O)[O-])cc1 84771013 YPYWQALNXNTLCH-UHFFFAOYSA-N 381.414 1.611 5 40 GDBB Cc1nnc2sc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nn2c1=O 16975645 QTVPQTCWFBLSQP-UHFFFAOYSA-N 378.395 1.493 5 40 GDBB CSc1ccc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 4387575 BMFHRHWZISVUHZ-SECBINFHSA-N 376.481 1.712 5 40 GDBB CCNC(=O)CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C 5807741 XUNVBHHUSDAFAN-AWEZNQCLSA-N 394.428 1.283 5 40 GDBB Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc(S(C)(=O)=O)ccc21 17149559 PLUGGWGTJYSTKE-PFONDFGASA-N 381.391 1.886 5 40 GDBB C[C@H]1CN(S(=O)(=O)CCNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)O1 58162679 LXBHLTHSRYALQC-BETUJISGSA-N 394.453 1.994 5 40 GDBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N1CCOCC1 12527749 QHSDJRHJJHLGBX-UHFFFAOYSA-N 380.445 1.494 5 40 GDBB CCOC(=O)N1CCN(C(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 5228019 OOPHQOKAUZQJHA-UHFFFAOYSA-N 379.369 1.361 5 40 GDBB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 223280501 UFYJHPYVEMIOKA-UHFFFAOYSA-N 379.394 1.829 5 40 GDBB Cc1ccc2nc3c(cc(C(=O)NC[C@@H]4CCCO4)c(=N)n3C(C)C)c(=O)n2c1 100630646 IGEGQMRYOQZWLH-AWEZNQCLSA-N 395.463 1.927 5 40 GDBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCc1ccco1 4839462 PDVAYNCVHBGZIO-UHFFFAOYSA-N 389.364 1.498 5 40 GDBB CCCCn1c(=O)[nH]c2nc3cc(NC(=O)C(F)(F)F)ccc3nc2c1=O 9166421 QUKHBDDZOVEIIV-UHFFFAOYSA-N 381.314 1.934 5 40 GDBB Nn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1cccnc1 9812767 GZXUGAUIHYNBAW-UHFFFAOYSA-N 389.372 1.832 5 40 GDBB O=C(CN(C[C@@H]1CCCO1)C(=O)COc1cccc([N+](=O)[O-])c1)N1CCCC1 89780685 WBZOSBKJRLXVSU-KRWDZBQOSA-N 391.424 1.604 5 40 GDBB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 13015074 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Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 408620477 JHIJELHVKIZBMT-HBRAGZAPSA-N 381.388 1.895 5 40 GDBB O=C(CNC(=O)C(=O)Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 33782721 QDRFASVJQRSYKK-UHFFFAOYSA-N 376.756 1.942 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccnc1)S(C)(=O)=O 10360881 RPJIVNKDIOXYMG-UHFFFAOYSA-N 378.410 1.381 5 40 GDBB Cc1c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cccc1C(=O)O 4695769 NLARURLQXRPOBO-UHFFFAOYSA-N 383.316 1.836 5 40 GDBB C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(CCC(N)=O)n(C)c1=S 40091179 NCRMZYAREYWGQW-JTQLQIEISA-N 376.442 1.686 5 40 GDBB COC(=O)c1ccc(CNC(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])cc1 3224801 WMXPHPDDTXPUKZ-UHFFFAOYSA-N 386.360 1.784 5 40 GDBB O=C1NC[C@@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O 79046688 OTSWUDFIUBNUOR-SSDOTTSWSA-N 392.721 1.414 5 40 GDBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 95410460 ZRHQXVXOMQUIHP-LLVKDONJSA-N 393.425 1.294 5 40 GDBB O=[N+]([O-])c1nn(CCCNS(=O)(=O)c2cnn(C(F)F)c2)cc1Cl 36614915 BREARFYFQJZKIE-UHFFFAOYSA-N 384.752 1.405 5 40 GDBB O=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccc([N+](=O)[O-])cc1 6251559 JEHUXEZMHLDXKZ-UHFFFAOYSA-N 377.378 1.246 5 40 GDBB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1nn(C)cc1[N+](=O)[O-])CCCC3 2778875 JCELCWYHLPSRGR-UHFFFAOYSA-N 388.409 1.671 5 40 GDBB Cc1cccc(C(=O)N2CCN(CCNC(=O)c3ccco3)CC2)c1[N+](=O)[O-] 26867656 XJJFIPXFBGOLKQ-UHFFFAOYSA-N 386.408 1.684 5 40 GDBB CN(CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1ccc(Br)cn1 78993088 WVGVEVHZDRFXHV-UHFFFAOYSA-N 383.206 1.519 5 40 GDBB CN(Cc1cccc(Cl)c1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 40050081 CKHLVNVWKUEENZ-UHFFFAOYSA-N 378.772 1.167 5 40 GDBB O=C(CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)Nc1ccccn1 40154457 BXIJIFJQOIOLST-UHFFFAOYSA-N 380.364 1.934 5 40 GDBB CNS(=O)(=O)c1ccc(NC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 5693820 SDYFXNHKBZVRDS-LLVKDONJSA-N 379.394 1.755 5 40 GDBB COc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc([N+](=O)[O-])cc2)CN=3)cc1 4819607 KEEXQTFVWYGYOZ-YVLHZVERSA-N 396.428 1.710 5 40 GDBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCN1C(=O)CSC1=O 16695563 GXJHFTIFUPPRKW-NSHDSACASA-N 380.426 1.399 5 40 GDBB COc1ccccc1N1C(=O)[C@H]2NN=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O 103505105 VSHNODVPPDVIIX-HOCLYGCPSA-N 394.343 1.304 5 40 GDBB O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCC(=O)N1CCCCC1 6098068 FGTLJRSYJJMVFJ-UHFFFAOYSA-N 383.788 1.534 5 40 GDBB CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 142938015 ZFQAWPINDCJWOD-UHFFFAOYSA-N 394.365 1.908 5 40 GDBB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 5920480 XYOTUDBGVBTGAX-MNOVXSKESA-N 380.401 1.951 5 40 GDBB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 15975103 ZSLLUSXLNCPFEP-JJXSEGSLSA-N 396.403 1.924 5 40 GDBB COc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CCN1CCCC1 1676957 OGQZUNHWLFBGNL-UHFFFAOYSA-N 375.816 1.342 5 40 GDBB CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C 1882402 DRNJCCBZPNJXLB-UHFFFAOYSA-N 389.393 1.326 5 40 GDBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@@H]3CCCNC3=O)c([N+](=O)[O-])c2)C1 58224130 VOKJAMAHJDUSBR-SWLSCSKDSA-N 396.469 1.706 5 40 GDBB COc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 3217281 GWHYOHAKQYBFIP-UHFFFAOYSA-N 388.332 1.805 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N[C@]1(O)C(F)(F)F 4387372 BVBNHNYFVGUWBH-OUJBWJOFSA-N 377.275 1.379 5 40 GDBB Cc1c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c2cc(=O)n1CCc1c[nH]cn1 30822920 NDNOGYYALXRGJY-UHFFFAOYSA-N 380.364 1.663 5 40 GDBB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1 10251200 PDBBOLRECFGLBZ-UHFFFAOYSA-N 376.332 1.874 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 79064013 JVLCJQZBIXVRBS-CHWSQXEVSA-N 384.458 1.691 5 40 GDBB O=C1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)N1 5603630 HJVCCRAGMNKSKC-IAGOWNOFSA-N 396.403 1.539 5 40 GDBB O=C(C[C@@H]1SC(N2CCOCC2)=NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl 2646546 OZXLQULQPGJYDQ-LBPRGKRZSA-N 398.828 1.907 5 40 GDBB CCOc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(N)=O 409318157 XILNHATVTJRNQW-HWKANZROSA-N 376.325 1.229 5 40 GDBB COC(=O)C(C(=O)OC)[C@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 5416022 WPMSAILIKIMHNF-CHWSQXEVSA-N 397.405 1.080 5 40 GDBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 95410459 ZRHQXVXOMQUIHP-NSHDSACASA-N 393.425 1.294 5 40 GDBB CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C=O)C[C@H]1C(=O)O 95080812 GWAMDXGHCZZCPM-AWEZNQCLSA-N 379.369 1.918 5 40 GDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 24954281 SOCQACMRVFGXQW-UHFFFAOYSA-N 397.343 1.925 5 40 GDBB O=C(COC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 13146402 JQKIQOICSOBBRN-KBPBESRZSA-N 387.348 1.028 5 40 GDBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 12527158 UXJYSYCOXLYMTD-HUUCEWRRSA-N 382.486 1.940 5 40 GDBB C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 12645739 NEFVVTZGUVMAIZ-NSHDSACASA-N 394.409 1.646 5 40 GDBB O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCc1ccccc1[N+](=O)[O-] 6596663 XSOVCJYYSHADJA-UHFFFAOYSA-N 385.376 1.113 5 40 GDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccc([N+](=O)[O-])cc1 8643554 KPYFYYZSYMQABF-UHFFFAOYSA-N 385.288 1.842 5 40 GDBB O=C(NCCNC(=O)c1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2F)no1 21454018 ZPKGRKZRDOEGAU-UHFFFAOYSA-N 399.338 1.944 5 40 GDBB O=C(COc1ccc([S@](=O)C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 8462932 CNXLKLFCAIZHDU-RUZDIDTESA-N 382.316 1.460 5 40 GDBB O=C(NC(=S)NCc1ccco1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408627165 KXKBGAKCYSMMHO-UHFFFAOYSA-N 390.421 1.829 5 40 GDBB COC(=O)CCSc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9223236 RWBKIDKORUMPQM-UHFFFAOYSA-N 390.439 1.271 5 40 GDBB CCNC(=O)NC[C@@H]1CC[C@@]2(COCCN(Cc3ccc([N+](=O)[O-])s3)C2)O1 306129381 IBPRGQRPBQJNOO-SUMWQHHRSA-N 398.485 1.725 5 40 GDBB Cc1cc(C)n2c(CCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])nnc2n1 12322559 VRFJLMOTYDOICD-UHFFFAOYSA-N 390.425 1.560 5 40 GDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccn1)S(C)(=O)=O 113936793 FMHHKOCMEGSVEP-UHFFFAOYSA-N 394.409 1.081 5 40 GDBB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 10374298 AOHBXAUFHQPGPH-UHFFFAOYSA-N 384.458 1.248 5 40 GDBB CCC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 18040567 FOXAVHDHQCICKN-UHFFFAOYSA-N 398.485 1.684 5 40 GDBB COC(=O)c1cccc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1 6935919 DNZSBLCELCRYFT-UHFFFAOYSA-N 382.332 1.730 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)OC)c([N+](=O)[O-])c1 97104027 SQYJVPVZGMQVFQ-AWEZNQCLSA-N 385.442 1.767 5 40 GDBB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 48299513 HIACPQJOLVKKAG-OAHLLOKOSA-N 393.396 1.596 5 40 GDBB O=c1nc2n(C[C@H](O)CN3CCCCC3)c3cc(Cl)ccc3nc-2c(=O)[nH]1 8615534 FUNLZKPQVPPYAW-GFCCVEGCSA-N 389.843 1.085 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@H]2C(=O)OC)c([N+](=O)[O-])c1 97104026 SQYJVPVZGMQVFQ-CQSZACIVSA-N 385.442 1.767 5 40 GDBB Cc1cc(C)c(S(=O)(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 3175952 ASOYOFUYFYVHEC-IRXDYDNUSA-N 394.449 1.893 5 40 GDBB O=C(OCc1ccccc1)C1=NN[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 101101416 CEKOSPYTGYZEGO-LSDHHAIUSA-N 394.343 1.155 5 40 GDBB COCCNc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1[N+](=O)[O-] 25924787 VIPYPNLPDBZKDI-UHFFFAOYSA-N 376.369 1.406 5 40 GDBB O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 12743065 GSYNMZHRNMQBQC-UHFFFAOYSA-N 385.428 1.719 5 40 GDBB Cc1cc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c([N+](=O)[O-])c(=O)[nH]1 13878771 JUIXYWXYMPEIGM-UHFFFAOYSA-N 381.366 1.061 5 40 GDBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])NC1CCCC1 4415724 PRSLGUGFELDCTJ-UHFFFAOYSA-N 397.453 1.817 5 40 GDBB CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1cc(OC)c2c(c1)OCO2 66091341 YHEQTHXPNVITPB-NSHDSACASA-N 383.353 1.527 5 40 GDBB O=C(O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224837933 LRRSMZHXOPDSFT-UHFFFAOYSA-N 394.361 1.646 5 40 GDBB CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N[C@@]1(O)C(F)(F)F 11859007 BVBNHNYFVGUWBH-BREBYQMCSA-N 377.275 1.379 5 40 GDBB COc1ccc(-c2nnn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1OC 13424050 OWVVQOPMTZGPAM-UHFFFAOYSA-N 384.352 1.904 5 40 GDBB N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1CCO 100869975 CDLXFUGBQASBEC-UHFFFAOYSA-N 389.415 1.051 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N[C@@]1(O)C(F)(F)F 11859004 BVBNHNYFVGUWBH-CWSCBRNRSA-N 377.275 1.379 5 40 GDBB O=[N+]([O-])c1ccc(O[C@H]2O[C@H]3COC4(CCCCC4)O[C@@H]3[C@@H](O)[C@@H]2O)cc1 6225827 ISZQEKQIBZZACU-WOYTXXSLSA-N 381.381 1.496 5 40 GDBB O=C1NC(=O)[C@H]2[C@H]1[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@H]21 6277006 CVZXNSIMGSRIKM-BDXSIMOUSA-N 389.367 1.951 5 40 GDBB COc1ccccc1Cn1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O 40398672 IBNHBAYEHWAQQN-UHFFFAOYSA-N 376.416 1.966 5 40 GDBB CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 8055334 ZYMKQNCASOTDBJ-UHFFFAOYSA-N 382.486 1.911 5 40 GDBB COc1ccc(OC)c(Nc2nc(NCCOCCO)nc(N)c2[N+](=O)[O-])c1 9211016 QUGITRRRWAYWGI-UHFFFAOYSA-N 394.388 1.149 5 40 GDBB O=C1C[C@@H](C(F)(F)F)N(C(=O)Cn2cnnc2[N+](=O)[O-])c2ccccc2N1 40151927 AXAQXQDYARFOPV-JTQLQIEISA-N 384.274 1.493 5 40 GDBB CCOC(=O)C1=C(COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@@H]1C 6053571 UOLWTDGYONQOBF-OALRPVAKSA-N 389.364 1.670 5 40 GDBB C[C@H]1C[C@@H](C)CN(c2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C1 13769836 SNGVLDSKPBHPHY-BETUJISGSA-N 379.465 1.193 5 40 GDBB O=C(NC[C@H]1CCCO1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O 199411413 ZTYPEHIJOGLZPE-WBVHZDCISA-N 385.376 1.476 5 40 GDBB C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cc([N+](=O)[O-])cn1 19932918 DTIHCFXULUEVIL-CYBMUJFWSA-N 387.396 1.425 5 40 GDBB O=C(NCCCN1CCOCC1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 20625097 YEJPWFRQBBJYDO-OAHLLOKOSA-N 377.445 1.045 5 40 GDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccnc2N2CCOCC2)cc1 28042137 ODKQEMURRFTRDT-UHFFFAOYSA-N 378.410 1.305 5 40 GDBB NC(=O)c1ccsc1NC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] 3418420 TZQYXHSVVPCKKM-AATRIKPKSA-N 375.362 1.950 5 40 GDBB CCOC(=O)CNC(=O)C1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 95430414 GKZWHWUYTAETKN-UHFFFAOYSA-N 377.397 1.055 5 40 GDBB O=C(Cc1cc2ccccc2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 47090147 GLLPGMRHDJUPIY-UHFFFAOYSA-N 393.403 1.723 5 40 GDBB Cc1nc(CN2CCN(C(=O)CCn3cc([N+](=O)[O-])nc3C)CC2)cs1 62580645 LXRAACXKIKRYBX-UHFFFAOYSA-N 378.458 1.599 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 57808379 XVZCMRFCZMFRSJ-UHFFFAOYSA-N 388.405 1.923 5 40 GDBB COc1cc(C(=O)OCn2nnc3ccccc3c2=O)c([N+](=O)[O-])cc1OC 3450037 ASNYIGUURZEFDQ-UHFFFAOYSA-N 386.320 1.531 5 40 GDBB NS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@H](O)COc2ccc(F)cc2)s1 78809055 SEHXMBCFFFUBNU-VIFPVBQESA-N 391.402 1.295 5 40 GDBB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 6783881 ULCFLMRJJZSUDF-OAFZBRQQSA-N 393.392 1.761 5 40 GDBB NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCN(C(=O)c2ccccc2F)CC1 48303385 CNCWUPNSDZIQBJ-UHFFFAOYSA-N 387.371 1.945 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 408620478 JHIJELHVKIZBMT-MCKLEBTQSA-N 381.388 1.895 5 40 GDBB CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4505355 QBHVLDMPULQSAH-VIFPVBQESA-N 382.847 1.446 5 40 GDBB CCn1nnc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 32126983 KALPQNUHVDQVHD-UHFFFAOYSA-N 387.381 1.988 5 40 GDBB COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225025635 XTVKLPWDQYXLFP-UHFFFAOYSA-N 380.378 1.972 5 40 GDBB CCNC(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3ccc([N+](=O)[O-])s3)C2)O1 306129378 IBPRGQRPBQJNOO-CXAGYDPISA-N 398.485 1.725 5 40 GDBB CCOC(=O)Cn1nc(C)c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1C 1426695 YYVYSMYJWMTVPW-UHFFFAOYSA-N 378.389 1.423 5 40 GDBB O=c1nc2ccc(Cl)cn2c2ccc(S(=O)(=O)N3CCOCC3)cc12 4753515 HXMGQYWCHVJHDR-UHFFFAOYSA-N 379.825 1.522 5 40 GDBB Cn1nc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)c2ccccc21 1547212414 OMAYVLKBSWCNHC-OLZOCXBDSA-N 393.403 1.903 5 40 GDBB biogenic O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 6494383 TXVLOQFXTCSVJV-UHFFFAOYSA-N 391.405 1.868 5 40 GDBB O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 604404249 MEOSWBBUBMCEOH-WCQYABFASA-N 383.360 1.745 5 40 GDBB biogenic CS(=O)(=O)c1ccc(NC[C@H]([C@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 40153818 MJEGPQXBHAUHQF-SUMWQHHRSA-N 383.470 1.911 5 40 GDBB Cc1ccc2nc3c(cc(C(N)=S)c(=N)n3CCCOC(C)C)c(=O)n2c1 101109985 WGICCZGJTWGSLT-UHFFFAOYSA-N 385.493 1.886 5 40 GDBB O=C(COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 102400263 JQKIQOICSOBBRN-OKILXGFUSA-N 387.348 1.028 5 40 GDBB CS(=O)(=O)Cc1cccc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 95444818 DOHOVMBPRKEQQF-UHFFFAOYSA-N 396.446 1.891 5 40 GDBB Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1-n1cncn1 89575522 JYDUJULYCXRHSL-UHFFFAOYSA-N 376.354 1.385 5 40 GDBB Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1[N+](=O)[O-] 47330992 SUGWCPXAEICOHR-UHFFFAOYSA-N 383.405 1.287 5 40 GDBB CCOc1ccc(NC(=O)COC(=O)CN(C)c2ncccn2)c([N+](=O)[O-])c1 40087934 JXCXZCSYIPMIOB-UHFFFAOYSA-N 389.368 1.402 5 40 GDBB CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1cccnc1[N+](=O)[O-])n2CC 18533219 UGRRSZTZFLRULA-UHFFFAOYSA-N 388.384 1.589 5 40 GDBB CN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(O)=NC1=S 4623729 LUILEKXJTXCSRN-WBMJQRKESA-N 376.394 1.056 5 40 GDBB O=C(Nc1cccc(C(=O)Nn2cnnc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 14405827 CZPIFVIJVUDMCE-UHFFFAOYSA-N 397.307 1.731 5 40 GDBB COCCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 4565446 GLZAFMFTUOYHGQ-UHFFFAOYSA-N 379.394 1.772 5 40 GDBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C1=COCCO1 12378196 YGUXSVJNEFCGFE-UHFFFAOYSA-N 397.390 1.711 5 40 GDBB O=C(CN1C(=O)N/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1 12376711 FHGQHWFKHPMKAO-JYRVWZFOSA-N 382.332 1.832 5 40 GDBB CNC(=O)[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 24969417 KSTDBZQTYLUMRB-KRWDZBQOSA-N 384.392 1.571 5 40 GDBB Cc1nonc1OCCN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 57381210 XWAGJAJFBKILRR-UHFFFAOYSA-N 378.345 1.395 5 40 GDBB C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]2[C@@H](C)O1 13577145 JOVMOAWNADVGIA-HFAKWTLXSA-N 390.392 1.956 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N(C)CC(=O)N2CCCC2)c([N+](=O)[O-])c1 16738239 LTOQOGPZYDROBN-UHFFFAOYSA-N 398.485 1.684 5 40 GDBB CNC(=O)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12542689 XZCHXQAMXNRWDN-UHFFFAOYSA-N 388.346 1.692 5 40 GDBB CNS(=O)(=O)c1ccc(N(C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 8051943 NIXLQDAJUBENHV-LBPRGKRZSA-N 393.421 1.779 5 40 GDBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1[C@]1(O)C(=O)Nc2ccc(F)cc21 6938080 UKABHBLHYHJSHO-SFHVURJKSA-N 383.339 1.998 5 40 GDBB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 12776421 WLQFISPYPOHSQN-BLDNINTCSA-N 394.380 1.930 5 40 GDBB biogenic O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ncc([N+](=O)[O-])s1 10188052 LAYKHCLESCQMPQ-UHFFFAOYSA-N 382.379 1.225 5 40 GDBB C[C@H]1CCCCN1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4889829 SWBMQIVVWFJGFN-AWEZNQCLSA-N 391.424 1.989 5 40 GDBB O=C(CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)OCc1ccccc1 25398541 VAMZSMWQBNCJDQ-UHFFFAOYSA-N 399.403 1.905 5 40 GDBB CN1CCCN(c2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cn2)CC1 58101495 CXAUHCAZVHVWBX-UHFFFAOYSA-N 383.452 1.991 5 40 GDBB O=C(c1cnc2n(c1=O)CCS2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4059785 DFOXOYMLWKTYCG-UHFFFAOYSA-N 387.421 1.220 5 40 GDBB O=C1CN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2N1 58160486 ITVCXYOIRDAOTB-UHFFFAOYSA-N 395.419 1.702 5 40 GDBB O=C(NCCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])o1 16849362 VYWJRDZCDHNMFQ-UHFFFAOYSA-N 393.421 1.696 5 40 GDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCNC(=O)c2cccn2C)c1C 32760521 AHFKNHAZUXVPMQ-UHFFFAOYSA-N 380.426 1.258 5 40 GDBB CCn1cc(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)c(C(=O)NC2CCCC2)n1 2731130 FGFODRZQQMWTLT-UHFFFAOYSA-N 389.416 1.627 5 40 GDBB CNc1nnc(SCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 10982062 NAIFEQDMKTUQDH-UHFFFAOYSA-N 394.482 1.929 5 40 GDBB Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2ccc([N+](=O)[O-])cc2)n(C)c1=O 6413711 IKVLVKGEJWFTQD-UHFFFAOYSA-N 398.423 1.381 5 40 GDBB CC(=O)NCc1ccc(C(=O)COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)s1 24729829 NUUNEHDNGUOSDI-UHFFFAOYSA-N 394.409 1.532 5 40 GDBB C[C@@H]1CCCCN1C(=O)CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 12528030 ZWQGBALCCRWERI-CQSZACIVSA-N 389.456 1.217 5 40 GDBB CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] 78648610 XQFVRCCSZOCGJW-CQSZACIVSA-N 398.485 1.717 5 40 GDBB NC(=O)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c([N+](=O)[O-])c1 21835610 WTLQCTDRNPYOCW-UHFFFAOYSA-N 380.408 1.664 5 40 GDBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)CCC1=O)c1ccccc1 408685199 OYVXDMGFYSQFLP-UHFFFAOYSA-N 381.344 1.984 5 40 GDBB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc([N+](=O)[O-])c2)cc1 224898760 MYDUUOZJZDIPRS-UHFFFAOYSA-N 393.377 1.833 5 40 GDBB COC(=O)[C@H](CCSC)NC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 8303716 UGYLTCFHKRCLOM-UFFNRZRYSA-N 382.394 1.748 5 40 GDBB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 17052279 YELBDWJYLIHVNN-UHFFFAOYSA-N 388.409 1.666 5 40 GDBB O=C1[C@H]2C(c3cccc([N+](=O)[O-])c3)=NO[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 103560836 VWWLKROYCVMWQW-DZGCQCFKSA-N 382.288 1.796 5 40 GDBB O=C(CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21)Nc1ccccc1[N+](=O)[O-] 100033274 IYSOSMSCXDZUFN-HZPDHXFCSA-N 394.347 1.527 5 40 GDBB CS(=O)(=O)Nc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 25240299 SPKROGMUFIIWQK-UHFFFAOYSA-N 389.393 1.773 5 40 GDBB O=C(Nc1ccccc1)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 3293725 HSLPEIABCKIJIC-GDBMZVCRSA-N 391.405 1.357 5 40 GDBB CS(=O)(=O)c1ccc(N[C@@H]2CCCc3c2cnn3CCO)c([N+](=O)[O-])c1 40115525 SRYQOJZYFGHLHH-CYBMUJFWSA-N 380.426 1.677 5 40 GDBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccccc4)c4nnnn4c3nc12 16742636 NJRXVFAJHBPFOH-UHFFFAOYSA-N 392.400 1.427 5 40 GDBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1[N+](=O)[O-] 89652165 YOBOWAYYRCJBRF-UHFFFAOYSA-N 390.421 1.445 5 40 GDBB O=C(OCc1ccccc1)C1=NN[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 101101420 CEKOSPYTGYZEGO-HUUCEWRRSA-N 394.343 1.155 5 40 GDBB CCN(CC(=O)NCc1cccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 57362833 JVIGCAWWOQNMTP-UHFFFAOYSA-N 376.438 1.894 5 40 GDBB Cc1cccc(OCCNC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1 21589467 VEVPAKBVOQYWIP-UHFFFAOYSA-N 382.376 1.808 5 40 GDBB CCOC(=O)[C@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 12905361 LDGKRGVFOOGREJ-AWEZNQCLSA-N 377.397 1.516 5 40 GDBB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 6262543 ZSLLUSXLNCPFEP-LVQVYYBASA-N 396.403 1.924 5 40 GDBB O=[N+]([O-])c1ccc(N2N=N[C@H](CN3CCOCC3)[C@@H]2N2CCOCC2)cc1 31771884 VBJOJOJOHCKBLS-IAGOWNOFSA-N 376.417 1.141 5 40 GDBB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3259869 XHVHJRSKCFYKKX-UHFFFAOYSA-N 394.365 1.123 5 40 GDBB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccco1 8433732 PVDFITJRIOAOBA-UHFFFAOYSA-N 375.337 1.766 5 40 GDBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 8653214 POHYPWCIOBZDHW-ZDUSSCGKSA-N 398.287 1.200 5 40 GDBB COc1ccc(OC)c2c1CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]2O 30588763 RYJLKLWQJPSMAH-OAHLLOKOSA-N 387.392 1.760 5 40 GDBB COc1ccc(CN(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 10387000 HKGOUKVRHFQEJU-UHFFFAOYSA-N 383.360 1.858 5 40 GDBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(N)=O)n1C 409127144 GZZGUHKIHGJSPW-CYBMUJFWSA-N 392.441 1.428 5 40 GDBB O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 15590186 GVIQFXNIPFLXKB-UHFFFAOYSA-N 393.407 1.597 5 40 GDBB O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCc1ccc([N+](=O)[O-])cc1 1844937 GCARTMSCQOLMNI-UHFFFAOYSA-N 385.376 1.113 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])NC(=S)N[C@@]1(O)C(F)(F)F 106213775 GZQVHVYVHVDXPI-KWBADKCTSA-N 393.343 1.544 5 40 GDBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 4749189 YZFDQLVIOBLBOS-UHFFFAOYSA-N 391.405 1.868 5 40 GDBB COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225027658 BJTKOKDVRMNUEL-UHFFFAOYSA-N 394.361 1.692 5 40 GDBB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 40488449 BFAZOQCDOHPRFK-UGUYLWEFSA-N 375.381 1.122 5 40 GDBB Cn1nc(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2ccccc2c1=O 8175699 XNLFGBMHYCTVFO-UHFFFAOYSA-N 381.392 1.613 5 40 GDBB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2C=CC=NN21 18120165 MXRXMPOFPWKSLI-YHUYYLMFSA-N 396.403 1.924 5 40 GDBB O=C(Cn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1)NC[C@H]1CCCO1 36620976 KSRWICVFOWDBPL-MRXNPFEDSA-N 396.407 1.939 5 40 GDBB Cc1nn(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(C)c1[N+](=O)[O-] 16003132 DISNGKJRDKMVBO-UHFFFAOYSA-N 385.302 1.580 5 40 GDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCN1CCOCC1 25499610 LUGDFHVDFSNCCL-UHFFFAOYSA-N 398.485 1.514 5 40 GDBB COc1cc(CCNS(=O)(=O)N2CCCCCC2)c([N+](=O)[O-])cc1OC 12897256 GWTLWEHJEKBLPD-UHFFFAOYSA-N 387.458 1.865 5 40 GDBB Nc1nccnc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9114230 JWHKZDDYHGCFCJ-UHFFFAOYSA-N 385.258 1.781 5 40 GDBB O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cn1cc(Cl)c([N+](=O)[O-])n1 36614464 CKEGZZOUMJORRJ-UHFFFAOYSA-N 389.734 1.985 5 40 GDBB COc1ccc(S(=O)(=O)N(C)[C@H](C(N)=O)c2cccc(F)c2)cc1[N+](=O)[O-] 58244338 GKHTUBPKSBWHTD-HNNXBMFYSA-N 397.384 1.590 5 40 GDBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)N2CCCCC2)CC1 12924769 VNCFHCXQHADNJC-UHFFFAOYSA-N 376.413 1.724 5 40 GDBB CC(C)[C@H](C(=O)NC[C@H]1CCCO1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8471791 BDTIOJMCSKSRGU-IAQYHMDHSA-N 375.381 1.511 5 40 GDBB CCN1CCN(CCNC(=O)c2ccc3nc4ccccc4c(=O)n3c2)CC1 57477758 LSBRGEJYEPAMGX-UHFFFAOYSA-N 379.464 1.215 5 40 GDBB COc1ccccc1NC(=S)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 3340061 USCLFSFDAOHFSM-GDBMZVCRSA-N 377.422 1.984 5 40 GDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1cccnc1 6392303 KETKCOYWJXOAFM-UHFFFAOYSA-N 378.410 1.623 5 40 GDBB O=C(Cn1nc([N+](=O)[O-])nc1Br)c1cc2ccccc2oc1=O 4727757 KNWGJQCLSMZBBT-UHFFFAOYSA-N 379.126 1.938 5 40 GDBB CS(=O)(=O)c1ccc(N[C@H]2CCCc3c2cnn3CCO)c([N+](=O)[O-])c1 40115527 SRYQOJZYFGHLHH-ZDUSSCGKSA-N 380.426 1.677 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10359665 SCXWTSWYYDCMNW-UHFFFAOYSA-N 386.430 1.060 5 40 GDBB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)C1 250665634 ICKOVDBYNHSSOD-CJNGLKHVSA-N 389.408 1.810 5 40 GDBB COc1cc(CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)on1 1547138164 CCPYSXDZILIKBV-NEPJUHHUSA-N 388.380 1.332 5 40 GDBB biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(S(N)(=O)=O)cc1 3285199 HEKPJHZSXODQFP-JTQLQIEISA-N 394.409 1.690 5 40 GDBB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9668730 STKLUQHLISBSJS-UHFFFAOYSA-N 383.364 1.853 5 40 GDBB COC(=O)c1cc(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)cc([N+](=O)[O-])c1 31996777 JQBJSCMFBMLMQN-UHFFFAOYSA-N 382.336 1.918 5 40 GDBB O=C(NC(=S)Nc1cccnc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17079072 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O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC(=O)NCc1ccco1 35351463 PSMHPPRUNFZONP-UHFFFAOYSA-N 387.396 1.336 5 40 GDBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1NCCO 5279429 QTTXQVWZEBSTJW-UHFFFAOYSA-N 389.364 1.803 5 40 GDBB CCOC(=O)CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC 17378396 YCNSYBFPIAMUPL-XKOZXHHJSA-N 378.381 1.999 5 40 GDBB CC(C)[C@@H](C(=O)NC[C@H]1CCCO1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8471787 BDTIOJMCSKSRGU-ABAIWWIYSA-N 375.381 1.511 5 40 GDBB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])o1 3168689 XMTGLCZMWMPEAN-UHFFFAOYSA-N 381.366 1.461 5 40 GDBB CC(C)(C)c1ccc(OC[C@H](O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cc1 12904340 KASWNLYOHXAFPY-CQSZACIVSA-N 389.408 1.593 5 40 GDBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)c1 408651538 GSQDJSDCSMCAGP-AZVVBTRNSA-N 390.348 1.283 5 40 GDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCCN(C)C)CCCN(C)C 48308683 LGLZTMONLLYBNI-UHFFFAOYSA-N 386.518 1.797 5 40 GDBB CCOC(=O)C1=NN(C(=O)c2ccc(O)cc2)[C@@](O)(c2cccc([N+](=O)[O-])c2)C1 408718382 VSBMVFWEAKKEOL-IBGZPJMESA-N 399.359 1.911 5 40 GDBB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)C1 250674978 PCXQYXMRQBGWBN-CJNGLKHVSA-N 389.408 1.810 5 40 GDBB CC(=O)N[C@@H]1[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O[C@H]2OC(C)(C)O[C@@H]21 5082716 HENQUDGAVMXGIQ-KQTLUZQSSA-N 380.353 1.133 5 40 GDBB CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1ccc([N+](=O)[O-])cc1 11689639 VIKLTNMKDGKORS-UHFFFAOYSA-N 377.378 1.801 5 40 GDBB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccccc1[N+](=O)[O-] 10251196 ZVFNCAGYJYVVCU-UHFFFAOYSA-N 376.332 1.874 5 40 GDBB CC(C)NC(=O)[C@@H](C)OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 32554385 PXYINQZPDYXSMJ-SNVBAGLBSA-N 393.425 1.944 5 40 GDBB C[C@@]1(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCS(=O)(=O)C1 5200865 UXFCVWHFRFPRKP-QGZVFWFLSA-N 381.454 1.892 5 40 GDBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134271 VCYUFASBBBWJEH-UHFFFAOYSA-N 383.368 1.122 5 40 GDBB CC1(C)O[C@@H]2O[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4293466 CCRYLXMJSTVYDO-VQUITAKWSA-N 398.368 1.314 5 40 GDBB N=C(NC1=N[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1)Nc1ccccc1 20635254 QEFZCEZCZGTURK-ZDUSSCGKSA-N 395.379 1.414 5 40 GDBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3nc(C4CC4)no3)CC2)cc1 12918210 WDEBRCFRRBLJDS-UHFFFAOYSA-N 393.425 1.362 5 40 GDBB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCCn1ccc([N+](=O)[O-])n1 36615207 UQNVJQKMSOKDSF-UHFFFAOYSA-N 378.361 1.368 5 40 GDBB CCc1nn2c(=O)cc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)nc2s1 25398582 CHYJWNDUTAXKFK-UHFFFAOYSA-N 385.361 1.418 5 40 GDBB COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F 95942230 GWICSTAJPGYPEQ-ZDUSSCGKSA-N 384.364 1.559 5 40 GDBB COCCN(CC(=O)N(C)C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 32916433 AZASWXMAOWTQKB-UHFFFAOYSA-N 393.849 1.282 5 40 GDBB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1 40115848 RXCIDBQYNNOVJC-HOTGVXAUSA-N 395.481 1.482 5 40 GDBB CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2C=CC=NN21 103562588 MXRXMPOFPWKSLI-KLHDSHLOSA-N 396.403 1.924 5 40 GDBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O 5489687 LZCCGUGTBKWCFP-HNNXBMFYSA-N 386.408 1.937 5 40 GDBB O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](O)[C@H]2O)cc1 44170470 BGBDVEKOBCWPHZ-HMSXXHTOSA-N 389.360 1.535 5 40 GDBB in-vitro COc1cc(OC)c(OC)cc1/C=C/c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C 15107471 IUVVJUQVHWLPPV-VOTSOKGWSA-N 377.353 1.188 5 40 GDBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)N2CCOCC2)cc1 23180369 GAYRREREGVCVJH-KRWDZBQOSA-N 392.437 1.342 5 40 GDBB CCc1cc(NCCNc2ccccc2[N+](=O)[O-])n2nc(C(=O)OC)nc2n1 58014425 RRHMLGALMUIUIB-UHFFFAOYSA-N 385.384 1.906 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])NC(=O)NC1 18322105 SJQFPBOSRFAJGP-UHFFFAOYSA-N 383.744 1.535 5 40 GDBB O=C(O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224754607 SNNNJMUHFYMYQK-UHFFFAOYSA-N 381.322 1.783 5 40 GDBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2S1(=O)=O 4940725 BJDLYXQCWOWDNU-JTQLQIEISA-N 375.362 1.767 5 40 GDBB O=C1COc2ccc(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2N1 16657130 SFCIXVYAXOTPNU-UHFFFAOYSA-N 381.300 1.405 5 40 GDBB O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCN1CCOCC1 32780783 DRZJCMDDFWBPLH-UHFFFAOYSA-N 390.362 1.864 5 40 GDBB Cc1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1[N+](=O)[O-] 12541177 LQUUDELEFLIUTR-UHFFFAOYSA-N 393.377 1.346 5 40 GDBB O=C(COc1cccnc1[N+](=O)[O-])NCC(=O)Nc1ccc(F)c(F)c1F 5971636 CCOLOZWXUPAWPP-UHFFFAOYSA-N 384.270 1.541 5 40 GDBB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1[N+](=O)[O-] 14208785 QQXJNJUGWPSLAC-AWEZNQCLSA-N 397.453 1.163 5 40 GDBB O=C(COc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 921346 GMOVOIVLKHAFHH-UHFFFAOYSA-N 398.315 1.126 5 40 GDBB O=C(NCCNC(=O)c1nc(C2CC2)no1)c1ccc(Cl)c([N+](=O)[O-])c1 21453696 UXKKKLMNBJISPN-UHFFFAOYSA-N 379.760 1.668 5 40 GDBB O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])c1 409317544 VGSAUWQVURUTCC-HNQUOIGGSA-N 389.324 1.711 5 40 GDBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CCCn2ccnc2)CC1 95462338 ZAJMYBKSCOKLCH-UHFFFAOYSA-N 379.442 1.188 5 40 GDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NCC(F)(F)F 20854065 POACOBYLEZSDNP-UHFFFAOYSA-N 391.302 1.267 5 40 GDBB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4ccc([N+](=O)[O-])o4)nn23)C1 1501040417 QFINQIXUBAFJTB-MRVPVSSYSA-N 398.426 1.493 5 40 GDBB O=C(c1ccc(NC[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])c1)N1CCOCC1 32829397 YTCAIUMWYQWXEB-AWEZNQCLSA-N 389.408 1.923 5 40 GDBB CC(C)CN1C(=O)CC(=O)N[C@H]1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 10426318 XMYIPUQOPXDYQZ-MRXNPFEDSA-N 380.426 1.555 5 40 GDBB Cc1nn(C)c(C)c1S(=O)(=O)NCCCn1cc(Cl)c([N+](=O)[O-])n1 36614872 UQROLFSOAXXJCI-UHFFFAOYSA-N 376.826 1.164 5 40 GDBB CC(=O)O[C@@H]1CO[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]1OC(C)=O 35645799 RSBQRDKQQIICFV-VQHPVUNQSA-N 397.336 1.125 5 40 GDBB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)C1 250668367 KBTHNUZDYJSDRQ-DOMZBBRYSA-N 375.381 1.502 5 40 GDBB CC(=O)N[C@H]1[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O[C@H]2OC(C)(C)O[C@@H]21 5082718 HENQUDGAVMXGIQ-CTASWTNQSA-N 380.353 1.133 5 40 GDBB COc1cc(C(=O)NCc2n[nH]c(=O)c3ccccc23)c([N+](=O)[O-])cc1OC 5313505 MPTRVIQVWBNSIR-UHFFFAOYSA-N 384.348 1.779 5 40 GDBB CCOC(=O)C1=C(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)NC(=O)NC1 24193305 GQARSRFXFGOPJX-UHFFFAOYSA-N 382.804 1.810 5 40 GDBB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 24223963 WLOZXCKSSJVWCA-RYUDHWBXSA-N 391.380 1.835 5 40 GDBB Cc1ccc(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c([N+](=O)[O-])c1 8750499 AUYOTUZVZSDDPM-UHFFFAOYSA-N 384.352 1.753 5 40 GDBB CN(CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1Br)C1CC1 72307545 MMLMSHYYCJDDGY-UHFFFAOYSA-N 396.238 1.869 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])NC(=O)N[C@H]1C 6053197 AZNQSBZBINNAEO-QMMMGPOBSA-N 397.771 1.924 5 40 GDBB CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c([N+](=O)[O-])c1 101074720 SQSUJJVMHZJRAY-OBJOEFQTSA-N 379.438 1.739 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1 3285201 HEKPJHZSXODQFP-SNVBAGLBSA-N 394.409 1.690 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(C(=O)C2CC2)CC1 12871906 XSRVLTVCPXXJMP-LBPRGKRZSA-N 376.413 1.485 5 40 GDBB CSc1nnc(C)n1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 33606046 JDNVORMNAXRJFN-UHFFFAOYSA-N 378.414 1.437 5 40 GDBB Cc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1[N+](=O)[O-] 214297789 NLPUSNWQOBGBAZ-NTEUORMPSA-N 391.405 1.798 5 40 GDBB CC(=O)Nc1ccc(NC(=O)CS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1475804 REXGXIKJUDQBHT-UHFFFAOYSA-N 377.378 1.966 5 40 GDBB CC(C)Cn1c(N)c(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(=O)n(C)c1=O 7736158 HBFLWEQTUCRHBB-UHFFFAOYSA-N 394.359 1.094 5 40 GDBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100285933 MOEYYLKQHAXOSV-GHNUZZEDSA-N 381.388 1.975 5 40 GDBB Cc1c(NCCCO)c([N+](=O)[O-])cc([N+](=O)[O-])c1NCCCN1CCOCC1 19866070 KMSQOJYOOGPWFU-UHFFFAOYSA-N 397.432 1.740 5 40 GDBB Cc1nn(CC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-] 3446035 XOQCJAHTMVFZTI-UHFFFAOYSA-N 376.325 1.319 5 40 GDBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(c2ncccn2)CC1 4105489 QNPBYGMVXMUMBP-UHFFFAOYSA-N 383.817 1.549 5 40 GDBB COc1ccc(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)c([N+](=O)[O-])c1 9154196 SNRYXPIOYATXPJ-ZDUSSCGKSA-N 394.409 1.262 5 40 GDBB O=[N+]([O-])c1ccc(CNc2ccc(N[C@H]3CS(=O)(=O)C[C@@H]3O)cc2)cc1 575423232 ZMOFLKUXGKIMEI-IRXDYDNUSA-N 377.422 1.777 5 40 GDBB NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1[nH]c(=O)n2-c1ccccc1F 5143427 KQDHPZLOWSSPJD-UHFFFAOYSA-N 394.322 1.922 5 40 GDBB N=C(NC1=N[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1)Nc1ccccc1 9264781 MVRBXKMGSGIFPM-AWEZNQCLSA-N 395.379 1.414 5 40 GDBB CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C1=O 8995578 HRQLXSMHQYLFTO-AUUYWEPGSA-N 386.408 1.983 5 40 GDBB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 223308275 VKOXAAJNYFFBBD-UHFFFAOYSA-N 379.394 1.863 5 40 GDBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCCO)[C@H]1c1cccc([N+](=O)[O-])c1 34066229 OFTWHTCEEWIQLZ-INIZCTEOSA-N 376.365 1.538 5 40 GDBB biogenic COc1ccccc1NC(=S)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 3340060 USCLFSFDAOHFSM-GOEBONIOSA-N 377.422 1.984 5 40 GDBB COc1ccccc1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 7006828 ZHNJADMEOYKJCE-UHFFFAOYSA-N 398.327 1.626 5 40 GDBB O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 15382269 FCBPGSFXROCLHK-UHFFFAOYSA-N 394.387 1.540 5 40 GDBB O=[N+]([O-])c1ccc(OCc2nn3c(CN4CCOCC4)nnc3s2)cc1 71260510 ZESNSSCCLXLDJQ-UHFFFAOYSA-N 376.398 1.505 5 40 GDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1COc2ccccc2O1 30495335 GGWMHPRANXCNHH-GFCCVEGCSA-N 380.378 1.722 5 40 GDBB CCCCn1ccc2nc3ccn(-c4nc(COC)n[nH]4)c(=O)c3cc2c1=O 40398978 BGOFNZQNPNWXLS-UHFFFAOYSA-N 380.408 1.765 5 40 GDBB CC(=O)N[C@H]1[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O[C@H]2OC(C)(C)O[C@@H]21 5082714 HENQUDGAVMXGIQ-AYDFFVQHSA-N 380.353 1.133 5 40 GDBB Cc1ccc(S(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] 56059047 BTDPBJQZGGCDET-UHFFFAOYSA-N 377.426 1.641 5 40 GDBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCSC[C@@H]32)C1=O 13693090 GKEVOIQGDOQSSK-CYBMUJFWSA-N 390.421 1.110 5 40 GDBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCCOC(N)=O)c([N+](=O)[O-])c2)C1 95460548 CGWLETRVSAXZSJ-LLVKDONJSA-N 386.430 1.523 5 40 GDBB C[C@H]1CCCN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 4889944 JNSVSWBYKWJGMA-AWEZNQCLSA-N 391.424 1.847 5 40 GDBB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 100534657 TWJKYCDAQQTRKJ-MWDDYTRKSA-N 386.360 1.352 5 40 GDBB O=[N+]([O-])c1ccc(NC[C@H](O)COCC2CC2)c(S(=O)(=O)N2CCCC2)c1 58155093 DREFTMOZSGAVJD-HNNXBMFYSA-N 399.469 1.579 5 40 GDBB O=[N+]([O-])c1c(NCCCN2CCN(c3ncccn3)CC2)nc2ccccn12 23888332 YALMRLONADRPDY-UHFFFAOYSA-N 382.428 1.657 5 40 GDBB COC(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccc(S(N)(=O)=O)cc1 12734622 CIMOUVYGKJOETO-UHFFFAOYSA-N 379.394 1.683 5 40 GDBB Cc1nn(C(=O)c2ccccc2[N+](=O)[O-])c(C)c1S(=O)(=O)N1CCOCC1 11025675 IVXXWNQYSYCKRD-UHFFFAOYSA-N 394.409 1.118 5 40 GDBB O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)c1 194348895 CNSQESOJSRWYOT-UHFFFAOYSA-N 391.449 1.906 5 40 GDBB NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 365629073 RVPKRWUJPNWLSB-LBPRGKRZSA-N 385.445 1.574 5 40 GDBB CCOC(=O)[C@@H](C(C)=O)[C@@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 5326273 YWBXMFOWWKWTGV-PMPSAXMXSA-N 395.433 1.886 5 40 GDBB CS(=O)(=O)c1ccc(Sc2nnnn2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 15142531 RNWYFCYGDAFEGN-VIFPVBQESA-N 385.427 1.315 5 40 GDBB COCCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCS(=O)(=O)C1 49649849 DKWIUADAFXSKFU-LBPRGKRZSA-N 381.410 1.352 5 40 GDBB O=C(COc1ccccc1[N+](=O)[O-])N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 17526937 XWUCKWVMZBIDIH-CQSZACIVSA-N 382.438 1.932 5 40 GDBB Cn1nnc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 57316568 IMMRUDMNARFLTD-UHFFFAOYSA-N 390.429 1.235 5 40 GDBB O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]12 8997277 DBMWSCRZFDQJCQ-RDTXWAMCSA-N 386.433 1.512 5 40 GDBB C[C@]1(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)NC(=O)NC1=O 32824330 OIDLONLXNAQIMM-GOSISDBHSA-N 384.348 1.667 5 40 GDBB O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 103610267 WOCJGMGYXGLURX-HOCLYGCPSA-N 381.300 1.616 5 40 GDBB CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2C=CC=NN12 6262538 MXRXMPOFPWKSLI-WCVJEAGWSA-N 396.403 1.924 5 40 GDBB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 247304789 GHKRJVPOBCTFMV-PVFTVIPPSA-N 375.768 1.994 5 40 GDBB CCN1CCN([C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1 89977316 KPGSVJLSWOVOIY-KRWDZBQOSA-N 376.457 1.673 5 40 GDBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cnn(CCF)c1 600313640 NQXBRUCQUKQFLA-NSHDSACASA-N 399.404 1.844 5 40 GDBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 12527160 UXJYSYCOXLYMTD-GASCZTMLSA-N 382.486 1.940 5 40 GDBB Cc1n[nH]c(-n2ccc3nc4ccn(CCCN(C)C)c(=O)c4cc3c2=O)n1 40372876 ZAXSAODYOSVIDK-UHFFFAOYSA-N 379.424 1.079 5 40 GDBB COc1cc(Cn2nnn(-c3ccccc3)c2=O)c([N+](=O)[O-])cc1OC(F)F 8778229 NOLLJUYPJDFQJH-UHFFFAOYSA-N 393.306 1.996 5 40 GDBB O=[N+]([O-])c1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1SCCO 409339075 RNPFNLRHWPRTFU-DUXPYHPUSA-N 380.338 1.959 5 40 GDBB CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])CC2 559027972 SKKPJZXAKMVWMD-GFCCVEGCSA-N 376.442 1.901 5 40 GDBB O=C(O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225033132 WSWVFPBKRZMJBN-UHFFFAOYSA-N 381.322 1.783 5 40 GDBB Cn1c(=O)c2ccccc2n2c(COC(=O)c3cc([N+](=O)[O-])ccc3N)nnc12 16814365 DQHPBCBTAYDWFF-UHFFFAOYSA-N 394.347 1.429 5 40 GDBB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 13509622 ULCFLMRJJZSUDF-JEWRLFTDSA-N 393.392 1.761 5 40 GDBB COCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 17321721 HHHHLYTYGMQGLQ-UHFFFAOYSA-N 379.394 1.772 5 40 GDBB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 71980190 PHHXOAAVKCNTEQ-CQSZACIVSA-N 397.815 1.986 5 40 GDBB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 223306658 PIUUHMMJLYRBRA-UHFFFAOYSA-N 379.394 1.863 5 40 GDBB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccc2c(c1)OCO2 19324310 QBRXQMNVTRONHQ-UHFFFAOYSA-N 376.369 1.116 5 40 GDBB COC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]([C@H]1CCOC1)N1CCOCC1 24204637 PAKRQWLPEBHZDK-SUMWQHHRSA-N 379.413 1.531 5 40 GDBB Cc1nn(CC(=O)N2CCN(C)c3nc4ccccc4nc32)c(C)c1[N+](=O)[O-] 23077874 QJAMJIUQEWEYJC-UHFFFAOYSA-N 381.396 1.834 5 40 GDBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccccc1 20131072 ZDGIHSYRHNVODX-UHFFFAOYSA-N 380.378 1.972 5 40 GDBB CNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 9119872 FVJKMYUTAXXHJT-UHFFFAOYSA-N 385.423 1.612 5 40 GDBB C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 16042869 CJYDZOQNSMKQGM-XIVQJJCGSA-N 392.371 1.540 5 40 GDBB CCOC(=O)c1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc(=O)[nH]c1C 10213765 DUJGIJBLFDTDRA-UHFFFAOYSA-N 392.393 1.894 5 40 GDBB NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1741964 FWHFUMSNBWCTJW-UHFFFAOYSA-N 380.407 1.369 5 40 GDBB Cc1nn(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1[N+](=O)[O-] 2781412 SDZJCDUKNZUDDH-UHFFFAOYSA-N 375.385 1.376 5 40 GDBB Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1C(=O)O 23144669 RQILDHMHBJXAKG-UHFFFAOYSA-N 395.393 1.806 5 40 GDBB CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2CNC(=O)c1ccc([N+](=O)[O-])o1 245238887 CCRYLXMJSTVYDO-XTYGHYOUSA-N 398.368 1.314 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 946521 XHAVSRIVCHTHDE-OUJBWJOFSA-N 393.343 1.544 5 40 GDBB NC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 33337379 RSIZGMFCJHGTLL-SXGWCWSVSA-N 396.359 1.552 5 40 GDBB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C1CC1 12684735 UUZJLQIANLYQAZ-QGZVFWFLSA-N 386.408 1.956 5 40 GDBB C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@H](O)c2ccc3c(c2)OCO3)C1=O 62580040 BOQPORSMVVDNGH-LIRRHRJNSA-N 399.359 1.824 5 40 GDBB Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] 24712386 WTNSVQVZVNLPQG-LBPRGKRZSA-N 375.834 1.798 5 40 GDBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1[C@@]1(O)C(=O)Nc2ccc(F)cc21 6938078 UKABHBLHYHJSHO-GOSISDBHSA-N 383.339 1.998 5 40 GDBB Cn1c(CN2CCOCC2)nnc1Sc1ccc([N+](=O)[O-])c2nonc12 19691712 ICEIHLFZLLLBDZ-UHFFFAOYSA-N 377.386 1.243 5 40 GDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCC[C@@H](C)C1)S(C)(=O)=O 13648091 AFINCFCGJUKSPM-GFCCVEGCSA-N 385.442 1.628 5 40 GDBB O=C(CSc1nnnn1-c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 2618390 CCEKRUQWKUAHNY-UHFFFAOYSA-N 384.377 1.619 5 40 GDBB Cc1cc(C)n(-c2nnc(C)n2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 1315761 YPMYTQNIGVCSRL-UHFFFAOYSA-N 377.386 1.230 5 40 GDBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(N2CCNC2=O)CC1 40155245 AEIOMMQDFCYZJD-UHFFFAOYSA-N 387.440 1.825 5 40 GDBB COc1cccc(C(=O)CSc2nnc(Cn3cnc([N+](=O)[O-])n3)n2C)c1 12427821 OOBLHZCAOFLBBJ-UHFFFAOYSA-N 389.397 1.347 5 40 GDBB CC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 12540098 KZJQDUDFRBRSKZ-UHFFFAOYSA-N 382.442 1.260 5 40 GDBB CN(C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 4140061 HJTIYRISQZFFQL-CQSZACIVSA-N 381.454 1.844 5 40 GDBB COC(=O)c1ccccc1N1C(=O)[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 103530524 IUEZNBBMNDWXAK-HOCLYGCPSA-N 395.327 1.674 5 40 GDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1 3040474 UKYVEAGJZRGRAS-CVEARBPZSA-N 389.320 1.349 5 40 GDBB CCCCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 10077171 VPIGOYWSNXMLAG-UHFFFAOYSA-N 384.458 1.801 5 40 GDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1C 15323952 LCFVNKLHYJSSNG-UHFFFAOYSA-N 393.421 1.951 5 40 GDBB COCCN(CCOC)S(=O)(=O)c1ccc2c(c1)c(=O)nc1ccccn12 4709997 ZDFZAMSLYWHDRO-UHFFFAOYSA-N 391.449 1.131 5 40 GDBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085747 VAEDPFZZMBPTFT-AODFDATNSA-N 381.388 1.975 5 40 GDBB CN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(O)=NC1=S 4623727 LUILEKXJTXCSRN-MLGOLLRUSA-N 376.394 1.056 5 40 GDBB COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113879903 HGCASMBIDPLGFN-UHFFFAOYSA-N 380.378 1.972 5 40 GDBB O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9086597 CLUVHAXHBDDGOJ-UHFFFAOYSA-N 398.422 1.325 5 40 GDBB N[C@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 211634151 YDYSCRZHYWLSPQ-MRXNPFEDSA-N 378.429 1.941 5 40 GDBB Cc1nnc(NC(=O)CCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)s1 138677661 GCTIDCDIFMTBTM-UHFFFAOYSA-N 378.366 1.900 5 40 GDBB COc1ccc(CCNC(=O)c2ccc(NCCO)c([N+](=O)[O-])c2)cc1OC 9217978 RLSRXRUJQKIMCB-UHFFFAOYSA-N 389.408 1.989 5 40 GDBB CCN(C(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1C 24928665 WQDUCWDRFGMPNH-UHFFFAOYSA-N 393.421 1.983 5 40 GDBB Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 28002461 YZPLDUSHPOSQNQ-UHFFFAOYSA-N 377.422 1.540 5 40 GDBB CNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NC(=O)NC1CCCCC1 5620082 DMKQNNBNJVCOAM-UHFFFAOYSA-N 378.385 1.952 5 40 GDBB Cc1ccc(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)c([N+](=O)[O-])c1 7883138 LMUGAAWNOCYTNK-CYBMUJFWSA-N 378.410 1.562 5 40 GDBB CCOc1nn(CCNS(=O)(=O)c2cnn(C(F)F)c2C)cc1[N+](=O)[O-] 36614506 UKCDREJMZHMPST-UHFFFAOYSA-N 394.360 1.069 5 40 GDBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1 36511938 GSQDJSDCSMCAGP-RDFPROHGSA-N 390.348 1.283 5 40 GDBB O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccc2c(c1)OCO2 32724183 ZBHSRZNDYMRFGF-UHFFFAOYSA-N 388.288 1.848 5 40 GDBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NC[C@@H]1COc2ccccc2O1 4956437 RKUQUGPDTVNHJH-CYBMUJFWSA-N 396.359 1.261 5 40 GDBB COc1cccc(-n2ccn3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)nc3c2=O)c1 225546752 JAWQXARTIJMIMG-UHFFFAOYSA-N 393.359 1.612 5 40 GDBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1 225245757 JNDGOWKHQIVDJP-UHFFFAOYSA-N 384.396 1.883 5 40 GDBB Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Nc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-] 100569068 KYHCBYPKTSEDTM-UHFFFAOYSA-N 398.313 1.384 5 40 GDBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 22714880 ODKNTGHTUGTBLF-AWEZNQCLSA-N 393.421 1.417 5 40 GDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 95459971 YHJHTPGMMNTYIF-UHFFFAOYSA-N 391.365 1.379 5 40 GDBB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nc2n1 9982808 NOGZLXZZSRLRCE-UHFFFAOYSA-N 388.315 1.584 5 40 GDBB O=[N+]([O-])c1ccc(N2N=N[C@@H](CN3CCOCC3)[C@@H]2N2CCOCC2)cc1 31771883 VBJOJOJOHCKBLS-DLBZAZTESA-N 376.417 1.141 5 40 GDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(C)=O 101176587 CQLVIAMFDVLLIU-DYTRJAOYSA-N 382.420 1.929 5 40 GDBB CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1 602141 VHXNKPBCCMUMSW-HXUWFJFHSA-N 393.355 1.988 5 40 GDBB biogenic,in-vitro C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 16042870 CJYDZOQNSMKQGM-KXDDBMSCSA-N 392.371 1.540 5 40 GDBB biogenic O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCCN1CCCCC1 7988435 UGZHQIZOWKHBOP-UHFFFAOYSA-N 399.469 1.480 5 40 GDBB CCOC(=O)C1=C(COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)NC(=O)N[C@H]1C 12825683 AELVXMKKJPQARX-AEZGRPFRSA-N 389.364 1.670 5 40 GDBB CC(=O)N1CCN(c2ccc(NC(=O)Cn3c([N+](=O)[O-])cnc3C)cc2)CC1 7344402 ATQNEPWWIYASRZ-UHFFFAOYSA-N 386.412 1.407 5 40 GDBB O=[N+]([O-])c1ccc(CN(c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575420441 IDMLCYOKQGCTPL-IRXDYDNUSA-N 378.406 1.465 5 40 GDBB CC(C)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 15391591 FAQHVLBFPFMNFW-GFCCVEGCSA-N 385.398 1.788 5 40 GDBB O=C(CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1)Nc1cccc([N+](=O)[O-])c1 12986782 ZDWLUFUVHBMGQM-SECBINFHSA-N 398.422 1.611 5 40 GDBB CSC[C@H](CCO)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 95426702 JTPCXSNJHUFDLX-NSHDSACASA-N 383.426 1.513 5 40 GDBB O=c1/c(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)sc2nc3ccccc3n12 6446974 AUGLTWDBBOMCGG-MLPAPPSSSA-N 384.329 1.979 5 40 GDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1ccc2c(c1)OCO2 45521247 SKNMRTWLYLQVQZ-UHFFFAOYSA-N 380.378 1.853 5 40 GDBB CNC(=O)c1ccc(N2CCCC[C@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])c1 72310977 RMVOBNLZRXXOBN-HNNXBMFYSA-N 376.413 1.172 5 40 GDBB O=[N+]([O-])c1ccc(CNc2ccc(N[C@@H]3CS(=O)(=O)C[C@@H]3O)cc2)cc1 575423234 ZMOFLKUXGKIMEI-SJORKVTESA-N 377.422 1.777 5 40 GDBB CC[N@@+]1([O-])CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC 247887988 LLIKIPAUZJTRGB-MPBGBICISA-N 385.486 1.298 5 40 GDBB in-vitro CN(Cc1ccco1)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 8054167 WQEVXJGDBVOSGP-UHFFFAOYSA-N 381.410 1.845 5 40 GDBB Cc1cnc(N(C)CCN(C)C(=O)c2ccc(-n3cnnn3)cc2)c([N+](=O)[O-])c1 1615611444 MHUZXMMMQWNPQQ-UHFFFAOYSA-N 396.411 1.482 5 40 GDBB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc([N+](=O)[O-])cc1 4940636 PLQRQPBMLXNKIB-UHFFFAOYSA-N 375.362 1.768 5 40 GDBB O=C(COC(=O)CNC(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 6596705 RHYYFMIBFWKICH-UHFFFAOYSA-N 375.312 1.646 5 40 GDBB O=C(Cn1c(=O)c(N2CCCC2)nc2ccc([N+](=O)[O-])cc21)NC1CCCC1 12922453 RROKGYXRMBRGFY-UHFFFAOYSA-N 385.424 1.964 5 40 GDBB Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6657619 CWEGDIGQTGXCMM-UHFFFAOYSA-N 382.332 1.935 5 40 GDBB C[C@H]1COc2c(N3CC[N+](C)([O-])CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 22065454 MVLAUMUQGRQERL-JTQLQIEISA-N 377.372 1.557 5 40 GDBB in-vitro COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 14256890 AYMMNXZETFLAJP-UHFFFAOYSA-N 394.361 1.969 5 40 GDBB Cc1onc(C(=O)NCCn2cc(Cl)cn2)c1Cn1cc([N+](=O)[O-])cn1 17077648 NCQQVDJRENWXBC-UHFFFAOYSA-N 379.764 1.416 5 40 GDBB O=C(COc1ccc([N+](=O)[O-])cc1)NN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1586220 YRQUSRMXVLCRTL-UHFFFAOYSA-N 386.276 1.209 5 40 GDBB O=[N+]([O-])c1ccc(O[C@@H]2O[C@H]3COC4(CCCCC4)O[C@@H]3[C@@H](O)[C@H]2O)cc1 6225829 ISZQEKQIBZZACU-ZOFXXKQRSA-N 381.381 1.496 5 40 GDBB CN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 71980038 IOOIVMHHAAFFTG-CYBMUJFWSA-N 383.788 1.596 5 40 GDBB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3383549 PKECWSLHXMAYQA-UHFFFAOYSA-N 379.350 1.038 5 40 GDBB COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113877992 FOJDGTTVDFEZMC-UHFFFAOYSA-N 380.378 1.972 5 40 GDBB O=C(Nc1cccnc1-n1cccn1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 48196445 LGORYPSNDUMHOY-UHFFFAOYSA-N 394.395 1.925 5 40 GDBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 24994713 ANRUBAAULPCMMB-UHFFFAOYSA-N 377.397 1.411 5 40 GDBB COc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1[N+](=O)[O-] 3442036 CRYQCYDRJVPQTL-UHFFFAOYSA-N 387.348 1.786 5 40 GDBB CSc1ccc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 4387576 BMFHRHWZISVUHZ-VIFPVBQESA-N 376.481 1.712 5 40 GDBB N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1CCO 104029713 VNLIHCMYMGSVSZ-UHFFFAOYSA-N 381.436 1.183 5 40 GDBB CCC(CC)(CO)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 72310964 MEDWRDSMTTZGMR-UHFFFAOYSA-N 387.458 1.579 5 40 GDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1nnnn1-c1ccc(Cl)cc1 10594618 SWDPQNVYELJBAJ-UHFFFAOYSA-N 394.800 1.702 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859014 CGJFHNCGEMXXEJ-CWSCBRNRSA-N 377.275 1.379 5 40 GDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NCc1ccco1 32945550 CBWZITUIVHSAQA-UHFFFAOYSA-N 389.364 1.498 5 40 GDBB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 102592189 MHXQWBOBHWHORV-UJARPBSLSA-N 381.388 1.977 5 40 GDBB CCN1CCN(Cc2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)CC1 58441035 NNLSLBHSCJHUHN-UHFFFAOYSA-N 399.451 1.533 5 40 GDBB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2cccnc2[N+](=O)[O-])c1 9662764 PPPVOXXNUHVBTI-UHFFFAOYSA-N 380.382 1.258 5 40 GDBB COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1SC(N2CCOCC2)=NC1=O 9962052 GNVYPWIZIMWLBT-CYBMUJFWSA-N 394.409 1.262 5 40 GDBB Cc1c(C(=O)N(C)C)sc2ncn3nc(Cn4ccc([N+](=O)[O-])n4)nc3c12 2791218 WCRMWOSUSNXSNH-UHFFFAOYSA-N 386.397 1.502 5 40 GDBB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 4592803 TWJKYCDAQQTRKJ-LZDSYCOUSA-N 386.360 1.352 5 40 GDBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 72310879 DRMRLSZAMNHANI-ZDUSSCGKSA-N 382.442 1.735 5 40 GDBB C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@@H](O)c2ccc3c(c2)OCO3)C1=O 62580046 BOQPORSMVVDNGH-AUUYWEPGSA-N 399.359 1.824 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N[C@@]1(O)C(F)(F)F 106213393 VXPATSMURSPXPK-CWSCBRNRSA-N 377.275 1.379 5 40 GDBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1 9569127 SJDLUIAVEIPXDA-UHFFFAOYSA-N 397.434 1.936 5 40 GDBB CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 4086343 XHAVSRIVCHTHDE-GBIKHYSHSA-N 393.343 1.544 5 40 GDBB CC(=O)O[C@@H]1CO[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 6073932 AUBLYQAWASNETD-VQHPVUNQSA-N 396.352 1.158 5 40 GDBB CCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCS(=O)(=O)C1 6205442 SUKKDWPPFRZZPV-CYBMUJFWSA-N 384.410 1.096 5 40 GDBB COc1ccccc1CCNC(=O)c1nc(Cn2nc([N+](=O)[O-])cc2C)no1 21451503 ZEQXJLLGCKMZHG-UHFFFAOYSA-N 386.368 1.512 5 40 GDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1 47266676 XELQJDDCTCWNNF-UHFFFAOYSA-N 391.449 1.906 5 40 GDBB C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 16031473 ZPHWWXPGFONSCT-XIVQJJCGSA-N 392.371 1.540 5 40 GDBB C[C@H]1CN(S(=O)(=O)CCNc2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 58202289 VDVUWLJBEGIXRE-STQMWFEESA-N 394.453 1.994 5 40 GDBB COC(=O)C(C(=O)OC)[C@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 5416016 WPMSAILIKIMHNF-QWHCGFSZSA-N 397.405 1.080 5 40 GDBB O=C1[C@H]2CCCN2C(=O)N1CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4661377 UINIZMWHKSTUGR-QGZVFWFLSA-N 387.440 1.534 5 40 GDBB Nc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1 6830494 OBVPEQZRVBIPQX-KRWDZBQOSA-N 385.376 1.934 5 40 GDBB COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1=O 40051881 FZPOCIDYXRJKKJ-UHFFFAOYSA-N 394.271 1.229 5 40 GDBB O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCc1cccc([N+](=O)[O-])c1 6596661 LARFDKDDRHRWPJ-UHFFFAOYSA-N 385.376 1.113 5 40 GDBB O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O)[C@@H]2O)cc1 255964339 BGBDVEKOBCWPHZ-YLXRRXKZSA-N 389.360 1.535 5 40 GDBB in-vitro O=C(NCc1ccc(-n2cccc2)cc1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 12360576 ZFTGUVACQHRTCB-UHFFFAOYSA-N 393.363 1.943 5 40 GDBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCCS(C)(=O)=O)CC1 40151740 OUYSSUYQFUYOLN-UHFFFAOYSA-N 383.470 1.996 5 40 GDBB COc1ccc(C(=O)NCC(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 6790419 ZCEXRHUQKZNTSJ-UHFFFAOYSA-N 387.348 1.378 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCN1CCCCC1)S(C)(=O)=O 10335600 XBAPNGPKQNYNGC-UHFFFAOYSA-N 398.485 1.271 5 40 GDBB CC(C)(C)[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1nc(-c2nc[nH]n2)no1 89642942 HWOXURBDROLESK-LLVKDONJSA-N 389.376 1.253 5 40 GDBB CN1CCN(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 40105401 CVQCUUHBWGZMLZ-UHFFFAOYSA-N 394.859 1.874 5 40 GDBB CCOC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859018 CGJFHNCGEMXXEJ-BREBYQMCSA-N 377.275 1.379 5 40 GDBB CCCn1nnnc1NC(=S)NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 17077534 NVQDKHDGQFSGBZ-UHFFFAOYSA-N 379.402 1.517 5 40 GDBB CC(C)CN1C(=O)CC(=O)N[C@@H]1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 10426319 XMYIPUQOPXDYQZ-INIZCTEOSA-N 380.426 1.555 5 40 GDBB CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2C1=O 25128353 GPRTUUPTKMLQSR-UHFFFAOYSA-N 383.316 1.616 5 40 GDBB Cc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)on1 10100374 UYTIGBCASQOJQX-UHFFFAOYSA-N 390.352 1.523 5 40 GDBB O=C(CN1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1)N1CCCC1 28068662 WLNXEMGUKFCFJP-UHFFFAOYSA-N 378.458 1.439 5 40 GDBB CC(C)n1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 5186440 AQFQTLXAQFNRRA-UHFFFAOYSA-N 382.380 1.843 5 40 GDBB C[N+]12C(=O)C[C@@H]3OCC=C4C[N+]5(C)CC[C@]6(c7ccccc71)[C@@H]2[C@H]3[C@H]4C[C@@]65O 5082118 UHPKVXPIJLPEII-LJDVSQCOSA-N 380.488 1.688 5 40 GDBB COc1ccc(CSCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1[N+](=O)[O-] 40073714 RRJLVSUPLMFAHY-UHFFFAOYSA-N 393.465 1.917 5 40 GDBB CC(C)NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=N 101096948 YOJXHHYHWPKGTN-UHFFFAOYSA-N 377.404 1.908 5 40 GDBB COC(=O)[C@H](CCSC)NC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1 41154595 VKISHSRZGPTYEP-ZDUSSCGKSA-N 383.426 1.126 5 40 GDBB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 33892655 WLQFISPYPOHSQN-SGPHBRAGSA-N 394.380 1.930 5 40 GDBB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 3308275 ILEAPIUBXDPEJV-UHFFFAOYSA-N 383.451 1.983 5 40 GDBB O=C(COC(=O)COc1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)OCO2 5505917 NUICEOFRVYLTNK-UHFFFAOYSA-N 388.332 1.562 5 40 GDBB O=C(COC(=O)COc1ccc([N+](=O)[O-])cc1)NC(=O)NCc1ccco1 9607326 PCWIBMAPLZLBBH-UHFFFAOYSA-N 377.309 1.136 5 40 GDBB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 250666774 IXDQKWALENFNJD-WFASDCNBSA-N 375.381 1.502 5 40 GDBB COc1cc(Cn2cnc3c(cnn3C)c2=O)c([N+](=O)[O-])cc1OC(F)F 8707120 UETNVRQPQLKNLI-UHFFFAOYSA-N 381.295 1.697 5 40 GDBB Cn1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 12893426 PAPCDLVFGYSKLM-CQSZACIVSA-N 393.425 1.510 5 40 GDBB CCOC(=O)C1=C(COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@H]1C 6053573 UOLWTDGYONQOBF-LAHYYIKRSA-N 389.364 1.670 5 40 GDBB CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1cc(OC)c2c(c1)OCO2 66091342 YHEQTHXPNVITPB-LLVKDONJSA-N 383.353 1.527 5 40 GDBB COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225021523 IGGFBWQBBBZWLR-UHFFFAOYSA-N 380.378 1.972 5 40 GDBB O=c1oc(-c2ccc(F)cc2)nn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 12788926 YIWULSCGJRABHV-CQSZACIVSA-N 375.312 1.991 5 40 GDBB CNC(=O)CCCNc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] 40149290 GJNHTQJBFMPNOW-UHFFFAOYSA-N 398.485 1.954 5 40 GDBB O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 4982719 DKTSSZLFSFUJPP-UHFFFAOYSA-N 393.421 1.905 5 40 GDBB COC(=O)C(C(=O)OC)[C@@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 5416014 WPMSAILIKIMHNF-STQMWFEESA-N 397.405 1.080 5 40 GDBB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 102116886 FARSZTSNMLECKS-KBPBESRZSA-N 389.364 1.252 5 40 GDBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(N2CCOCC2)cc1 3270999 DJBUMMMLRLAOAF-UHFFFAOYSA-N 375.337 1.820 5 40 GDBB COc1ccc2c3c1O[C@H]1[C@]34CCN(C=O)[C@@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([N+](=O)[O-])C2 100393514 HPDRZNAVNJHXRU-ADUPISGUSA-N 398.415 1.471 5 40 GDBB biogenic,in-vitro O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CCC(c2ccccc2)=N1 8924105 MNBAKZXFZRTIHS-UHFFFAOYSA-N 377.360 1.941 5 40 GDBB Cc1c(O)c(C=O)c2nc3c(O)ccc(C(=O)NCCN(C)C)c3nc2c1O 33849264 ZTPXMMNUQMFHLZ-UHFFFAOYSA-N 384.392 1.312 5 40 GDBB CCCN(Cc1ccc(C)cc1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 27054761 QCBSDCBVZSBIEO-UHFFFAOYSA-N 386.408 1.603 5 40 GDBB 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CNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OC 13678270 CTNGOJBQNMVIRO-UHFFFAOYSA-N 395.393 1.772 5 40 GDBB Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 20800079 LRBUTRUULDAHSD-LBPRGKRZSA-N 397.395 1.632 5 40 GDBB NC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 409054019 PURTYJBTVVINRY-UHFFFAOYSA-N 388.424 1.171 5 40 GDBB O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1NCCc1ccccc1 5005442 QLJNNJBBMZVSQV-UHFFFAOYSA-N 383.364 1.840 5 40 GDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1nnnn1-c1ccc(F)cc1 9571283 IVIUABKHNZPAGB-UHFFFAOYSA-N 378.345 1.188 5 40 GDBB Cc1nn(CC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1[N+](=O)[O-] 8685093 VVMQVJOJBNLPDT-UHFFFAOYSA-N 377.313 1.498 5 40 GDBB CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 32833514 UALPIJHXIKMCLJ-UHFFFAOYSA-N 387.395 1.473 5 40 GDBB CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 16499468 SDSFBEODBABMNY-UHFFFAOYSA-N 378.410 1.966 5 40 GDBB Cc1nn(C)cc1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 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O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1CCc2ncc([N+](=O)[O-])cc2C1 95996815 KANHNCBNVVWHQP-CYBMUJFWSA-N 382.376 1.962 5 40 GDBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](CC(C)C)NC(N)=O 9661950 XDXPHOJVOKHWIE-LBPRGKRZSA-N 382.373 1.168 5 40 GDBB O=C(NCCc1ccc(F)cc1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 24841211 NDLUFFBYIFOILT-DLBZAZTESA-N 377.372 1.670 5 40 GDBB CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4505353 QBHVLDMPULQSAH-SECBINFHSA-N 382.847 1.446 5 40 GDBB COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H](N2CCCC[C@H]2CCO)C1=O 250286825 VLBRCCBSMWEZIQ-WFASDCNBSA-N 377.397 1.472 5 40 GDBB O=C(N[C@H]1[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21)c1cnn2c1OCCC2 1615058720 UXLCIVRNJIDOQJ-VIKVFOODSA-N 387.371 1.578 5 40 GDBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON=C(c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 101593136 MFUYJJOIVFQJKJ-NVXWUHKLSA-N 395.327 1.813 5 40 GDBB C[C@H](C(=O)N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57362857 CVPIDXVZAVMDKL-OAHLLOKOSA-N 399.451 1.512 5 40 GDBB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)cc1OC 103519276 GMLKAZZYJGHRQO-DOTOQJQBSA-N 397.343 1.905 5 40 GDBB O=c1ncccn1Cc1cccc(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1 40153841 CIOWQYCWVARVHH-UHFFFAOYSA-N 390.359 1.951 5 40 GDBB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 24223938 WLOZXCKSSJVWCA-VXGBXAGGSA-N 391.380 1.835 5 40 GDBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 9569123 KYUJCSFWEPSWER-UHFFFAOYSA-N 397.434 1.936 5 40 GDBB N=C(NC1=N[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N1)Nc1ccccc1 9264778 MVRBXKMGSGIFPM-CQSZACIVSA-N 395.379 1.414 5 40 GDBB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 58418863 LVYHODCISSYBMK-SECBINFHSA-N 376.822 1.794 5 40 GDBB C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C3CCOCC3)c2)CCN1S(C)(=O)=O 4959787 QTPRYKFCTUWUCT-CYBMUJFWSA-N 383.470 1.959 5 40 GDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3c(C)nn(C)c3C)[C@H]2C1=O 102723333 LFBTWLFHHRIBMD-ZBFHGGJFSA-N 399.363 1.246 5 40 GDBB CCOC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 5560594 GCPHICFQVSUKGB-UHFFFAOYSA-N 377.806 1.711 5 40 GDBB Cc1nn(CC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1[N+](=O)[O-] 9119373 KORCEGLGHWZBBM-UHFFFAOYSA-N 392.324 1.926 5 40 GDBB O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)c1 194822349 VTPSEQINVJIRQC-UHFFFAOYSA-N 391.449 1.906 5 40 GDBB COc1ccc(NC(=O)CSc2nnc(C[C@H](C)O)n2C)c([N+](=O)[O-])c1 20436734 VAXDDOGXGYSAQH-VIFPVBQESA-N 381.414 1.386 5 40 GDBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(F)cc4)c(=N)n(C)c3nc12 100944311 WTBVGTKLPIDJTL-UHFFFAOYSA-N 398.419 1.946 5 40 GDBB Cc1nn(C)c(N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 95353028 QDJJPSBMJKDTNH-OAHLLOKOSA-N 392.847 1.639 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N[C@H]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 79064009 JVLCJQZBIXVRBS-STQMWFEESA-N 384.458 1.691 5 40 GDBB O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])o1 10705012 FMIZCYRBFSCFFM-UHFFFAOYSA-N 379.394 1.306 5 40 GDBB CS(=O)(=O)c1ccc(NC[C@@H]([C@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 40153817 MJEGPQXBHAUHQF-GUYCJALGSA-N 383.470 1.911 5 40 GDBB C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 12527161 UXJYSYCOXLYMTD-GJZGRUSLSA-N 382.486 1.940 5 40 GDBB O=C(CSc1nnc([C@H]2CCS(=O)(=O)C2)o1)Nc1cccc([N+](=O)[O-])c1 12986785 ZDWLUFUVHBMGQM-VIFPVBQESA-N 398.422 1.611 5 40 GDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCn2ccnc2)c1=N 100630699 JOQBZTHHEGAIJC-UHFFFAOYSA-N 392.419 1.592 5 40 GDBB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 17076760 IXDQKWALENFNJD-IUODEOHRSA-N 375.381 1.502 5 40 GDBB Nc1nc(NCCCN2CCOCC2)nc(NC2CCCCC2)c1[N+](=O)[O-] 20331737 RXUPVVUPJOZDPV-UHFFFAOYSA-N 379.465 1.846 5 40 GDBB COC[C@H](C)N1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 12862450 ZVKDGJZVENGCOF-GJZGRUSLSA-N 390.440 1.127 5 40 GDBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NC(=O)NCC(F)(F)F 17101031 ITEORUPHXSDRKT-UHFFFAOYSA-N 392.290 1.206 5 40 GDBB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3C)C2=O)C1 14607429 HQKBEVXARWHRKB-XJKSGUPXSA-N 389.408 1.810 5 40 GDBB COC(=O)c1cccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 5914979 RTCGCGKHYPZXAB-UHFFFAOYSA-N 383.316 1.616 5 40 GDBB COCC(=O)N[C@H]1CCCC[C@@]12CN(Cc1cc(O)ccc1[N+](=O)[O-])CCO2 306137144 QMMAUDHCVKKUKG-PKOBYXMFSA-N 393.440 1.577 5 40 GDBB O=[N+]([O-])c1ccc(CN(c2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575420442 IDMLCYOKQGCTPL-SJORKVTESA-N 378.406 1.465 5 40 GDBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCCO2)CC1 33039550 FDUBTWMEQNRKNQ-BBRMVZONSA-N 376.413 1.245 5 40 GDBB CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2[N+](=O)[O-])cc1 24170927 CDOHHNRGVDNVGC-UHFFFAOYSA-N 392.389 1.819 5 40 GDBB CCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3cc(C)ccc3nc21 100810626 SBILTVJDQYDIDL-CYBMUJFWSA-N 381.436 1.366 5 40 GDBB aggregator O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 102592187 MHXQWBOBHWHORV-ZJMHZOEWSA-N 381.388 1.977 5 40 GDBB N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1CCCO 100630558 ZJZSBYWUHZLLJV-UHFFFAOYSA-N 393.403 1.034 5 40 GDBB Cn1cnc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 8337035 DOYPNZGFVQQKHP-UHFFFAOYSA-N 387.368 1.117 5 40 GDBB NS(=O)(=O)c1ccc(CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1 29187001 MUHLQPMKTVQPMX-UHFFFAOYSA-N 389.393 1.133 5 40 GDBB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 409072165 IWWAZDQDLOGLET-MLRKJWDCSA-N 380.334 1.921 5 40 GDBB C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1N=NN(c2ccc([N+](=O)[O-])cc2)[C@H]31 100123195 XKMNRBHVUONMEI-IJQZNUROSA-N 399.363 1.243 5 40 GDBB COc1ccc2c(c1)N(CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C(=O)C2=O 40082970 JULNNRLPMFIJBT-UHFFFAOYSA-N 396.403 1.912 5 40 GDBB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 4515908 YUNMJBPFKPTAGQ-FZMZJTMJSA-N 387.396 1.709 5 40 GDBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCC(F)(F)F 5688458 RKBZEFXDSLBWAE-UHFFFAOYSA-N 391.302 1.267 5 40 GDBB CNS(=O)(=O)c1ccc(NCCc2cn3ccccc3n2)c([N+](=O)[O-])c1 32891536 RVAZFCGNTAFBQO-UHFFFAOYSA-N 375.410 1.805 5 40 GDBB O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 103560842 VWWLKROYCVMWQW-ZFWWWQNUSA-N 382.288 1.796 5 40 GDBB COCCCn1c(=N)c(C(=O)NC(C)C)cc2c(=O)n3cccc(C)c3nc21 101099541 WOXMZNZFCHRPOT-UHFFFAOYSA-N 383.452 1.612 5 40 GDBB NS(=O)(=O)c1ccc(NC[C@H]([C@@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 48264402 KAOSVLWBYWUPNY-MLGOLLRUSA-N 384.458 1.155 5 40 GDBB CN(C(=O)CN1CCC[C@@H]1C(=O)NCc1ccco1)c1ccc([N+](=O)[O-])cc1 31558004 PBQVHPRYAQDFGF-QGZVFWFLSA-N 386.408 1.931 5 40 GDBB COC(=O)c1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc([N+](=O)[O-])c1 3320173 DRKAOUPRJJDHSR-UHFFFAOYSA-N 381.341 1.163 5 40 GDBB Cc1nn(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-] 8328947 URYZPHVOUNTHMD-OAHLLOKOSA-N 398.485 1.757 5 40 GDBB O=C(COc1ccc([S@@](=O)C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 951687 CNXLKLFCAIZHDU-VWLOTQADSA-N 382.316 1.460 5 40 GDBB CS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 10278346 RCHWWTYKEMRWCF-UHFFFAOYSA-N 398.485 1.353 5 40 GDBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCN(c2ccccn2)CC1 10564396 VCWQDJPNIIBNAV-RMKNXTFCSA-N 396.403 1.895 5 40 GDBB COC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCCn2ccnc2)c1=N 100630695 BPLQVENZIBVWAB-UHFFFAOYSA-N 392.419 1.510 5 40 GDBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 57897259 PKSTWCYURLMLTO-GFCCVEGCSA-N 393.387 1.923 5 40 GDBB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])ccc1Cl 71980241 VIXVMCKABAVLIU-CQSZACIVSA-N 397.815 1.986 5 40 GDBB CC(=O)O[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O 13303104 AUBLYQAWASNETD-NCOADZHNSA-N 396.352 1.158 5 40 GDBB CC(=O)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1cccc(C(=O)O)c1 1508451 DNSAWIIFEVZBLY-UHFFFAOYSA-N 383.316 1.900 5 40 GDBB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4839232 INTFPDIPGRTFEC-CYBMUJFWSA-N 379.413 1.749 5 40 GDBB Cc1c(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] 408627131 KNERZNUPQJIDFL-UHFFFAOYSA-N 394.434 1.677 5 40 GDBB CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H]1OC(C)=O 31393500 AUBLYQAWASNETD-TWMKSMIVSA-N 396.352 1.158 5 40 GDBB CN(C)S(=O)(=O)OCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 226859562 WUMLZANIXLLQDC-UHFFFAOYSA-N 393.377 1.167 5 40 GDBB CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccc(F)cc2)c1=N 101104567 VXSVPSCXCHHMPB-UHFFFAOYSA-N 391.406 1.984 5 40 GDBB CCOC(=O)C(Nc1cc([N+](=O)[O-])ccc1C(=O)OC)(OC)C(=O)OCC 1607548 PMAMJUQUFFIGBH-UHFFFAOYSA-N 384.341 1.262 5 40 GDBB COc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2N)c([N+](=O)[O-])c1 9512002 TVGYFZSGNUGPMR-UHFFFAOYSA-N 390.308 1.889 5 40 GDBB CC(C)CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 3431438 GNRBQXQQQGUEOQ-LLVKDONJSA-N 388.398 1.016 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 8146898 YAICHGJRZIHGCH-UHFFFAOYSA-N 384.458 1.294 5 40 GDBB O=C(O)CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 34926591 WGYCTOFNNAGTPB-UHFFFAOYSA-N 398.419 1.835 5 40 GDBB COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1S(N)(=O)=O 9490986 VSEZWMCNECLEER-UHFFFAOYSA-N 387.395 1.052 5 40 GDBB COc1ccc(CCNC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 57322442 MGNRNKJOKSMONS-UHFFFAOYSA-N 382.376 1.672 5 40 GDBB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 34924586 UYRCRPXKGACVJM-ZDUSSCGKSA-N 375.341 1.753 5 40 GDBB CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 28005712 BLTURAZOAPAXEO-ZDUSSCGKSA-N 399.359 1.801 5 40 GDBB COCCNc1ccc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] 30603072 NQOJRWLSLZLMLI-GJZGRUSLSA-N 394.472 1.882 5 40 GDBB COc1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 12540464 RHUOMFXBYHFIES-UHFFFAOYSA-N 384.392 1.665 5 40 GDBB COc1ccc(S(=O)(=O)NCc2nnc(C3CC3)n2C2CC2)c([N+](=O)[O-])c1 95941928 VFBBLYNRLFVKIM-UHFFFAOYSA-N 393.425 1.886 5 40 GDBB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1[N+](=O)[O-] 8263490 YJXSQPFGAAYQHG-UHFFFAOYSA-N 375.362 1.686 5 40 GDBB NC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 9512178 HTBGYCAMPKEQMQ-UHFFFAOYSA-N 396.450 1.266 5 40 GDBB COCC(=O)N[C@@H]1CCCC[C@]12CN(Cc1cc(O)ccc1[N+](=O)[O-])CCO2 306137143 QMMAUDHCVKKUKG-MJGOQNOKSA-N 393.440 1.577 5 40 GDBB Cc1nn(C)cc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 96011405 PWDOOELYHMAMMT-UHFFFAOYSA-N 395.441 1.270 5 40 GDBB NS(=O)(=O)c1cccc(NC2CCN(C(=O)c3ccoc3)CC2)c1[N+](=O)[O-] 95467684 BXSDYZNOFBEMNG-UHFFFAOYSA-N 394.409 1.552 5 40 GDBB O=C(NC(=S)NC1=NCCS1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408629141 ZZURZKZJWJUMFT-UHFFFAOYSA-N 379.467 1.902 5 40 GDBB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 17946102 JCIQJCBIMRYZBF-OAHLLOKOSA-N 375.381 1.502 5 40 GDBB CN(C)CCSc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 83851142 NYIQJUUKGKHOSD-UHFFFAOYSA-N 375.472 1.269 5 40 GDBB Cc1c(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cccc1[N+](=O)[O-] 58086165 XBJBSSALICEEPA-WMLDXEAASA-N 378.429 1.762 5 40 GDBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCCO2)CC1 33039552 FDUBTWMEQNRKNQ-XJKSGUPXSA-N 376.413 1.245 5 40 GDBB CCOc1cc2c(cc1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)O[C@@H](C)C2 7020474 DXCWESHCVCTRLO-LBPRGKRZSA-N 387.392 1.795 5 40 GDBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2nnc(C)s2)CC1=O 408684664 KDZLFJSUAMVFNZ-SECBINFHSA-N 377.382 1.755 5 40 GDBB COc1cccc([C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])N(C)C)c1 12552715 KKPZCSRMOHZUQA-KRWDZBQOSA-N 394.453 1.966 5 40 GDBB CCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)n1 40399152 IYARRDLIMPIFMD-UHFFFAOYSA-N 399.414 1.824 5 40 GDBB O=[N+]([O-])c1ccc(CS(=O)(=O)NC2CCN(c3ncccn3)CC2)cc1 56058984 WZOBHESOOWHLIP-UHFFFAOYSA-N 377.426 1.473 5 40 GDBB O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3COC4(CCCCC4)O[C@@H]3[C@H](O)[C@@H]2O)cc1 44170489 ISZQEKQIBZZACU-UHDSXZAQSA-N 381.381 1.496 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@@]1(O)C(F)(F)F 11859019 CGJFHNCGEMXXEJ-KWBADKCTSA-N 377.275 1.379 5 40 GDBB COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-] 3232766 WIWCPSSNVLNKDA-UHFFFAOYSA-N 386.316 1.974 5 40 GDBB COc1cccc(/C=c2\sc3n(c2=O)CN(c2cccc([N+](=O)[O-])c2)CN=3)c1 13564519 NXVBHFUKBGZYGO-MFOYZWKCSA-N 396.428 1.710 5 40 GDBB C[C@@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 4979505 KLHWBSIODSZEEM-NSHDSACASA-N 397.343 1.761 5 40 GDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)cc1 56966031 SMDZZTUYYDNJLO-UHFFFAOYSA-N 390.465 1.695 5 40 GDBB O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(=O)N2CCOCC2)cc1 25340560 FZEXGTYTXGBBIQ-UHFFFAOYSA-N 399.403 1.762 5 40 GDBB CN(C)S(=O)(=O)c1ccc(NC(=O)COc2cccnc2[N+](=O)[O-])cc1 2619789 BEUODSRMNSGKJY-UHFFFAOYSA-N 380.382 1.258 5 40 GDBB O=C1NC(=O)/C(=C\c2cc([N+](=O)[O-])cc(I)c2O)N1 409047698 PYNIIMCNOYVFRX-FARCUNLSSA-N 375.078 1.085 5 40 GDBB CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)S(=O)(=O)c1ccc(F)cc1 8708691 XNFVAAZQIBCQDY-UHFFFAOYSA-N 393.396 1.944 5 40 GDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)Cn3c(=O)oc4ccccc43)cc21 408599152 FLLWDPREYDXFKX-UHFFFAOYSA-N 397.347 1.332 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CN2CCOCC2)CC1 32935796 WBSPLRROWYEURS-UHFFFAOYSA-N 383.470 1.636 5 40 GDBB NC(=O)[C@H]1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 33010888 ILTDQYJTWSHXJC-OAHLLOKOSA-N 390.421 1.850 5 40 GDBB O=[N+]([O-])c1ccc(CN2CCOCCOCCOCCOCCOCC2)cc1 57448089 UZSNCYASMMCENI-UHFFFAOYSA-N 398.456 1.493 5 40 GDBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N[C@@H]1CCS(=O)(=O)C1 9612530 IENODVCUVVMOSK-MRVPVSSYSA-N 387.464 1.600 5 40 GDBB O=C(O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225008168 XCFHFXDYNTXPFS-UHFFFAOYSA-N 381.322 1.783 5 40 GDBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 138235467 ZPHWWXPGFONSCT-LTBQAUOJSA-N 392.371 1.540 5 40 GDBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(N)=O)n[nH]1 409155592 LUKQRKGBBQMXNL-LBPRGKRZSA-N 378.414 1.417 5 40 GDBB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3ccc(O)c([N+](=O)[O-])c3)s2)cc1 102971172 KTACXTHTOZVHEA-XFQWXJFMSA-N 398.396 1.551 5 40 GDBB O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3COC4(CCCCC4)O[C@@H]3[C@@H](O)[C@@H]2O)cc1 247312097 ISZQEKQIBZZACU-JSRQGNBESA-N 381.381 1.496 5 40 GDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccc2c(c1)OCO2 3598665 LEAQRMPLLRSITQ-UHFFFAOYSA-N 383.316 1.236 5 40 GDBB O=C1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)N1 5603565 HJVCCRAGMNKSKC-SJORKVTESA-N 396.403 1.539 5 40 GDBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NC(=O)NCc1ccccc1 4412082 PDIOUBUTWJFAIE-UHFFFAOYSA-N 381.348 1.331 5 40 GDBB CN1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 12137687 SPYNOVRIAQNXQH-UHFFFAOYSA-N 398.419 2.000 5 40 GDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 95455683 XBTGAEHMHNOIMH-INIZCTEOSA-N 396.513 1.694 5 40 GDBB CC1(C)O[C@@H]2O[C@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 13410185 CCRYLXMJSTVYDO-WVFFKWQOSA-N 398.368 1.314 5 40 GDBB biogenic O=c1cccc2n1C[C@H]1C[C@H]2CN(c2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])C1 101097544 HAQFWDCTDAHFNQ-KBPBESRZSA-N 394.391 1.199 5 40 GDBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2S1(=O)=O 4940726 BJDLYXQCWOWDNU-SNVBAGLBSA-N 375.362 1.767 5 40 GDBB Cc1c(S(=O)(=O)NCCCn2cc(Cl)c([N+](=O)[O-])n2)cnn1C(F)F 36614739 FQYPEDZYEFIFAN-UHFFFAOYSA-N 398.779 1.713 5 40 GDBB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccccc1[N+](=O)[O-] 6324991 JEOQZCKDELHBDP-RYUDHWBXSA-N 389.364 1.252 5 40 GDBB Cc1ccc(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)c([N+](=O)[O-])c1 7883139 LMUGAAWNOCYTNK-ZDUSSCGKSA-N 378.410 1.562 5 40 GDBB CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(Cc2cccnc2)c1=N 100627571 LLJVILSVYOBMKW-UHFFFAOYSA-N 388.431 1.630 5 40 GDBB CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 4893207 BOVYJQNKCDATSF-KGLIPLIRSA-N 394.380 1.691 5 40 GDBB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 58438298 PLIDCTWONUANTN-FZKQIMNGSA-N 388.424 1.543 5 40 GDBB O=C(NC(=S)Nc1ccccn1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408619176 GJIXCJBGABFZHK-UHFFFAOYSA-N 387.421 1.953 5 40 GDBB O=[N+]([O-])c1ccc(O[C@H]2O[C@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O)[C@@H]2O)cc1 584578719 BGBDVEKOBCWPHZ-DYKIIFRCSA-N 389.360 1.535 5 40 GDBB NS(=O)(=O)c1ccc(N2CCN(Cc3ccsc3)CC2)c([N+](=O)[O-])c1 15143434 ZRGVIJXFYMMWSA-UHFFFAOYSA-N 382.467 1.626 5 40 GDBB COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(Br)cc1O 6441137 HLVXECTXVZYQDY-NSCUHMNNSA-N 384.142 1.619 5 40 GDBB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN(CCO)CCO 3778853 JKHTUYHPXPGIQP-UHFFFAOYSA-N 387.392 1.021 5 40 GDBB CN1CCN(C(=O)COc2ccc([S@](=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 19863589 JUDCOIBCCDGNOG-AREMUKBSSA-N 395.359 1.375 5 40 GDBB COc1ccc2oc3cc(OCC(=O)N4CCNC4=O)cc(O)c3c(=O)c2c1 62001408 WNGZBYMBFQUCGN-UHFFFAOYSA-N 384.344 1.591 5 40 GDBB biogenic COc1ccc(C(=O)NCC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 48374492 MLOVTVGPGWFVAI-UHFFFAOYSA-N 398.419 1.682 5 40 GDBB O=C(Cc1ccc(C2=NCCN2)cc1[N+](=O)[O-])c1ccc(C2=NCCN2)cc1 1583609 KXKCYZROBMKJQY-UHFFFAOYSA-N 377.404 1.720 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)NC(=O)N[C@H]1C 9670316 WTBDDVGVUXJHCV-VIFPVBQESA-N 393.352 1.279 5 40 GDBB Cc1cc(=O)[nH]c(NC2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 57721349 FKUXFWUTSBZJRZ-UHFFFAOYSA-N 393.425 1.252 5 40 GDBB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 3444066 KFOLCBHICDALMX-UHFFFAOYSA-N 383.451 1.983 5 40 GDBB CCN1CCN([C@@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)CC1 89977303 PAVTXAZYQXOSTB-OAHLLOKOSA-N 377.445 1.847 5 40 GDBB CCOc1cccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)c1OCC(=O)O 409338695 ONIZHQJHCFEWTP-VOTSOKGWSA-N 377.309 1.829 5 40 GDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCN1C(=O)c2ccccc2C1=O 3281326 ZRPWOSNBVSFBBX-UHFFFAOYSA-N 397.343 1.512 5 40 GDBB CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(C[C@@H]2CCCO2)c1=N 16742596 ZIGGKEXWYHUIBH-ZDUSSCGKSA-N 381.436 1.366 5 40 GDBB CN1CCN(C(=O)COc2ccc([S@@](=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 19863585 JUDCOIBCCDGNOG-SANMLTNESA-N 395.359 1.375 5 40 GDBB Cc1nn(Cc2ccc(C(=O)N3CCCS3(=O)=O)cc2)c(C)c1[N+](=O)[O-] 40153265 JIOAOORNBZXIHH-UHFFFAOYSA-N 378.410 1.632 5 40 GDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCCOc1ccccc1F 8632882 UPWMVDFFPUCMDE-UHFFFAOYSA-N 388.307 1.952 5 40 GDBB Cc1ccn2c(=O)c(C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cnc2c1 58343607 FXJMGXNRQZJIIL-UHFFFAOYSA-N 394.391 1.269 5 40 GDBB COc1ccc(NC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1OC 4867166 XUPCKEURCHKVLF-UHFFFAOYSA-N 375.337 1.990 5 40 GDBB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 100550348 MQZSVWVJONYPDK-MWDDYTRKSA-N 384.344 1.128 5 40 GDBB CCCNC(=O)CN1CCC(Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1 29622249 ZPGXHOIMYJUTHV-UHFFFAOYSA-N 377.449 1.362 5 40 GDBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@@H](O)CN1CCOCC1 32829099 ZFDFFUHBLUQFFO-SNVBAGLBSA-N 394.306 1.627 5 40 GDBB Cc1noc(CN2CCN(c3ccc(N4CCOC4=O)cc3[N+](=O)[O-])CC2)n1 84286732 VJWZGUWSXYATBD-UHFFFAOYSA-N 388.384 1.565 5 40 GDBB COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224749629 KFRDLCHCRJDLJY-UHFFFAOYSA-N 394.361 1.692 5 40 GDBB O=[N+]([O-])c1cc(C(=S)N2CCOCC2)cc(I)c1O 832388 SIDGFMZPZGWXCV-UHFFFAOYSA-N 394.190 1.913 5 40 GDBB Cc1cccn2c(=O)cc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)nc12 24885442 XGQYUPLNXZVREI-UHFFFAOYSA-N 383.316 1.997 5 40 GDBB O=C(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)NCC(F)(F)F 47179323 NWXQTLYRXZHLAW-UHFFFAOYSA-N 391.349 1.949 5 40 GDBB CCCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3cc(C)ccc3nc21 100627806 WICYGVCSNORBFY-AWEZNQCLSA-N 395.463 1.756 5 40 GDBB O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc(Sc2ccccc2)c1 102997967 XBMKODJDSTWVOB-YLFCFFPRSA-N 378.406 1.597 5 40 GDBB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 101862804 ZMXNVYCECJBPJR-CALCHBBNSA-N 398.419 1.195 5 40 GDBB CN1CCN(S(=O)(=O)c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)CC1 34872515 AFADQLSVWJUDHJ-ZDUSSCGKSA-N 384.458 1.122 5 40 GDBB COC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 408549310 SFZQHHOBXSWRPQ-RIYZIHGNSA-N 398.331 1.848 5 40 GDBB CCn1nnc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 32127116 UEXACZLXBPYGJW-UHFFFAOYSA-N 387.381 1.988 5 40 GDBB O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)NC2CC2)cc1 48363693 RXOPTFDVJWKUDD-UHFFFAOYSA-N 375.406 1.966 5 40 GDBB Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCc2nnn[nH]2)n1-c1ccccc1 12427692 BPYRYPYNGJWSIT-UHFFFAOYSA-N 398.412 1.534 5 40 GDBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 247986719 ZPHWWXPGFONSCT-NBFIXFRYSA-N 392.371 1.540 5 40 GDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1-n1cnc2ccccc21 5660254 HQKYDTFOHQNFGA-UHFFFAOYSA-N 388.405 1.955 5 40 GDBB CCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(C)c([N+](=O)[O-])c1 71980194 BOJCMWVMELNTFQ-OAHLLOKOSA-N 377.397 1.641 5 40 GDBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)N1CCCCC1 24746872 KHALUOMCLKEBJQ-CHWSQXEVSA-N 377.397 1.657 5 40 GDBB Cc1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1[N+](=O)[O-] 12975208 GSBHRIIPARPISV-UHFFFAOYSA-N 394.387 1.914 5 40 GDBB COC(=O)CCSc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 9584985 WRQKQKDANHWXNN-UHFFFAOYSA-N 390.439 1.271 5 40 GDBB NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 4574436 AVHROOSDCIZXJX-UHFFFAOYSA-N 396.469 1.089 5 40 GDBB COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccccc1)S(=O)(=O)Oc1ccccc1 3015348 FYZAEUGEUAZUOX-HOTGVXAUSA-N 379.390 1.997 5 40 GDBB Cc1nn(CC(=O)OCc2cc(=O)n3c(C)csc3n2)c(C)c1[N+](=O)[O-] 9789390 UXBLOMFRIWRZCW-UHFFFAOYSA-N 377.382 1.529 5 40 GDBB Cc1nn(CCCNS(=O)(=O)c2cnn(C(F)F)c2C)c(C)c1[N+](=O)[O-] 36614723 MGKGNLBZXVAXPU-UHFFFAOYSA-N 392.388 1.677 5 40 GDBB COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225021216 NDNLDSJYBDAYKA-UHFFFAOYSA-N 380.378 1.972 5 40 GDBB CCOC(=O)c1c(SC)nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1N 16683046 IUQKXJYOCWTNFL-UHFFFAOYSA-N 386.411 1.509 5 40 GDBB Nc1nc(N)nc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 1559915 PPXBIGZLUXRESK-UHFFFAOYSA-N 387.381 1.412 5 40 GDBB Cc1cccc(C)c1NC(=O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 6510642 JWPZZUDUQZKCTR-UHFFFAOYSA-N 378.410 1.910 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2ccccc2[N+](=O)[O-])NC(=S)N[C@]1(O)C(F)(F)F 57531356 GZQVHVYVHVDXPI-OPQQBVKSSA-N 393.343 1.544 5 40 GDBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN(Cc2ccccc2)CC1 39969215 BTIFVQBYRKCGLZ-UHFFFAOYSA-N 396.403 1.847 5 40 GDBB O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575423061 XUEYLFHHFKKDEY-QZTJIDSGSA-N 376.434 1.755 5 40 GDBB CCOC(=O)CC[C@@H](NC(=O)c1ccc(NC)c([N+](=O)[O-])c1)C(=O)OCC 5051796 YQZUJIUDONYMLD-CYBMUJFWSA-N 381.385 1.641 5 40 GDBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)NC(=O)NC1CC1 36386088 AATZARRNJJYKKG-UHFFFAOYSA-N 398.423 1.253 5 40 GDBB Cc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])n1 8685110 BSWUDCBYUHCHJB-UHFFFAOYSA-N 376.344 1.913 5 40 GDBB Cc1c(NCCO)c([N+](=O)[O-])cc([N+](=O)[O-])c1NCCCN1CCOCC1 19866595 HQQBFBSYZIZTKQ-UHFFFAOYSA-N 383.405 1.350 5 40 GDBB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1cc([N+](=O)[O-])ccc1F 69585938 MJJTUQQZOCVEKE-BLLLJJGKSA-N 382.392 1.593 5 40 GDBB Cc1nc(N2CCN(CCO)CC2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] 36708765 ZOQBMJWBCOZSND-UHFFFAOYSA-N 376.392 1.690 5 40 GDBB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 101139625 MQZSVWVJONYPDK-IYVPYFHTSA-N 384.344 1.128 5 40 GDBB O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1cccc([N+](=O)[O-])c1 23074990 OWOIKDNYDJYPMZ-UHFFFAOYSA-N 385.428 1.719 5 40 GDBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 15549115 NASOLLGQPBBEEP-LBPRGKRZSA-N 392.437 1.874 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 30862966 NSGKYZDWXBGKTR-LLVKDONJSA-N 386.430 1.060 5 40 GDBB Nc1nc(NCCCN2CCOCC2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] 20325654 BOFBGGWXWFWVCE-UHFFFAOYSA-N 391.407 1.984 5 40 GDBB CC(C)(C)c1ccc(OC[C@@H](O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cc1 12904333 KASWNLYOHXAFPY-AWEZNQCLSA-N 389.408 1.593 5 40 GDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)NC[C@H]1CCCO1 8826487 RMYWKYLANBSWHN-CQSZACIVSA-N 377.397 1.647 5 40 GDBB Cc1nn(Cn2ccc(-c3nc4c5cn[nH]c5ncn4n3)n2)c(C)c1[N+](=O)[O-] 17077526 BXWFLJRVWFMQMZ-UHFFFAOYSA-N 379.344 1.091 5 40 GDBB CCOC(=O)CC[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC 4958173 YCNSYBFPIAMUPL-QARUFBMTSA-N 378.381 1.999 5 40 GDBB CN(Cc1ccsc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO 7695795 KSWJBDSXSHVQQJ-UHFFFAOYSA-N 393.421 1.876 5 40 GDBB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)C1 54670807 ICKOVDBYNHSSOD-CZUORRHYSA-N 389.408 1.810 5 40 GDBB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 4156013 YXWCTSYOWYFRBL-LZDSYCOUSA-N 386.360 1.352 5 40 GDBB COc1c(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc(OC(C)=O)c1[N+](=O)[O-] 34851701 MTJRMVJSDDUPSZ-HWKANZROSA-N 392.280 1.396 5 40 GDBB Cn1c(Cn2cnc([N+](=O)[O-])n2)nnc1SCC(=O)Nc1ccc(F)cc1 3627255 TVLKZZSPRLHQRT-UHFFFAOYSA-N 392.376 1.233 5 40 GDBB O=C(COC(=O)CNC(=O)c1cccs1)Nc1ccc(F)c([N+](=O)[O-])c1 7778220 ZCAJXNPQKXNNJL-UHFFFAOYSA-N 381.341 1.707 5 40 GDBB O=C(Cn1cnc2sccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 17480295 JCFXNUYEQXDHIV-UHFFFAOYSA-N 399.432 1.715 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CNCC(F)(F)F 58315808 HTQZPPOKBHMJFS-QMMMGPOBSA-N 379.291 1.626 5 40 GDBB CCOC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387377 CGJFHNCGEMXXEJ-GBIKHYSHSA-N 377.275 1.379 5 40 GDBB CNS(=O)(=O)c1ccc(NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 5693821 SDYFXNHKBZVRDS-NSHDSACASA-N 379.394 1.755 5 40 GDBB CCCNC(=O)NC(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 7652606 QSCYZSWITGCWGG-UHFFFAOYSA-N 388.174 1.750 5 40 GDBB CCN(C(=O)[C@H](C)Oc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 7772172 XFUOYMUCFFGVCR-NWDGAFQWSA-N 386.426 1.406 5 40 GDBB Cc1c(S(=O)(=O)NCCn2cc(Cl)c([N+](=O)[O-])n2)cnn1C(F)F 36614573 LIPKPZMPIFMEET-UHFFFAOYSA-N 384.752 1.323 5 40 GDBB CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859218 QOHLVTLPOCXGIL-GYSYKLTISA-N 391.302 1.721 5 40 GDBB C[C@H](OC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)Nc1cccc([N+](=O)[O-])c1 22012971 UFZHBZNCRFUHIX-GDKCJGSASA-N 393.421 1.919 5 40 GDBB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 22374191 VPZWQHHBIUJJOV-UHFFFAOYSA-N 385.785 1.962 5 40 GDBB COC(=O)c1ccccc1NC(=O)COC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 13135094 QNZWIFIGQVFALI-UHFFFAOYSA-N 390.352 1.377 5 40 GDBB O=C(O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225007753 JIVLBIWWRYOWFU-UHFFFAOYSA-N 394.361 1.646 5 40 GDBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 5292585 WBBWTRCABRSXRX-UHFFFAOYSA-N 376.369 1.797 5 40 GDBB CC(CNc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] 100034269 LOPDYRBBSXWADO-UHFFFAOYSA-N 394.640 1.746 5 40 GDBB CC(C)CN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)NC(=O)NC2=O)[C@H]1C(C)C 4593994 ZGTBPIGLLGBZPG-OAHLLOKOSA-N 388.424 1.990 5 40 GDBB COc1ccc(OC)c(NC(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 878027 SNBGZAOFBAJSHM-UHFFFAOYSA-N 384.352 1.904 5 40 GDBB COC(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])c1 6879016 IOUHMIDDWVIAFV-UHFFFAOYSA-N 379.350 1.281 5 40 GDBB C[C@H]1C(=O)N=C(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)NC1=O 101825117 NGJPJNMOLRVORY-UHFFFAOYSA-N 387.396 1.006 5 40 GDBB Cc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)cc1[N+](=O)[O-] 14099508 OYSDVMSNSWNMKS-UHFFFAOYSA-N 392.437 1.613 5 40 GDBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2CC12C(=O)N(C)C(=S)N(C)C2=O 6673020 BKHVWTDBDWKHDF-CQSZACIVSA-N 390.465 1.958 5 40 GDBB CS(=O)(=O)c1ccc(NC[C@@H]([C@@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 40153815 MJEGPQXBHAUHQF-DYVFJYSZSA-N 383.470 1.911 5 40 GDBB CCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC(C)=O)c1=N 101350479 DNZCXUAUKHQFSQ-UHFFFAOYSA-N 397.435 1.222 5 40 GDBB CCNC(=O)C1(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CCCCC1 58201806 DJIDRNKAUOXVNV-UHFFFAOYSA-N 377.397 1.950 5 40 GDBB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 31839558 NLNXYMXLBWZCPJ-OAHLLOKOSA-N 375.366 1.572 5 40 GDBB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 58418866 LVYHODCISSYBMK-VIFPVBQESA-N 376.822 1.794 5 40 GDBB O=c1[nH]c2nc3ccccc3n2c2ccc(S(=O)(=O)N3CCOCC3)cc12 8135974 IEQRQQHTDQLATL-UHFFFAOYSA-N 384.417 1.350 5 40 GDBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@]1(O)CCSC1 72310434 AYZBPEQXSMHWPW-MRXNPFEDSA-N 381.410 1.267 5 40 GDBB COc1ccc(NC(=O)N2CCN(Cc3nc(C)no3)CC2)c([N+](=O)[O-])c1 32932995 GOCJQJAQBGDWRP-UHFFFAOYSA-N 376.373 1.645 5 40 GDBB CC(C)[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCOCC1 27369705 GGWALLWVACRWGX-KRWDZBQOSA-N 379.461 1.663 5 40 GDBB O=C(O)[C@@H]1[C@H](C(=O)O)NCCN1C(=O)c1ccc2ccc3ccccc3c2c1 38595286 VVUAQPXBYDYTDF-MSOLQXFVSA-N 378.384 1.945 5 40 GDBB in-vitro O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1 10251198 DHEQOKGRNMRIJL-UHFFFAOYSA-N 376.332 1.874 5 40 GDBB O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H](O)COCc1ccc2c(c1)OCO2 9690788 UMABVJKIIVQGSF-AWEZNQCLSA-N 399.359 1.611 5 40 GDBB CN(Cc1c(F)cccc1Cl)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 40050072 YAQCOUWEHZFKLP-UHFFFAOYSA-N 396.762 1.307 5 40 GDBB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 3224846 RCVYYDTXOMBKFZ-UHFFFAOYSA-N 375.312 1.646 5 40 GDBB CC1(C)NC(=O)N(CCOC(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)C1=O 96012702 QOPIWYYACSNAKL-UHFFFAOYSA-N 387.352 1.472 5 40 GDBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@]1(O)CCSC1 72310435 AYZBPEQXSMHWPW-INIZCTEOSA-N 381.410 1.267 5 40 GDBB CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](Oc2ccccc2[N+](=O)[O-])OC[C@H]1OC(C)=O 253492952 RSBQRDKQQIICFV-LTIDMASMSA-N 397.336 1.125 5 40 GDBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251292 MKVXQDWCPOCXRP-UHFFFAOYSA-N 390.359 1.803 5 40 GDBB COC(=O)c1ccccc1N1C(=O)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]2C1=O 103611511 MMMQHJFAHMNBHD-GOEBONIOSA-N 395.327 1.674 5 40 GDBB CC(C)(C)NC(=O)CN1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 40105766 YCSJZFHFFUCQAD-UHFFFAOYSA-N 378.473 1.896 5 40 GDBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccnc1-n1cccn1 42055676 VSUKOPOQGBHXCW-CYBMUJFWSA-N 394.391 1.610 5 40 GDBB CC1=NN(C(=O)c2ccn(Cn3nc(C)c([N+](=O)[O-])c3C)n2)[C@@](O)(C(F)F)C1 17081231 HUIJOFCDHZUGET-HNNXBMFYSA-N 397.342 1.286 5 40 GDBB NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 4338266 WACXECHHIGCQEV-UHFFFAOYSA-N 394.322 1.922 5 40 GDBB COc1ccc([N+](=O)[O-])cc1COC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 36773482 UQMZAZFEVSJSDQ-QGZVFWFLSA-N 377.353 1.367 5 40 GDBB CSc1ccc([N+](=O)[O-])c(C(=O)N2CCSC[C@H]2S(C)(=O)=O)c1 79096375 SYIXEUMGHUMEAH-GFCCVEGCSA-N 376.481 1.876 5 40 GDBB CC(C)C[C@@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 3360433 WVPZOVTWNUBXMQ-LLVKDONJSA-N 386.792 1.813 5 40 GDBB CCCc1nn(C)c(C(=O)Nc2ccc(CS(=O)(=O)NC)cc2)c1[N+](=O)[O-] 17197635 BRFYSWBMFOTCNC-UHFFFAOYSA-N 395.441 1.582 5 40 GDBB O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@]2(F)CN(CC3CC3)C(=O)[C@]2(F)C1 306143963 YRYZGKGXKUQIMC-QZTJIDSGSA-N 379.363 1.648 5 40 GDBB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c1 32940010 KTMRNEFVHULUHK-UHFFFAOYSA-N 385.379 1.099 5 40 GDBB CC(=O)c1ccccc1OCCOc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 12731828 KDVJXCFODWXGRO-UHFFFAOYSA-N 380.378 1.903 5 40 GDBB COCCCn1c(=N)c(C(=O)NCC(C)C)cc2c(=O)n3cccc(C)c3nc21 101113780 ZKTXRMNKMFIECQ-UHFFFAOYSA-N 397.479 1.859 5 40 GDBB O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575423062 XUEYLFHHFKKDEY-ROUUACIJSA-N 376.434 1.755 5 40 GDBB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 20095125 RFBWTITZNPIGCW-UHFFFAOYSA-N 384.300 1.969 5 40 GDBB O=C1Cc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3NCCO)ccc2N1 22990062 XCDKNVGJIWCPIB-UHFFFAOYSA-N 392.393 1.294 5 40 GDBB CCOC(=O)N1CCC(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 24469598 HCWKCOJUEGVZLM-UHFFFAOYSA-N 381.385 1.963 5 40 GDBB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2C=CC=NN12 103562584 MXRXMPOFPWKSLI-FPCVCCKLSA-N 396.403 1.924 5 40 GDBB O=[N+]([O-])c1ccc(SC(=S)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 3149079 CNPDKCXMKZVVPE-SSDOTTSWSA-N 377.425 1.657 5 40 GDBB CNC(=O)[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 24969421 KSTDBZQTYLUMRB-QGZVFWFLSA-N 384.392 1.571 5 40 GDBB CN(C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 16186706 VUHKJDQDEVLHDA-SECBINFHSA-N 391.452 1.999 5 40 GDBB Nc1nc(NCCN2CCOCC2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] 20265791 SOUIQJFRBKOBGE-UHFFFAOYSA-N 377.380 1.594 5 40 GDBB O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1cccc([N+](=O)[O-])c1 6946283 MHECOYVVDHYFOV-UHFFFAOYSA-N 382.332 1.487 5 40 GDBB CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 27914655 HURJIFFKECIKPR-UHFFFAOYSA-N 390.421 1.606 5 40 GDBB O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2 100846227 RJKPZJOBQKDYHJ-WBVHZDCISA-N 395.327 1.659 5 40 GDBB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 12921280 JBYSRFWDSRLQOE-CYBMUJFWSA-N 381.348 1.745 5 40 GDBB O=C(c1n[nH]c([N+](=O)[O-])c1Br)N1CCN(Cc2ccco2)CC1 6448421 KXDPLTJFSDSAQT-UHFFFAOYSA-N 384.190 1.631 5 40 GDBB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 7982453 DSWHOKAUZCNXSC-FPYGCLRLSA-N 382.332 1.960 5 40 GDBB O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12738719 YMNQTTUJNJRFRT-UHFFFAOYSA-N 393.407 1.597 5 40 GDBB C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 95351111 SMLGPZQDMGHGKS-NSHDSACASA-N 378.410 1.532 5 40 GDBB Cc1c(NC(=O)COc2cccnc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C 6832115 NGVQWMPOYVDKTH-UHFFFAOYSA-N 383.364 1.805 5 40 GDBB O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 18077238 VOUQPZFVADSMGM-UHFFFAOYSA-N 382.376 1.852 5 40 GDBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1S(=O)(=O)N1CCOCC1 9127688 RIFOOSMXVQQMSE-UHFFFAOYSA-N 395.393 1.769 5 40 GDBB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286299 BUAYFXJYHKCONJ-MRXNPFEDSA-N 390.396 1.098 5 40 GDBB COC(=O)c1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 4434282 WHLRXWFOVOHFDL-UHFFFAOYSA-N 383.316 1.616 5 40 GDBB CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2O1 8748757 FSIPNMZIMDCCDD-CQSZACIVSA-N 377.378 1.297 5 40 GDBB CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 40050133 QLIKLOSMXUUROD-GFCCVEGCSA-N 395.441 1.608 5 40 GDBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccc2c(c1)OCCO2 6085439 MTHQQDXJKUEQOY-UHFFFAOYSA-N 382.332 1.715 5 40 GDBB COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N 2221049 PHPSGDPVFRELMH-UHFFFAOYSA-N 375.388 1.667 5 40 GDBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)nc1 84798576 VLNSXFBQAKJHFJ-UHFFFAOYSA-N 385.380 1.524 5 40 GDBB CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1=O 13027344 IEBOGUBVMLBRPZ-UHFFFAOYSA-N 398.759 1.060 5 40 GDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1S(N)(=O)=O 40155199 GERBZLGVNPPGTO-UHFFFAOYSA-N 387.395 1.052 5 40 GDBB CCN1CCN(C(=O)[C@@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 32860283 QBHHRYQVVVWYCO-GFCCVEGCSA-N 393.396 1.075 5 40 GDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12813998 RDJUEXIOPZZNKR-LBPRGKRZSA-N 394.409 1.007 5 40 GDBB O=C(CN1N=N[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21)Nc1ccccc1 100961256 LENHWVPSCFLGTD-HZPDHXFCSA-N 394.347 1.527 5 40 GDBB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 12920648 NPKATOWTKJSAGQ-ZDUSSCGKSA-N 398.419 1.683 5 40 GDBB O=C(C1CC1)N1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 14667427 BKEGPHLIOREVRY-UHFFFAOYSA-N 386.452 1.892 5 40 GDBB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 33892657 WLQFISPYPOHSQN-YTBGYOSVSA-N 394.380 1.930 5 40 GDBB Cc1cc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])on1 48367254 ILIRSQTVZFZYCD-UHFFFAOYSA-N 382.398 1.524 5 40 GDBB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 20104647 VBMBOHGNVRJSDT-UHFFFAOYSA-N 381.385 1.816 5 40 GDBB CC(=O)N1c2ccc(C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)cc2C[C@H]1C 24830454 KERQCGLCHRSFQT-SNVBAGLBSA-N 398.375 1.036 5 40 GDBB COc1cc(C(=O)OCC(=O)NC(=O)NCC(C)C)c([N+](=O)[O-])cc1OC 3498264 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CCc1c(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cnn1-c1ccc([N+](=O)[O-])cc1 32977357 MCJDWGLKZOWCPY-CQSZACIVSA-N 392.437 1.602 5 40 GDBB CC(C)(C)OC(=O)N1CCN(c2cc([N+](=O)[O-])ccc2C=O)C[C@H]1C(=O)O 95080813 ZCPVDVCLFCENLG-AWEZNQCLSA-N 379.369 1.918 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2CN[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 9328954 WHNKKZPZINDTMQ-SLSDUTBNSA-N 392.371 1.460 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4269793 QOHLVTLPOCXGIL-COPLHBTASA-N 391.302 1.721 5 40 GDBB O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCC(=O)N1CCCCC1 3370598 KYPCEIGHBHUFSP-UHFFFAOYSA-N 383.788 1.534 5 40 GDBB COCCN(Cc1ccco1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 25095842 DPEGVCWGOYTVPV-UHFFFAOYSA-N 389.364 1.588 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)NC(=O)N[C@@H]1C 9670315 WTBDDVGVUXJHCV-SECBINFHSA-N 393.352 1.279 5 40 GDBB Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4680785 AJUNYWXUKWLEKL-UHFFFAOYSA-N 377.422 1.920 5 40 GDBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2ccccc2c(=O)n1CC(N)=O 16694987 YTBKZESIOXIKEF-ZDUSSCGKSA-N 395.419 1.983 5 40 GDBB Cn1ccnc1Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9493336 VDHLXFOUEZJDJM-UHFFFAOYSA-N 384.439 1.500 5 40 GDBB COc1cc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)cc([N+](=O)[O-])c1 8396885 GDQMVXZQFJQOQH-UHFFFAOYSA-N 380.273 1.563 5 40 GDBB CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)c2c([nH]c(=O)[nH]c2=O)N1 5444599 DNMQIMGYFNWYGZ-ZDUSSCGKSA-N 386.364 1.754 5 40 GDBB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 71980037 IOOIVMHHAAFFTG-ZDUSSCGKSA-N 383.788 1.596 5 40 GDBB COC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCOCCOCCOCCO2 5552377 MVWCEQYUVCEJIA-UHFFFAOYSA-N 386.357 1.594 5 40 GDBB O=C(NCc1cccnc1-n1cncn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 40108957 FTRCTTICNPODQJ-UHFFFAOYSA-N 390.363 1.686 5 40 GDBB Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(C)c1S(=O)(=O)N1CCOCC1 7025353 HLCXCMPOWOCHSP-UHFFFAOYSA-N 380.426 1.477 5 40 GDBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccn2)CC1 8191599 CXIKBSPAJYOTST-UHFFFAOYSA-N 397.435 1.789 5 40 GDBB O=[N+]([O-])c1ccn(Cc2nc3c4cnn(-c5ccc(F)cc5)c4ncn3n2)n1 13644975 OTAIRAZBNYJKSS-UHFFFAOYSA-N 379.315 1.755 5 40 GDBB C[C@@H](C(=O)N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57362854 CVPIDXVZAVMDKL-HNNXBMFYSA-N 399.451 1.512 5 40 GDBB O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 29666884 RXUYPQFZJCHCGA-UHFFFAOYSA-N 389.389 1.983 5 40 GDBB O=C(O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224754142 NTINQQPDADIUSA-UHFFFAOYSA-N 394.361 1.646 5 40 GDBB CC(C)N1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N=C1O 230034084 GPRADSQSOITUAC-KSSFIOAISA-N 388.380 1.034 5 40 GDBB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 13636632 FWCMNEXYOXBNFP-HNNXBMFYSA-N 375.381 1.502 5 40 GDBB COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccccc1)S(=O)(=O)Oc1ccccc1 3015351 FYZAEUGEUAZUOX-CVEARBPZSA-N 379.390 1.997 5 40 GDBB CCn1nc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c1C 72295580 BXLLJYNYQPJBKV-UHFFFAOYSA-N 383.430 1.633 5 40 GDBB CNS(=O)(=O)c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1C 32501931 OUVMZGOZMVHURC-UHFFFAOYSA-N 379.394 1.829 5 40 GDBB O=C([C@@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1)N1CCOCC1 12945185 ZYEVEPLBKSPZSQ-CYBMUJFWSA-N 390.396 1.031 5 40 GDBB COc1cc(CCNC(=O)NCCNC(=O)C(C)C)c([N+](=O)[O-])cc1OC 12984850 YQAQTWMZLBURLM-UHFFFAOYSA-N 382.417 1.226 5 40 GDBB C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(CCC(N)=O)n(C)c1=S 40091178 NCRMZYAREYWGQW-SNVBAGLBSA-N 376.442 1.686 5 40 GDBB CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 4090233 ULCFLMRJJZSUDF-NNFUDEMPSA-N 393.392 1.761 5 40 GDBB CC(C)[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCCS1(=O)=O 84409263 NHZFOUZXJOQRST-HNNXBMFYSA-N 384.458 1.183 5 40 GDBB CCOC(=O)[C@H](C(C)=O)[C@@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 16682152 YWBXMFOWWKWTGV-XHSDSOJGSA-N 395.433 1.886 5 40 GDBB O=C(C1=NN[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1ccc([N+](=O)[O-])cc1 18061646 FXQVBGFDZSRHIO-ZBFHGGJFSA-N 378.344 1.291 5 40 GDBB O=C1S/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1CN1CCOCC1 408718478 QHJGNYOEOUJQRI-MKMNVTDBSA-N 393.377 1.650 5 40 GDBB O=C1CCCN1CCCNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 8147039 ZWTCCMDIKSTINU-UHFFFAOYSA-N 396.469 1.804 5 40 GDBB C[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 3530506 QHZXXQNOIOFUBX-NSHDSACASA-N 397.343 1.761 5 40 GDBB O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 17200676 LDBBULCJKHXLFB-UHFFFAOYSA-N 389.389 1.744 5 40 GDBB O=C(NCCNC(=O)c1cccc([N+](=O)[O-])c1O)c1cccc([N+](=O)[O-])c1O 1727262 MXZRKLWNRKMCGZ-UHFFFAOYSA-N 390.308 1.074 5 40 GDBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100285940 MOEYYLKQHAXOSV-UZUXZZKPSA-N 381.388 1.975 5 40 GDBB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CS2 6911722 CKFJBNPREGTYKB-MAUKXSAKSA-N 390.465 1.697 5 40 GDBB Cc1nn(C)c(N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 95353027 QDJJPSBMJKDTNH-HNNXBMFYSA-N 392.847 1.639 5 40 GDBB O=C1CCCN1CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 33012194 XEKBSXNCHHWRJV-UHFFFAOYSA-N 396.469 1.804 5 40 GDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc2c(c1)OCCO2 4433825 SAVTWXJXOUEALP-UHFFFAOYSA-N 383.316 1.601 5 40 GDBB COc1ccc(NC(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 6924570 UOVFATZSQIENGZ-UHFFFAOYSA-N 384.352 1.904 5 40 GDBB O=[N+]([O-])c1ccc(CN(c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575420439 IDMLCYOKQGCTPL-DLBZAZTESA-N 378.406 1.465 5 40 GDBB C[C@@H]1CN(S(=O)(=O)CCNc2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C)O1 48286693 JAZCQRJVSQWHPJ-CHWSQXEVSA-N 394.453 1.994 5 40 GDBB CN(Cc1ccccc1)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 24974523 AAZXZRPSICIUDD-UHFFFAOYSA-N 392.437 1.703 5 40 GDBB Cc1nn(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1S(=O)(=O)N1CCCC1 16976207 SIBVWFIGKLPNQU-UHFFFAOYSA-N 378.410 1.881 5 40 GDBB CCOC(=O)c1nc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cs1 40154007 YNARCAPLBBJWRZ-UHFFFAOYSA-N 377.426 1.945 5 40 GDBB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 100843064 XISGFXBMIADESE-WBVHZDCISA-N 395.327 1.813 5 40 GDBB CN(C)C(=O)[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 24717543 RIBSQPQWFOEEQX-HNNXBMFYSA-N 396.469 1.436 5 40 GDBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)CN(C)S(=O)(=O)c1ccccc1 24926352 ZQVATHXAJAEETG-UHFFFAOYSA-N 377.422 1.874 5 40 GDBB O=C(c1ccncc1)N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 89884918 BSLGXYAEKXDXPE-UHFFFAOYSA-N 384.392 1.814 5 40 GDBB CCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(C)c([N+](=O)[O-])c1 71980193 BOJCMWVMELNTFQ-HNNXBMFYSA-N 377.397 1.641 5 40 GDBB CCn1cc(S(=O)(=O)N2CCC(c3nncn3C(C)C)CC2)c([N+](=O)[O-])n1 543912290 MQISNZHKTIHNKJ-UHFFFAOYSA-N 397.461 1.552 5 40 GDBB C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 23868193 QXRHRAHDKFNGLA-QMMMGPOBSA-N 398.297 1.929 5 40 GDBB Cc1nn(C)c(C)c1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 32895515 MJXQZXNJDSYYQR-UHFFFAOYSA-N 382.398 1.907 5 40 GDBB CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 95941916 FXPFRYZPJBWFEZ-UHFFFAOYSA-N 397.434 1.140 5 40 GDBB O=C(c1ccc([N+](=O)[O-])cc1)c1no[n+]([O-])c1C(=O)c1ccc([N+](=O)[O-])cc1 4900073 AMAPWVDLJAKJDT-UHFFFAOYSA-N 384.260 1.586 5 40 GDBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 5043753 NYXDTDIMEMICBL-UHFFFAOYSA-N 396.469 1.473 5 40 GDBB Nc1cccc2c1C(=O)N(C(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)C2=O 5659187 LQYWWOOPVLHBJW-UHFFFAOYSA-N 396.359 1.450 5 40 GDBB Cc1cc(N)nc(SCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 22090625 UIBIAJMAAZFLRE-UHFFFAOYSA-N 388.453 1.716 5 40 GDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccnc1N1CCOCC1 28042125 YKYRURCBIXQMJL-UHFFFAOYSA-N 378.410 1.305 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)NC(=O)NC1 12980451 CVKFUCJHUWPQTL-UHFFFAOYSA-N 383.744 1.535 5 40 GDBB COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225008111 PHAZNHMCKGAYTQ-UHFFFAOYSA-N 395.349 1.871 5 40 GDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 6653378 SYLHTTYREFAZSJ-UHFFFAOYSA-N 397.343 1.681 5 40 GDBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)o1 408591868 KWFDYHIBJYPAGR-KPKJPENVSA-N 387.304 1.841 5 40 GDBB Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C1CC1)[C@@H](C)CS(C)(=O)=O 84086278 LKASMPPLGBXXGA-LBPRGKRZSA-N 390.483 1.798 5 40 GDBB Cc1nn(C(F)F)cc1S(=O)(=O)NCCCn1cc(Cl)c([N+](=O)[O-])n1 36615143 VULZRXLTRRNMQG-UHFFFAOYSA-N 398.779 1.713 5 40 GDBB COC(=O)c1ccccc1N1C(=O)[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 103611516 MMMQHJFAHMNBHD-GDBMZVCRSA-N 395.327 1.674 5 40 GDBB CCOC(=O)c1sc2ncn3nc(Cn4ccc([N+](=O)[O-])n4)nc3c2c1C 2791011 FGILXHDAIYUGGS-UHFFFAOYSA-N 387.381 1.977 5 40 GDBB CN1CCN(C(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 409144171 NJMMSCFFFDVYRF-UHFFFAOYSA-N 376.442 1.256 5 40 GDBB Nc1nc(NCCN2CCOCC2)nc(Nc2ccccc2F)c1[N+](=O)[O-] 20326912 GYHUHACNNXJFHS-UHFFFAOYSA-N 377.380 1.594 5 40 GDBB Cc1nn(CC(=O)NCCNC(=O)c2ccccc2Cl)c(C)c1[N+](=O)[O-] 41397493 XZFHNGXJBSUGRQ-UHFFFAOYSA-N 379.804 1.608 5 40 GDBB O=C(COc1ncnc2cc([N+](=O)[O-])ccc12)NCc1ccc2c(c1)OCO2 3381794 YBBCEPSAVFBNDC-UHFFFAOYSA-N 382.332 1.962 5 40 GDBB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 11672962 FEWIZARYAYSELW-GFCCVEGCSA-N 398.437 1.802 5 40 GDBB O=C(O)CCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 4762958 QGLMPRVWXIXZDD-VBKFSLOCSA-N 383.360 1.957 5 40 GDBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102085757 VAEDPFZZMBPTFT-GHNUZZEDSA-N 381.388 1.975 5 40 GDBB O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)N1CCOCC1 1313860 VHSAXQFFVLGANR-UHFFFAOYSA-N 394.387 1.831 5 40 GDBB Nc1nc(N2CCCC2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 57456713 HZHDEWBGCFJWLT-UHFFFAOYSA-N 383.456 1.889 5 40 GDBB CCOC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9403346 LBJOIZNTSHPBJU-UHFFFAOYSA-N 390.439 1.271 5 40 GDBB CC(=O)Oc1ccc(N2C(=O)[C@H]3C(c4cccc([N+](=O)[O-])c4)=NO[C@H]3C2=O)cc1 101593131 MFUYJJOIVFQJKJ-DOTOQJQBSA-N 395.327 1.813 5 40 GDBB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 100537944 YXWCTSYOWYFRBL-MWDDYTRKSA-N 386.360 1.352 5 40 GDBB NC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCC2 9442642 IGFLHLZLHHSBRP-UHFFFAOYSA-N 379.350 1.632 5 40 GDBB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 198709622 GHKRJVPOBCTFMV-WDQYXFPCSA-N 375.768 1.994 5 40 GDBB CNc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1[N+](=O)[O-] 47672165 JXBRWPXFPKIIMR-UHFFFAOYSA-N 384.440 1.713 5 40 GDBB COc1cc(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1OC 13062674 RNEKWZFDXBDCEM-PHIMTYICSA-N 382.369 1.405 5 40 GDBB O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 1610325 CIPVZQNFTVGHKO-MRXNPFEDSA-N 397.343 1.777 5 40 GDBB C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)O 3887230 WMZQULZISBOLFC-VIFPVBQESA-N 376.412 1.181 5 40 GDBB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 4893209 BOVYJQNKCDATSF-KBPBESRZSA-N 394.380 1.691 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 48605006 BGAJKSRJXKAIMG-UHFFFAOYSA-N 378.429 1.967 5 40 GDBB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5660139 QFTDEPRNNBJCRR-UHFFFAOYSA-N 392.412 1.976 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)NC(=O)N[C@@H]1C 5938810 XBTHSLKWTOFSHX-MRVPVSSYSA-N 397.771 1.924 5 40 GDBB O=C(Nc1ccc(C(=O)Nn2cnnc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 14405684 FQOQUPDANUWNJY-UHFFFAOYSA-N 397.307 1.731 5 40 GDBB O=c1oc(-c2ccc(F)cc2)nn1C[C@H](O)COc1cccc([N+](=O)[O-])c1 12788937 YIWULSCGJRABHV-AWEZNQCLSA-N 375.312 1.991 5 40 GDBB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])s1 12998535 YJMCLZCSFUBDQP-UHFFFAOYSA-N 397.434 1.930 5 40 GDBB CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(C[C@H]2CCCO2)c1=N 16742597 ZIGGKEXWYHUIBH-CYBMUJFWSA-N 381.436 1.366 5 40 GDBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](CC(C)C)NC(N)=O 12531764 XDXPHOJVOKHWIE-GFCCVEGCSA-N 382.373 1.168 5 40 GDBB O=C(NCCNc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1n[nH]c2ccccc12 58218931 PKQIMFHFGHBYGY-UHFFFAOYSA-N 393.363 1.321 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1ccc2c(c1)OCO2 225080623 QEQCOZZFPWZKFJ-UHFFFAOYSA-N 394.361 1.912 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)NC(=O)N[C@H]1C 5938811 XBTHSLKWTOFSHX-QMMMGPOBSA-N 397.771 1.924 5 40 GDBB CCn1cc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)n1 20614094 YEPJHJGFZRTESI-UHFFFAOYSA-N 393.469 1.626 5 40 GDBB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 102086202 MHXQWBOBHWHORV-GBALJZQLSA-N 381.388 1.977 5 40 GDBB CCOC(=O)COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OC 409339933 MXIVAQNBZJJDED-FNORWQNLSA-N 391.336 1.917 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N[C@@]1(O)C(F)(F)F 106213387 VXPATSMURSPXPK-KWBADKCTSA-N 377.275 1.379 5 40 GDBB COc1cccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 30691594 FQRRFWSFJQKYLH-UHFFFAOYSA-N 385.376 1.907 5 40 GDBB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6545544 HEHWHUBGOQBTFP-UHFFFAOYSA-N 379.394 1.863 5 40 GDBB Cc1nn(C)c(C)c1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 24925369 KSKKTRZUQJOBLH-UHFFFAOYSA-N 395.441 1.191 5 40 GDBB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 3313965 MQXAEAOYLTZRNL-UHFFFAOYSA-N 386.295 1.766 5 40 GDBB COc1ccc(OC)c2c1CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]2O 30588762 RYJLKLWQJPSMAH-HNNXBMFYSA-N 387.392 1.760 5 40 GDBB Cc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C 9571108 QDZUEHOMIVJKPL-UHFFFAOYSA-N 388.409 1.666 5 40 GDBB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 101008099 MFUYJJOIVFQJKJ-WBVHZDCISA-N 395.327 1.813 5 40 GDBB COc1ccc(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] 29025254 ZGCSBERGSAOAND-UHFFFAOYSA-N 390.440 1.374 5 40 GDBB CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(C)C(=O)N=C3O)[C@@H]2C1 36319061 OFMVHXRWZWKHGH-KBXCAEBGSA-N 387.396 1.196 5 40 GDBB CS(=O)(=O)NCCC(=O)OCc1cc(=O)oc2ccc3ccccc3c12 46001836 LXTUUYIBMQBHSG-UHFFFAOYSA-N 375.402 1.929 5 40 GDBB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3C)C2=O)C1 250664989 HQKBEVXARWHRKB-CJNGLKHVSA-N 389.408 1.810 5 40 GDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CC[C@@H](C(F)(F)F)[C@H](CN)C3)cc21 600951593 FVGJOVQNKNCVFM-NXEZZACHSA-N 387.362 1.749 5 40 GDBB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 32674504 AJZQBEYYZSBISK-LLVKDONJSA-N 392.389 1.802 5 40 GDBB CCOC(=O)N1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccccc3)n2)CC1 41154180 GWCUWCADUJSIPG-UHFFFAOYSA-N 387.400 1.989 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 79064020 JVLCJQZBIXVRBS-OLZOCXBDSA-N 384.458 1.691 5 40 GDBB CNC(=O)c1ccc(N2CCCC[C@@H]2C(=O)N2CCOCC2)c([N+](=O)[O-])c1 72310976 RMVOBNLZRXXOBN-OAHLLOKOSA-N 376.413 1.172 5 40 GDBB CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC[C@@H]1CCCO1 20051744 FMDLUHIGHRWGMK-ZDUSSCGKSA-N 381.436 1.892 5 40 GDBB CCOC(=O)C1=C(C)NC(N)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 4786228 LBWSMVLNXYOLIR-CQSZACIVSA-N 375.381 1.852 5 40 GDBB Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(N2CCOCC2)c1[N+](=O)[O-] 20292250 MKLISSWTXHIHER-UHFFFAOYSA-N 399.455 1.126 5 40 GDBB C[C@@H]1CCCN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 4889941 JNSVSWBYKWJGMA-CQSZACIVSA-N 391.424 1.847 5 40 GDBB CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOCC)c1=N 100628057 KKKIODRRUWBFJE-UHFFFAOYSA-N 383.452 1.613 5 40 GDBB COc1ccc(S(=O)(=O)Nc2cc(C(N)=O)c(F)cc2F)c([N+](=O)[O-])c1 32085575 KMDKWJYUBWZWKD-UHFFFAOYSA-N 387.320 1.781 5 40 GDBB CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc([N+](=O)[O-])cc1 862095 ZRAQUXSRDOIXGX-UHFFFAOYSA-N 377.426 1.824 5 40 GDBB Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c(C)c1[N+](=O)[O-] 9507232 DFOPZARMJMDVNM-UHFFFAOYSA-N 395.441 1.734 5 40 GDBB COCCn1c(C)cc(C(=O)COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1C 3414342 OSIKIBGLBLMTTJ-UHFFFAOYSA-N 392.412 1.899 5 40 GDBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1COc2ccccc2O1 6260941 LNCWRDJMSPYZJN-HNNXBMFYSA-N 385.376 1.671 5 40 GDBB CCOC(=O)[C@H]1CS[C@@H](CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(=O)N1 9939419 REVGYVPDKZMZFJ-YPMHNXCESA-N 381.410 1.395 5 40 GDBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C(F)(F)F)n1N 36640272 VFKCAZULGPMVAX-UHFFFAOYSA-N 392.319 1.658 5 40 GDBB O=C(Cn1cnc2ccccc2c1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3428079 VMBUFYDYISOBMA-UHFFFAOYSA-N 397.343 1.915 5 40 GDBB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 25494371 TZWBXEUVZLXONZ-JTQLQIEISA-N 392.441 1.804 5 40 GDBB O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9466299 HVRKJGILRDIOMG-MRXNPFEDSA-N 386.364 1.047 5 40 GDBB N=C(NC1=N[C@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1)Nc1ccccc1 20635256 QEFZCEZCZGTURK-CYBMUJFWSA-N 395.379 1.414 5 40 GDBB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 20245241 DKDKYSKFOACGFR-UHFFFAOYSA-N 396.400 1.985 5 40 GDBB CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 950594 VGNSPKSEXFXHFO-HNNXBMFYSA-N 378.352 1.904 5 40 GDBB Cc1cc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)no1 48300276 OCBBBOSGOYJUAX-UHFFFAOYSA-N 394.409 1.474 5 40 GDBB O=[N+]([O-])c1ccc(N2N=N[C@H](CN3CCOCC3)[C@H]2N2CCOCC2)cc1 31771886 VBJOJOJOHCKBLS-SJORKVTESA-N 376.417 1.141 5 40 GDBB COC(=O)c1ccccc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 6935937 DLVOXHDCUHQSDU-UHFFFAOYSA-N 382.332 1.730 5 40 GDBB O=[N+]([O-])c1ccc(N2CCN(CCCc3nnnn3-c3ccccc3)CC2)cn1 40153469 UCHQYMPMTYKDRB-UHFFFAOYSA-N 394.439 1.720 5 40 GDBB Cc1cc(N2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)n2ncnc2n1 30587596 STHFBRDLYVDBIX-UHFFFAOYSA-N 385.413 1.377 5 40 GDBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(N)=O)n1C 409127160 GZZGUHKIHGJSPW-ZDUSSCGKSA-N 392.441 1.428 5 40 GDBB COC(=O)CSc1cc([N+](=O)[O-])c(C(=O)N2CCOCC2)c([N+](=O)[O-])c1 3671640 TUBCXTCIZCJIIL-UHFFFAOYSA-N 385.354 1.241 5 40 GDBB COc1ccc(OCCNC(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 40015825 RVURMWMTYXCRIX-UHFFFAOYSA-N 387.392 1.837 5 40 GDBB C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)NC1CC1 14247486 LRBSOYVKQPLWBK-JTQLQIEISA-N 377.353 1.493 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2ccc(C)c([N+](=O)[O-])c2)NC(=O)N[C@@H]1C 23080071 ACBQUXNDERUTBD-SNVBAGLBSA-N 377.353 1.579 5 40 GDBB Cc1ccc(OCc2nn3c(CN4CCOCC4)nnc3s2)c([N+](=O)[O-])c1 71260511 FMWIPIKQKWVADE-UHFFFAOYSA-N 390.425 1.814 5 40 GDBB Cc1cc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)ccc1[N+](=O)[O-] 24781641 JTRVPKJRHJCBRL-UHFFFAOYSA-N 393.407 1.841 5 40 GDBB NC(=O)[C@@H]1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 33010886 ILTDQYJTWSHXJC-HNNXBMFYSA-N 390.421 1.850 5 40 GDBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCC(C(N)=O)(N2CCCCC2)CC1 225245870 POGSFMLCMRUQNV-UHFFFAOYSA-N 375.433 1.142 5 40 GDBB COC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C(=O)[C@H]12 4474667 IHDJIERXLABMQW-LIRRHRJNSA-N 394.343 1.112 5 40 GDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 4583360 BAGJRXWIYCQIMV-UHFFFAOYSA-N 398.423 1.184 5 40 GDBB O=C(COn1nnc2ccc([N+](=O)[O-])cc21)Nc1ccc(Br)cn1 1063324 DGSLTZSMRUBNCX-UHFFFAOYSA-N 393.157 1.564 5 40 GDBB CC(=O)N1c2ccc(C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)cc2C[C@@H]1C 24830457 KERQCGLCHRSFQT-JTQLQIEISA-N 398.375 1.036 5 40 GDBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102085753 VAEDPFZZMBPTFT-AJDFSKMUSA-N 381.388 1.975 5 40 GDBB Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] 24712390 WTNSVQVZVNLPQG-GFCCVEGCSA-N 375.834 1.798 5 40 GDBB C[C@H]1CN(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 12553726 KODNLFCTZAPHMT-KBPBESRZSA-N 384.458 1.071 5 40 GDBB CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2O1 8748754 FSIPNMZIMDCCDD-AWEZNQCLSA-N 377.378 1.297 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CNCC(F)(F)F 58315809 HTQZPPOKBHMJFS-MRVPVSSYSA-N 379.291 1.626 5 40 GDBB Cc1noc(C)c1S(=O)(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 52128049 ZPNIMCQTFMXAOU-UHFFFAOYSA-N 394.453 1.749 5 40 GDBB O=C(Cn1cc(Br)ccc1=O)NCCNc1ccc([N+](=O)[O-])cc1 58088389 CMIUIHXBTJHOLB-UHFFFAOYSA-N 395.213 1.747 5 40 GDBB CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222530540 RBMRSMMUDPWGTC-MRXNPFEDSA-N 398.485 1.350 5 40 GDBB O=[N+]([O-])c1ccc(CN(c2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575420440 IDMLCYOKQGCTPL-IAGOWNOFSA-N 378.406 1.465 5 40 GDBB NC(=O)NC[C@@H]1CCCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 84350800 OCIWSYAIKZBRNB-VIFPVBQESA-N 392.384 1.618 5 40 GDBB CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N(C)C1=S 4624008 KNBWYGXPEORLPI-CQSZACIVSA-N 388.449 1.712 5 40 GDBB CCSc1nnc(NC(=O)COn2nnc3ccc([N+](=O)[O-])cc32)s1 15218998 BYDATDBFNKKZCI-UHFFFAOYSA-N 381.399 1.370 5 40 GDBB Cc1cc([N+](=O)[O-])nn1CCCNS(=O)(=O)c1cnn(C(F)F)c1C 36614581 YIJVOQFMARLOKE-UHFFFAOYSA-N 378.361 1.368 5 40 GDBB COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 16085930 NCBJEVDOILSEOV-UHFFFAOYSA-N 380.378 1.853 5 40 GDBB C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100555728 GBVRGGHOJXRVAO-ZMPPFODHSA-N 398.371 1.516 5 40 GDBB COc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1S(N)(=O)=O 14139223 NRJKXVRPFCKDHG-UHFFFAOYSA-N 381.366 1.268 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 24751089 SSPLJCIIDIJQDN-LBPRGKRZSA-N 394.409 1.007 5 40 GDBB COc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c([N+](=O)[O-])c1 9284540 RMTNHNZQNFTBGI-UHFFFAOYSA-N 390.352 1.275 5 40 GDBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)c2c([nH]c(=O)[nH]c2=O)N1 3206468 DNMQIMGYFNWYGZ-CYBMUJFWSA-N 386.364 1.754 5 40 GDBB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 4515905 YUNMJBPFKPTAGQ-RISCZKNCSA-N 387.396 1.709 5 40 GDBB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 5633402 FFMHPCVRSPXGHV-UHFFFAOYSA-N 391.405 1.868 5 40 GDBB O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1C(=O)C(=O)N(c2ccccc2[N+](=O)[O-])C1=O 5663397 RHDUCMLLFDTMJX-CYBMUJFWSA-N 398.287 1.200 5 40 GDBB O=C(NCCn1ncc2c(=O)n(Cc3ccc([N+](=O)[O-])cc3)cnc21)C1CC1 12071943 FWBCNVJARDSUKN-UHFFFAOYSA-N 382.380 1.076 5 40 GDBB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)n1 70655919 RSPGOIRMPCUISH-UHFFFAOYSA-N 386.343 1.732 5 40 GDBB CC1CCN(S(=O)(=O)c2ccc(NCCn3cncn3)c([N+](=O)[O-])c2)CC1 32911808 KAECESXNLHFVPL-UHFFFAOYSA-N 394.457 1.719 5 40 GDBB CCOC(=O)[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 12905356 LDGKRGVFOOGREJ-CQSZACIVSA-N 377.397 1.516 5 40 GDBB COc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc([N+](=O)[O-])c2)CN=3)cc1 13799125 FLNDTRMBMUYMHG-MFOYZWKCSA-N 396.428 1.710 5 40 GDBB C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 14924066 JRJXLLKFSDBQAF-ZDUSSCGKSA-N 377.445 1.730 5 40 GDBB CCOC(=O)C1(O)CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 72308414 VZXXIYUMWUCQHU-LLVKDONJSA-N 399.831 1.965 5 40 GDBB CCn1cc(S(=O)(=O)NCCCn2cc(Cl)c([N+](=O)[O-])n2)c(C)n1 36615049 QITWLKCLSUPJDF-UHFFFAOYSA-N 376.826 1.338 5 40 GDBB O=C(Cn1cnc2ccccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 40074529 NHTRGIRNXRLQHW-UHFFFAOYSA-N 394.391 1.049 5 40 GDBB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 58196246 CQOJRRFKIAGPDV-SNVBAGLBSA-N 378.403 1.403 5 40 GDBB CCOC(=O)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 59386990 ZGJVIINHBQIWEN-UHFFFAOYSA-N 381.326 1.712 5 40 GDBB Cc1ocnc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 89556285 QUGGONZLMKXDDJ-UHFFFAOYSA-N 382.398 1.524 5 40 GDBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccccc2)CC1 5392584 UUBNEUIRSBXJFJ-UHFFFAOYSA-N 389.433 1.670 5 40 GDBB NS(=O)(=O)c1ccc(N2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 5930469 TWQIDYJRCDUPPB-UHFFFAOYSA-N 378.410 1.274 5 40 GDBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)NC1CCCC1 12734275 ARQAUQFRSNZNJU-VXGBXAGGSA-N 377.397 1.704 5 40 GDBB COC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc2c1CC[C@H](C)C2 2092662 MLOCEOZOCMJPTA-QMMMGPOBSA-N 379.398 1.798 5 40 GDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 4008900 MQZSVWVJONYPDK-LZDSYCOUSA-N 384.344 1.128 5 40 GDBB C[C@@H]1CCCCN1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4889826 SWBMQIVVWFJGFN-CQSZACIVSA-N 391.424 1.989 5 40 GDBB O=[N+]([O-])c1ccc(NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 18247491 DZYIAAZJLJQGGI-UHFFFAOYSA-N 392.437 1.665 5 40 GDBB C[C@@H]1CCCCN1C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 28805535 KADYCJSVLOYHOR-LLVKDONJSA-N 395.437 1.730 5 40 GDBB O=C(CN1CCCC1=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 32904509 MKOKMSSJYFMLQP-UHFFFAOYSA-N 383.408 1.414 5 40 GDBB O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 1547211717 MEOSWBBUBMCEOH-YPMHNXCESA-N 383.360 1.745 5 40 GDBB biogenic O=C(c1cc(N2CCOCC2)ccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2 24997215 APIJNPZOERCGFH-UHFFFAOYSA-N 377.397 1.411 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 9493721 GOWVVKUJSJKDLT-UHFFFAOYSA-N 399.450 1.072 5 40 GDBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(N2CCOCC2)CCSC1 29348011 XTZHZCQWXLNPFR-GOSISDBHSA-N 394.497 1.599 5 40 GDBB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cc([N+](=O)[O-])ccc1F 69585925 MJJTUQQZOCVEKE-WBMJQRKESA-N 382.392 1.593 5 40 GDBB CC(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 34854045 QNUFVMLWWBQRBW-UHFFFAOYSA-N 385.218 1.460 5 40 GDBB O=C1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(N3CCCC3)[nH]c2=O)N1 19961182 WECXKDQFKFWWTG-GFCCVEGCSA-N 398.379 1.343 5 40 GDBB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccc([N+](=O)[O-])cc1 841950 JTGMNXZGFYQMLD-UHFFFAOYSA-N 380.158 1.142 5 40 GDBB biogenic O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3324729 GLAVIYWTYHQBHW-UHFFFAOYSA-N 397.343 1.984 5 40 GDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)c1C 12982898 QGVPIHVPVBODHE-INIZCTEOSA-N 385.486 1.847 5 40 GDBB CCOC(=O)C[C@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 96008944 ZNQOKTZVPXROTO-AWEZNQCLSA-N 394.833 1.539 5 40 GDBB CCc1nnc(NC(=O)c2ccc(Sc3nnnn3C)c([N+](=O)[O-])c2)s1 3428195 DMWFYTZBXYEGEN-UHFFFAOYSA-N 392.426 1.936 5 40 GDBB Cc1cc(CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])no1 32814796 NAXBYZDAXZEIBN-UHFFFAOYSA-N 396.425 1.549 5 40 GDBB Nc1nc(NCCCN2CCOCC2)nc(NCc2ccco2)c1[N+](=O)[O-] 20228288 PHDOIYXWHLQRJA-UHFFFAOYSA-N 377.405 1.306 5 40 GDBB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 4592802 TWJKYCDAQQTRKJ-OGRXGRENSA-N 386.360 1.352 5 40 GDBB COc1cccc(-n2ccc3nc4ccn(-c5ncn[nH]5)c(=O)c4cc3c2=O)c1 40372894 LMHSNCAKVYRWKP-UHFFFAOYSA-N 386.371 1.817 5 40 GDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCN(c2ncccn2)CC1 56058957 BTLNNOAEKLXPRI-UHFFFAOYSA-N 377.426 1.641 5 40 GDBB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5207233 RFNCYFMLXNRIPM-GFCCVEGCSA-N 385.442 1.673 5 40 GDBB O=C(c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncccn2)CC1 72328757 HRGPAEQGHDLJMF-UHFFFAOYSA-N 379.380 1.737 5 40 GDBB O=C(c1cc(-c2ccco2)[nH]n1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 888089295 UAWIWJQOEZCGQI-NEPJUHHUSA-N 395.375 1.999 5 40 GDBB COc1ccccc1Nc1nc(NCCN2CCOCC2)nc(N)c1[N+](=O)[O-] 20332579 BXVJDXHMZDBOAD-UHFFFAOYSA-N 389.416 1.463 5 40 GDBB C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 95351112 SMLGPZQDMGHGKS-LLVKDONJSA-N 378.410 1.532 5 40 GDBB CNc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1[N+](=O)[O-] 9509407 BPKYAUQVVRLLJG-UHFFFAOYSA-N 382.398 1.166 5 40 GDBB N=C(N)NCCC[C@H](NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O 17193660 LXYUWETVIGQKDY-INIZCTEOSA-N 381.436 1.432 5 40 GDBB O=[N+]([O-])c1c(N2CCOCC2)cc(N2CCOCC2)cc1N1CCOCC1 66088729 ABQHGWDTJWMTCD-UHFFFAOYSA-N 378.429 1.105 5 40 GDBB CCN1CCN([C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)CC1 89977304 PAVTXAZYQXOSTB-HNNXBMFYSA-N 377.445 1.847 5 40 GDBB CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c([N+](=O)[O-])c1 101074716 SQSUJJVMHZJRAY-SGMGOOAPSA-N 379.438 1.739 5 40 GDBB Cc1nn(CN2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1[N+](=O)[O-] 23425369 BQYSOLIHSDKXGX-UHFFFAOYSA-N 385.471 1.434 5 40 GDBB O=C(NCC(O)CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 1700512 LOIURCCQAZYQQP-UHFFFAOYSA-N 388.336 1.024 5 40 GDBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)C2)cc1[N+](=O)[O-] 4474132 YJLNAUJGWGPKHA-UHFFFAOYSA-N 396.469 1.180 5 40 GDBB Nc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 8747673 LNVWIZMLIWTUBG-UHFFFAOYSA-N 398.375 1.865 5 40 GDBB O=c1[nH]c(/C=C/c2ccc(I)o2)nc(O)c1[N+](=O)[O-] 9234824 OPSNZEHPCAVXJI-DUXPYHPUSA-N 375.078 1.752 5 40 GDBB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 9492627 SBGRAJYCRZRKEG-UHFFFAOYSA-N 399.450 1.954 5 40 GDBB C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 23868191 QXRHRAHDKFNGLA-MRVPVSSYSA-N 398.297 1.929 5 40 GDBB CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 205739397 IIRVEMWHJJZZEI-IZZDOVSWSA-N 382.350 1.908 5 40 GDBB O=C(COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccco1 28829659 SSGRNRKVWMMJPB-UHFFFAOYSA-N 375.337 1.167 5 40 GDBB Nc1nc(N2CCOCC2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 16757503 PLUHORYJHFHQGV-UHFFFAOYSA-N 399.455 1.126 5 40 GDBB Cc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)n1 36125591 SQHXQTDLMQJRTI-UHFFFAOYSA-N 385.387 1.570 5 40 GDBB CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-])C(N)=O 89929833 XDKPHLIEISNMSC-LRDDRELGSA-N 398.485 1.937 5 40 GDBB C[C@H]1CCCCN1CN1C(=O)C2(OCC(CO)([N+](=O)[O-])CO2)c2ccccc21 16609006 PRODOLANEOQDFL-YCMKEVRSSA-N 391.424 1.073 5 40 GDBB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1cccc([N+](=O)[O-])c1 3324233 OTCGYIZWXDBYMV-IBGZPJMESA-N 396.359 1.763 5 40 GDBB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)o1 3431996 BMCZLYTXJWDJQK-UHFFFAOYSA-N 379.394 1.643 5 40 GDBB Cc1c(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cccc1[N+](=O)[O-] 12917398 ZHOYFELFXVXPTQ-LLVKDONJSA-N 394.409 1.007 5 40 GDBB O=[N+]([O-])c1cc(Oc2ccc(-n3cnnn3)c([N+](=O)[O-])c2)ccc1-n1cnnn1 9034217 ONYVDCZSFGAPEA-UHFFFAOYSA-N 396.283 1.247 5 40 GDBB Cc1ccc(NC(=O)COC(=O)CSc2nnc(N)s2)c([N+](=O)[O-])c1 14360969 ZHVXKTUGWJIBBR-UHFFFAOYSA-N 383.411 1.611 5 40 GDBB O=C(CN1CCC[C@@H](N2CCNC2=O)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 58107837 QRXUCSZKUSDNRP-GFCCVEGCSA-N 381.820 1.676 5 40 GDBB N=C(N)NCCC[C@@H](NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O 5884142 LXYUWETVIGQKDY-MRXNPFEDSA-N 381.436 1.432 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2CN[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 18203358 WHNKKZPZINDTMQ-ADYAMRHXSA-N 392.371 1.460 5 40 GDBB CCOC(=O)c1cc(-c2ccc(C)c([N+](=O)[O-])c2)nc2c1c(=O)n(C)c(=O)n2C 3306606 QUNJMCFCPJVSQQ-UHFFFAOYSA-N 398.375 1.693 5 40 GDBB NC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 5828782 IWQQXEQUSUYYEP-UHFFFAOYSA-N 390.421 1.205 5 40 GDBB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1cccc([N+](=O)[O-])c1 33353551 GYEICUZVNWOYDK-UHFFFAOYSA-N 377.357 1.295 5 40 GDBB O=C(COC(=O)c1ccc(F)c([N+](=O)[O-])c1)NC(=O)NCc1ccccc1 8395196 QOLRBCGERSCGQK-UHFFFAOYSA-N 375.312 1.917 5 40 GDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)S(C)(=O)=O 100403409 UOEPLLGZVDNILB-BZPMIXESSA-N 397.453 1.674 5 40 GDBB CCN(CC)C(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 29403161 JEPVDPMRCCMQCK-UHFFFAOYSA-N 378.429 1.372 5 40 GDBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 224777166 CNHMKOOPYZHQTG-UHFFFAOYSA-N 394.361 1.912 5 40 GDBB O=C(NCCCN1CCOCC1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 20625100 YEJPWFRQBBJYDO-HNNXBMFYSA-N 377.445 1.045 5 40 GDBB CCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCS(=O)(=O)C1 6205450 SUKKDWPPFRZZPV-ZDUSSCGKSA-N 384.410 1.096 5 40 GDBB CN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)NC(=O)NC2=O)[C@H]1c1ccccc1 16995891 BEJYCGHGVCHSJA-OAHLLOKOSA-N 380.360 1.681 5 40 GDBB COc1cccc(-n2nnc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)cnc32)c1 4266862 IFYBMBRUELTFLB-UHFFFAOYSA-N 378.348 1.942 5 40 GDBB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4505345 XJXBXBIVMPBDLM-CYBMUJFWSA-N 376.456 1.573 5 40 GDBB COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 113893372 YVOCSVDMZFTXNM-UHFFFAOYSA-N 396.377 1.892 5 40 GDBB COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225003555 AYXCRFIPMBDFKQ-UHFFFAOYSA-N 394.361 1.692 5 40 GDBB CCCCOC(=O)c1cc([N+](=O)[O-])c(N2CCN(CCO)CC2)c([N+](=O)[O-])c1 19593876 ZWQULUKBCSERSP-UHFFFAOYSA-N 396.400 1.574 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2CN[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 248128575 WHNKKZPZINDTMQ-RRBXVBTKSA-N 392.371 1.460 5 40 GDBB CCN(CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)O[C@@H](C)C2)n1 5219441 NANWNXWJRQAMML-STQMWFEESA-N 381.481 1.724 5 40 GDBB COCCNC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O 1826030 SJECSIDHVQIVPT-UHFFFAOYSA-N 382.376 1.734 5 40 GDBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]2[C@@H](C)O1 13577146 JOVMOAWNADVGIA-RWSFTLGLSA-N 390.392 1.956 5 40 GDBB CCN(C(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 14236694 MIZDJIHACYHQPQ-SMDDNHRTSA-N 384.410 1.176 5 40 GDBB Cc1cc2c(Cc3c[nH]nc3-c3cccc([N+](=O)[O-])c3)n[nH]c(=O)c2c(NN)n1 12446854 ORCVDCXZKCHNQN-UHFFFAOYSA-N 392.379 1.801 5 40 GDBB O=C([C@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1)N1CCOCC1 12945189 ZYEVEPLBKSPZSQ-ZDUSSCGKSA-N 390.396 1.031 5 40 GDBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccsc2)CC1 15143435 CTOFSOWOIZMJGI-UHFFFAOYSA-N 382.467 1.626 5 40 GDBB COc1ccc(NC(=O)CSc2nnc(C[C@@H](C)O)n2C)c([N+](=O)[O-])c1 20436730 VAXDDOGXGYSAQH-SECBINFHSA-N 381.414 1.386 5 40 GDBB O=C(c1ccsc1)N1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 40153860 LCBPKDPYSMJJNO-UHFFFAOYSA-N 385.405 1.627 5 40 GDBB CCc1c(C(=O)NCc2nnc3n2CCC3)cnn1-c1ccc([N+](=O)[O-])cc1 32059005 UYBAIXVLBOKDMO-UHFFFAOYSA-N 381.396 1.811 5 40 GDBB O=c1[nH]c(/C=C/c2ccc(I)o2)c([N+](=O)[O-])c(=O)[nH]1 6495528 JZQOAOFICFWJSH-HNQUOIGGSA-N 375.078 1.339 5 40 GDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)CC 103628416 RHEJNAPYYKRUQK-PYCFMQQDSA-N 398.419 1.310 5 40 GDBB COC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc2c1CC[C@@H](C)C2 2092664 MLOCEOZOCMJPTA-MRVPVSSYSA-N 379.398 1.798 5 40 GDBB NS(=O)(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 11565768 AZTYOCDGZQIAOF-UHFFFAOYSA-N 389.345 1.601 5 40 GDBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCc2ccccc2C1 4947019 QNCCKQMYJACAFY-UHFFFAOYSA-N 397.387 1.453 5 40 GDBB CC(=O)c1ccc(Oc2nc([N+](=O)[O-])nn2CC(=O)N2CCOCC2)cc1 12364736 RBIJAHMBFAUOLC-UHFFFAOYSA-N 375.341 1.040 5 40 GDBB O=C(Nc1ccccc1)C1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 58161282 ZJDMIDZZDBVZNQ-UHFFFAOYSA-N 384.392 1.634 5 40 GDBB CNC(=O)[C@H]1Cc2ccccc2CN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 29503079 VFTLWPHRMBAJEW-GOSISDBHSA-N 392.419 1.984 5 40 GDBB COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)cc1 224863434 KFTZBQZFBRTNCU-UHFFFAOYSA-N 380.378 1.972 5 40 GDBB Cc1c(N)cc(S(=O)(=O)O)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 255189638 RFJQXVKIOKUXIN-UHFFFAOYSA-N 387.395 1.533 5 40 GDBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@H]1CS(=O)(=O)C[C@@H]1O 12139532 XURATZWXUWJWDY-RCOVLWMOSA-N 385.276 1.092 5 40 GDBB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO 6465328 WYEUJDNVMAKURM-SWLSCSKDSA-N 379.413 1.851 5 40 GDBB CCCn1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 5248648 LPCBUYUMTQBBSX-UHFFFAOYSA-N 382.380 1.672 5 40 GDBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CSc1nnc(N)s1 9492361 QCAGWUWPWBZCGZ-UHFFFAOYSA-N 399.410 1.311 5 40 GDBB O=C(NCCN1CCN(C(=O)c2ccsc2)CC1)c1ccc([N+](=O)[O-])o1 44453560 AOBRUGMWPREVCT-UHFFFAOYSA-N 378.410 1.437 5 40 GDBB CS(=O)(=O)N1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 28993368 XFBHQZYVAUHFCC-UHFFFAOYSA-N 384.458 1.281 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2ccc(C)c([N+](=O)[O-])c2)NC(=O)N[C@H]1C 23080073 ACBQUXNDERUTBD-JTQLQIEISA-N 377.353 1.579 5 40 GDBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)NC1CCCCC1 6532997 QACXETKTYWUEJF-GFCCVEGCSA-N 379.413 1.993 5 40 GDBB COCCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCSC1 32817453 RDSHOTZBMPLOQP-LLVKDONJSA-N 393.421 1.171 5 40 GDBB C[C@H](OC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1 24746867 KHALUOMCLKEBJQ-OLZOCXBDSA-N 377.397 1.657 5 40 GDBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H](N2CCC3(CC2)OCCO3)C1=O 20634561 CNOXWDSACJOSBL-HNNXBMFYSA-N 375.381 1.374 5 40 GDBB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 24167292 LONFLOKAHYPWKQ-AWEZNQCLSA-N 397.435 1.843 5 40 GDBB O=c1[nH]c(/C=C/c2ccc(I)cc2)c([N+](=O)[O-])c(=O)[nH]1 6494631 GDNKOHLGTFMPTG-ZZXKWVIFSA-N 385.117 1.746 5 40 GDBB O=C(CN1C(=O)COc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 7803026 DFPYCNFRHUWKBR-UHFFFAOYSA-N 396.403 1.669 5 40 GDBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(C)(=O)=O 100403406 UOEPLLGZVDNILB-YRGRVCCFSA-N 397.453 1.674 5 40 GDBB Cc1nn(CC(=O)N2CCC(C(=O)Nc3ccncc3)CC2)c(C)c1[N+](=O)[O-] 24703223 HKZSWKDVJKZJJN-UHFFFAOYSA-N 386.412 1.680 5 40 GDBB O=C([C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1)N1CCOCC1 16964229 ODYYKTPMCRYJJX-SFHVURJKSA-N 397.387 1.861 5 40 GDBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])o2)C1=O 409250338 XETZSSARJAMJKT-XYOKQWHBSA-N 386.320 1.728 5 40 GDBB COC(=O)c1cnc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)s1 24364886 CNWVDOYQOSSAQC-UHFFFAOYSA-N 378.366 1.597 5 40 GDBB O=C(NCCc1ccc(F)cc1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 24841202 NDLUFFBYIFOILT-IRXDYDNUSA-N 377.372 1.670 5 40 GDBB COC(=O)CSc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 223281273 NPSPKSYXNYONBO-UHFFFAOYSA-N 390.424 1.512 5 40 GDBB CCCCn1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 17076763 JDIHNCJTMIAMDP-UHFFFAOYSA-N 375.389 1.470 5 40 GDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 4940601 VNKZTDHKEGYRIH-UHFFFAOYSA-N 375.362 1.686 5 40 GDBB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1 22990057 WGVDISWVAZBWCS-UHFFFAOYSA-N 394.409 1.758 5 40 GDBB C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 102753592 ZPHWWXPGFONSCT-YCQQOHMZSA-N 392.371 1.540 5 40 GDBB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cn1C 72306286 PSAIKGSREFZSBQ-UHFFFAOYSA-N 383.382 1.919 5 40 GDBB COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(C(C)C)c1=N 100630610 XYIQIOSLLDXHRM-UHFFFAOYSA-N 383.452 1.784 5 40 GDBB C[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)O 4474149 LFZOSZWLDFCHHV-PILJQMSFSA-N 383.360 1.955 5 40 GDBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)c(OC)c1 101244630 DEPZQMSFQVKPSE-WBVHZDCISA-N 397.343 1.905 5 40 GDBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)OC 409339679 KLZGTUVTHWKZFL-ALCCZGGFSA-N 391.336 1.917 5 40 GDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)NC[C@@H]1CCCO1 8826486 RMYWKYLANBSWHN-AWEZNQCLSA-N 377.397 1.647 5 40 GDBB C[C@H](O)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 13554863 NUKYLILLNPLJJG-MEDUHNTESA-N 384.344 1.684 5 40 GDBB CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 250666773 IXDQKWALENFNJD-DOMZBBRYSA-N 375.381 1.502 5 40 GDBB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)no1 408670243 YXIPQGRKYLUXIP-UHFFFAOYSA-N 390.352 2.182 5 40 GDBB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 13637656 URTYDVLRHSYPOH-LLVKDONJSA-N 396.359 1.944 5 40 GDBB Cc1cc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)no1 32782933 TUHGMDBKTDYKPC-UHFFFAOYSA-N 395.335 1.426 5 40 GDBB CCn1nc(C)c(S(=O)(=O)NCCCn2nc(C)c([N+](=O)[O-])c2C)c1C 36614475 RLXDHXDTXWBTFX-UHFFFAOYSA-N 384.462 1.610 5 40 GDBB COc1ccccc1N1C(=O)[C@@H]2NN=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O 103505108 VSHNODVPPDVIIX-GOEBONIOSA-N 394.343 1.304 5 40 GDBB Cc1nn(C)c2ncc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc12 48234966 BQTTWOBMWFQVBD-UHFFFAOYSA-N 396.411 1.934 5 40 GDBB COC(=O)CNC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)N1c1ccccc1 15413644 PWQGPSILRAMUNY-IBGZPJMESA-N 383.360 1.516 5 40 GDBB O=C(Nc1ccc(-n2cncn2)nc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 48132633 FWVCRZWEJGZRHY-UHFFFAOYSA-N 395.383 1.320 5 40 GDBB Cc1ccc(C)c(OC[C@H](O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1C 12904349 RCNWOARMPDOECO-CQSZACIVSA-N 375.381 1.221 5 40 GDBB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9285621 YSCKEBVOUSHUAE-UHFFFAOYSA-N 395.379 1.659 5 40 GDBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2S1(=O)=O 4940724 WFIQMXZHXWXODE-SNVBAGLBSA-N 375.362 1.767 5 40 GDBB O=C(NC[C@H]1CCCO1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12918905 ZQIKUIRBPNKYJF-GDBMZVCRSA-N 397.453 1.433 5 40 GDBB COC(=O)c1ccc(CNC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 4871812 IMVNZOAKDCASDD-UHFFFAOYSA-N 387.348 1.437 5 40 GDBB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4505347 XJXBXBIVMPBDLM-ZDUSSCGKSA-N 376.456 1.573 5 40 GDBB COCCNc1ccc(C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 30603068 NQOJRWLSLZLMLI-GASCZTMLSA-N 394.472 1.882 5 40 GDBB C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N1CCCC1 4579925 WEUTUFVTIAEBND-CYBMUJFWSA-N 397.453 1.769 5 40 GDBB CC(=O)Nc1nc(COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cs1 24907841 ZXPYJTAYMBEUHB-UHFFFAOYSA-N 378.366 1.483 5 40 GDBB C[C@H]1CN(C(C)(C)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 45799471 PHWJSTPOOUDNAQ-OKILXGFUSA-N 385.486 1.902 5 40 GDBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 57897262 PKSTWCYURLMLTO-LBPRGKRZSA-N 393.387 1.923 5 40 GDBB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(CCO)c3nc12 104029716 PWYALLDIKNQVDW-UHFFFAOYSA-N 381.436 1.102 5 40 GDBB COc1ccc(NC(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)c([N+](=O)[O-])c1 6924665 VYYJUUSKHZAUEY-UHFFFAOYSA-N 399.323 1.804 5 40 GDBB COCCn1nnnc1[C@@H](C(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57670039 VSZRKQVLTJTRRN-QGZVFWFLSA-N 389.460 1.747 5 40 GDBB C[C@H]1CN([C@H](C)CNC(=O)C[S@@](=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 195529596 SIMCLNUADQXRBI-UTANKCNHSA-N 383.470 1.316 5 40 GDBB O=[N+]([O-])c1ccc(N2CCCC3(C2)OCCO3)c(S(=O)(=O)N2CCCC2)c1 84351255 ILIVSIHMOPASSE-UHFFFAOYSA-N 397.453 1.723 5 40 GDBB CCn1nc(C)c(S(=O)(=O)NCCn2cc(Cl)c([N+](=O)[O-])n2)c1C 36614449 AGRRITBVFZBZOA-UHFFFAOYSA-N 376.826 1.256 5 40 GDBB CC1(C)O[C@@H]2O[C@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4293469 CCRYLXMJSTVYDO-UYDZFFJVSA-N 398.368 1.314 5 40 GDBB biogenic COC(=O)[C@H](CCSC)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 41154561 VKIZFGFKEYIXBF-ZDUSSCGKSA-N 383.426 1.126 5 40 GDBB CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N(C)C1=S 4624009 KNBWYGXPEORLPI-AWEZNQCLSA-N 388.449 1.712 5 40 GDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 12776629 PRVYCKWPMPBNFV-UHFFFAOYSA-N 391.449 1.906 5 40 GDBB C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(=O)Nc1ncccc1O 588862032 JFWMVHUJOKQOOS-QWRGUYRKSA-N 376.373 1.062 5 40 GDBB Cc1nn(C(F)F)cc1S(=O)(=O)NCCCn1nc([N+](=O)[O-])cc1C 36614790 MAPZZKQKSJXPDE-UHFFFAOYSA-N 378.361 1.368 5 40 GDBB CCc1n[nH]c(-n2ccc3nc4ccn(CCCOC)c(=O)c4cc3c2=O)n1 40399149 HNQLPAKLSAUVRD-UHFFFAOYSA-N 380.408 1.418 5 40 GDBB O=C([C@@H]1COc2ccccc2O1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 1547211711 JXGAHMPERDHMLL-VBHSOAQHSA-N 397.387 1.542 5 40 GDBB biogenic CC1CCN(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2NCCO)CC1 12606511 MSBITTLRFLICGM-CYBMUJFWSA-N 379.413 1.803 5 40 GDBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCCO)[C@@H]1c1cccc([N+](=O)[O-])c1 34066230 OFTWHTCEEWIQLZ-MRXNPFEDSA-N 376.365 1.538 5 40 GDBB biogenic CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCCOC(C)C)c1=N 100757506 KCMLHVBQFRPAGC-UHFFFAOYSA-N 383.452 1.612 5 40 GDBB biogenic Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 102628342 KOTBAVYTFOXIEH-RPLLJCPNSA-N 398.371 1.436 5 40 GDBB NS(=O)(=O)c1ccc(NNC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 102383541 HMSXDEDAFDVUOZ-LNLATYFQSA-N 385.471 1.222 5 40 GDBB C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 22665714 IVEMQEMACHGKLM-NSHDSACASA-N 382.336 1.755 5 40 GDBB CCC(=O)N1CCCC[C@H]1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 51912400 BEJLAHCHTHCNRG-HNNXBMFYSA-N 389.408 1.818 5 40 GDBB O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3COC4(CCCCC4)O[C@@H]3[C@@H](O)[C@H]2O)cc1 247312085 ISZQEKQIBZZACU-BPKGMFCQSA-N 381.381 1.496 5 40 GDBB Cn1c2c(c(=O)n(C)c1=S)[C@@H](c1cc([N+](=O)[O-])ccc1N1CCOCC1)O2 4185879 JDMHXGIWTIIOOL-CQSZACIVSA-N 390.421 1.680 5 40 GDBB CS(=O)(=O)N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 26352177 GCSHTEUORAMCHS-UHFFFAOYSA-N 399.472 1.259 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCS(=O)(=O)c1ccccc1 32935788 SGMXBBLFMHPWMK-UHFFFAOYSA-N 384.435 1.655 5 40 GDBB CC(=O)Nc1cccc2c1CCN(c1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C2 54125377 XKYIUBJPQBIPQE-UHFFFAOYSA-N 390.421 1.763 5 40 GDBB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 9288875 JCIQJCBIMRYZBF-HNNXBMFYSA-N 375.381 1.502 5 40 GDBB CN1CCO[C@H](CN(CC2CC2)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 601150936 JBNZNFPIWUDJSD-NSHDSACASA-N 377.367 1.894 5 40 GDBB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 10333527 CSYGUKJUTMMKIN-UHFFFAOYSA-N 390.849 1.705 5 40 GDBB CCCS(=O)(=O)NC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 48253671 JEPVUPZNFUNGPE-UHFFFAOYSA-N 381.458 1.696 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N[C@@]1(O)C(F)(F)F 11859009 BVBNHNYFVGUWBH-KWBADKCTSA-N 377.275 1.379 5 40 GDBB CS(=O)(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@H]1c1ccc([N+](=O)[O-])cc1 19879758 GGKMXXBCNZBDMI-LBPRGKRZSA-N 384.366 1.157 5 40 GDBB COc1ccc(CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 28198213 HGBZCWXRZQHKPZ-UHFFFAOYSA-N 385.376 1.688 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 408620480 JHIJELHVKIZBMT-UQBFBZJBSA-N 381.388 1.895 5 40 GDBB O=C(NC(=S)Nc1cccnc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408621788 NZXVCVKUTBYNKD-UHFFFAOYSA-N 387.421 1.953 5 40 GDBB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 34924585 UYRCRPXKGACVJM-CYBMUJFWSA-N 375.341 1.753 5 40 GDBB CCOC(=O)CSc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2)n1C 2724050 QNLFLWMHQJMFSI-UHFFFAOYSA-N 379.398 1.309 5 40 GDBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCN1C(=O)CSC1=O 16695562 GXJHFTIFUPPRKW-LLVKDONJSA-N 380.426 1.399 5 40 GDBB COc1ccc(C(=O)NCC(=O)NCc2ccc(C(=O)O)cc2)cc1[N+](=O)[O-] 6881970 TWYJVPGYEYXDFB-UHFFFAOYSA-N 387.348 1.348 5 40 GDBB O=C(c1ccccc1)N1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 19913336 CKVJRYAOCAWFFE-SFHVURJKSA-N 385.420 1.793 5 40 GDBB COCCn1c(=N)c(C(=O)NCC(C)C)cc2c(=O)n3cccc(C)c3nc21 101108923 ONAGSSXAMITTKN-UHFFFAOYSA-N 383.452 1.469 5 40 GDBB O=C(O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225027706 UQKDQHWWKOLLCG-UHFFFAOYSA-N 380.334 1.603 5 40 GDBB CS(=O)(=O)c1ccc(NCCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1 9119472 WDUBFMIOMAICSI-UHFFFAOYSA-N 399.450 1.300 5 40 GDBB Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1[N+](=O)[O-] 3396223 LLIHUYBAJPROKX-UHFFFAOYSA-N 381.414 1.297 5 40 GDBB Cc1cc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)on1 58015941 WHBISWWKHOLDAJ-UHFFFAOYSA-N 382.398 1.524 5 40 GDBB CCOC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] 1708583 YTFAHZOPJFEDAZ-INIZCTEOSA-N 399.403 1.615 5 40 GDBB NC(=O)c1ccc(SCC(=O)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 8514895 ZEPXWLAMRAUIRT-UHFFFAOYSA-N 389.389 1.831 5 40 GDBB O=C(c1ccoc1)N1CCC(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 24207226 ZMPSBXZREQFOLJ-UHFFFAOYSA-N 383.364 1.912 5 40 GDBB CC(C)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 30957128 SJDKFESDRFFTTA-UHFFFAOYSA-N 398.485 1.146 5 40 GDBB CN(C)S(=O)(=O)c1cccc(CNc2cc([N+](=O)[O-])ccc2NCCO)c1 9468416 NTKKKAKWHKNETQ-UHFFFAOYSA-N 394.453 1.861 5 40 GDBB O=c1c2cc(S(=O)(=O)c3ccccc3)c3nnnn3c2nc2ccccn12 16742635 GTGZHDNVNVXKBD-UHFFFAOYSA-N 378.373 1.118 5 40 GDBB O=C(CN1C(=O)N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1 100253475 FHGQHWFKHPMKAO-MDWZMJQESA-N 382.332 1.832 5 40 GDBB COc1ccc(S(=O)(=O)N2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 89434975 RNRLOHSWNDUGNU-UHFFFAOYSA-N 384.332 1.681 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 14396720 HCKBNCWVNJEEBO-UHFFFAOYSA-N 376.394 1.894 5 40 GDBB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1 8412025 HKVMWASCLBFPBT-UHFFFAOYSA-N 397.343 1.763 5 40 GDBB Cc1ccc(N2C(=O)C[C@@H](N3CCC4(CC3)OCCO4)C2=O)cc1[N+](=O)[O-] 104346096 HJGRZICYUYMDAX-OAHLLOKOSA-N 375.381 1.374 5 40 GDBB CC(=O)c1ccc(N2CCN(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)CC2)cc1 6786511 BYLJHEWQXZWDOU-UHFFFAOYSA-N 385.424 1.960 5 40 GDBB CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 3525789 LHLYXYZXZXAPQS-UHFFFAOYSA-N 392.389 1.885 5 40 GDBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN(c2ccccc2)CC1 7754673 WOCRUDNTSVBKES-UHFFFAOYSA-N 396.403 1.669 5 40 GDBB O=C(Nc1ncc([N+](=O)[O-])s1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 16850976 BIGLEDQCXCEMBT-QMMMGPOBSA-N 397.438 1.348 5 40 GDBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C1=O 9262564 CYAHVFSEMMNTQR-IGCGCMMHSA-N 382.350 1.907 5 40 GDBB CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 84240621 XOMCEAZQCYHLRD-CYBMUJFWSA-N 390.444 1.888 5 40 GDBB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)CC1 96301125 GJLLVCMJHUJNAK-INIZCTEOSA-N 389.408 1.810 5 40 GDBB Cc1cc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)c2C)no1 40050074 LQOSRXJTHMPTHI-UHFFFAOYSA-N 399.363 1.442 5 40 GDBB CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCn2ccnc2)c1=N 100630710 RKMPKTBNIYBMDB-UHFFFAOYSA-N 391.435 1.083 5 40 GDBB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 44880047 YCYDFSAYVYSOJX-JTQLQIEISA-N 390.849 1.705 5 40 GDBB O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)Nc1ccc([N+](=O)[O-])cc1Cl 31646774 NBPPYHFANYOTNA-CQSZACIVSA-N 384.801 1.614 5 40 GDBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-n2cnnn2)cc1 3324791 YJMLATYMNILCPS-UHFFFAOYSA-N 383.320 1.794 5 40 GDBB COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2(C)C)cc1[N+](=O)[O-] 95463677 AODXPTCOCLCJOX-UHFFFAOYSA-N 397.453 1.625 5 40 GDBB C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](C)C(=O)Nc1ncccc1O 588862028 JFWMVHUJOKQOOS-GHMZBOCLSA-N 376.373 1.062 5 40 GDBB O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 9466301 HVRKJGILRDIOMG-INIZCTEOSA-N 386.364 1.047 5 40 GDBB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 4564816 NVXQMPVKMQSCPS-UHFFFAOYSA-N 387.458 1.873 5 40 GDBB O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1 9438776 SHDVFGNVXSTOOY-UHFFFAOYSA-N 382.336 1.430 5 40 GDBB CCOc1nn(CCNS(=O)(=O)c2c(C)nn(CC)c2C)cc1[N+](=O)[O-] 36614481 UOWUHKGDHHORSB-UHFFFAOYSA-N 386.434 1.002 5 40 GDBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC(=O)NCc1ccccn1 96012581 HCLJOLLZABZNGL-UHFFFAOYSA-N 378.410 1.283 5 40 GDBB Nc1nc(NCCCN2CCOCC2)nc(NCc2ccccc2)c1[N+](=O)[O-] 20229821 JVCVLGFPYYJLNO-UHFFFAOYSA-N 387.444 1.713 5 40 GDBB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)C1=O 13881352 CYAHVFSEMMNTQR-SYFUPATCSA-N 382.350 1.907 5 40 GDBB COc1ccc(/C=c2/sc3n(c2=O)CN(c2ccc([N+](=O)[O-])cc2)CN=3)cc1 16216005 KEEXQTFVWYGYOZ-LICLKQGHSA-N 396.428 1.710 5 40 GDBB CNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(F)cc2)c1=N 101245395 CMBQXKBGNKZART-UHFFFAOYSA-N 377.379 1.676 5 40 GDBB CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 9119249 LNGKLLYKCCEYIX-UHFFFAOYSA-N 393.377 1.437 5 40 GDBB N=C(NC1=N[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N1)Nc1ccccc1 9264777 PCGSEVUGWTWAJO-AWEZNQCLSA-N 395.379 1.414 5 40 GDBB CCCCOc1ccc(S(=O)(=O)n2cc(F)c(O)nc2=O)cc1[N+](=O)[O-] 27532765 JMPKRMCNGKAGBJ-UHFFFAOYSA-N 387.345 1.412 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 30862970 NSGKYZDWXBGKTR-NSHDSACASA-N 386.430 1.060 5 40 GDBB Cc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 408626371 GVBZBOXLOWNLMU-UHFFFAOYSA-N 394.434 1.677 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC(=O)NCC(F)(F)F 58163072 PRKLHSYMNOLSSP-UHFFFAOYSA-N 376.335 1.842 5 40 GDBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCCN1CCOCC1 26099061 UTCQJIARZVIXEF-UHFFFAOYSA-N 379.442 1.727 5 40 GDBB Cc1noc(C)c1CN1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 32911786 GOUFCVZIBITWSJ-UHFFFAOYSA-N 384.396 1.530 5 40 GDBB COc1ccccc1NC(=S)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 3340065 USCLFSFDAOHFSM-ZBFHGGJFSA-N 377.422 1.984 5 40 GDBB C[C@@H](C(=O)Nc1ncc([N+](=O)[O-])s1)N1C(=O)c2ccccc2S1(=O)=O 10188066 QPVMBGKTIPULLL-ZETCQYMHSA-N 382.379 1.223 5 40 GDBB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 11672967 FEWIZARYAYSELW-LBPRGKRZSA-N 398.437 1.802 5 40 GDBB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)CC1 20798718 GJLLVCMJHUJNAK-MRXNPFEDSA-N 389.408 1.810 5 40 GDBB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 40115850 RXCIDBQYNNOVJC-HZPDHXFCSA-N 395.481 1.482 5 40 GDBB COc1nonc1OCCN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 57255068 KACAPALGWHNPND-UHFFFAOYSA-N 383.792 1.841 5 40 GDBB Cc1ccoc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 25319297 NGCMLTTYVQJKCG-UHFFFAOYSA-N 379.394 1.643 5 40 GDBB Cn1nc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc2c1=O 27535259 MDJMERFFVBINJP-UHFFFAOYSA-N 393.403 1.804 5 40 GDBB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1[N+](=O)[O-] 6943907 JZWJUCLDTOVSLN-UHFFFAOYSA-N 397.343 1.763 5 40 GDBB CCOC(=O)COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OC 409320024 OSWYMZQXTZJVEN-GQCTYLIASA-N 391.336 1.917 5 40 GDBB CC1([N+](=O)[O-])COP(=O)(OP2(=O)OCC(C)([N+](=O)[O-])CO2)OC1 4990821 SGEAYRJOFDICCL-UHFFFAOYSA-N 376.151 1.384 5 40 GDBB COc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 10024722 CHROZKITOHEBDG-ZIAGYGMSSA-N 398.437 1.412 5 40 GDBB CC(C)NS(=O)(=O)c1ccc(Sc2nc3ncccn3n2)c([N+](=O)[O-])c1 12887302 PJCNCVUUEXCBON-UHFFFAOYSA-N 394.438 1.870 5 40 GDBB O=C(N1CCCCC1)N1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 12943020 KXBGZXRVZBRXTQ-UHFFFAOYSA-N 389.412 1.684 5 40 GDBB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 4740715 AKRBIRGHWGUQDF-UHFFFAOYSA-N 391.405 1.868 5 40 GDBB Cc1c(Cl)cc(S(=O)(=O)NCC(=O)N2CCCCC2)cc1[N+](=O)[O-] 32444721 QQAUPBXPAQLIPW-UHFFFAOYSA-N 375.834 1.847 5 40 GDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](c3nncn3C)C2)c1C 32911891 NZYIBWCOSSAVBQ-CYBMUJFWSA-N 379.442 1.908 5 40 GDBB NC(=O)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12495935 ISRKVULQIYSLDD-UHFFFAOYSA-N 389.349 1.729 5 40 GDBB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCCO2)CC1 33039551 FDUBTWMEQNRKNQ-CZUORRHYSA-N 376.413 1.245 5 40 GDBB COC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C(=O)[C@H]12 1058212 IHDJIERXLABMQW-IFXJQAMLSA-N 394.343 1.112 5 40 GDBB O=[N+]([O-])c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1[N+](=O)[O-] 4538750 RWSMEUGBSLLVNA-UHFFFAOYSA-N 378.296 1.150 5 40 GDBB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccccc1[N+](=O)[O-] 5242375 QACDXXBJOJANSX-LBPRGKRZSA-N 387.348 1.718 5 40 GDBB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 5726663 SDHVMLQOMPGBRQ-KBPBESRZSA-N 394.380 1.691 5 40 GDBB Nc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccccc2)cc1[N+](=O)[O-] 9988603 RLOVGIFKOAXDTP-UHFFFAOYSA-N 395.393 1.078 5 40 GDBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100285937 MOEYYLKQHAXOSV-AJDFSKMUSA-N 381.388 1.975 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc12 6657632 IQTAYZGXYBUFKQ-UHFFFAOYSA-N 382.332 1.935 5 40 GDBB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 17076761 IXDQKWALENFNJD-SWLSCSKDSA-N 375.381 1.502 5 40 GDBB COC(=O)[C@@H]([C@H](C[N+](=O)[O-])c1ccccc1)S(=O)(=O)Oc1ccccc1 3015350 FYZAEUGEUAZUOX-HZPDHXFCSA-N 379.390 1.997 5 40 GDBB O=C(NCc1ccc(-n2cccc2)cc1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1 12360577 UBFFOGHEXVQPOF-UHFFFAOYSA-N 393.363 1.943 5 40 GDBB CCCCn1nnc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 35339435 YIWVUXRYGIHOIA-UHFFFAOYSA-N 379.402 1.517 5 40 GDBB O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(CN2CCOCC2)CC1 47423656 BDYNYMVPWDCXOR-UHFFFAOYSA-N 376.457 1.968 5 40 GDBB NC(=O)CNC(=O)c1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 57246773 GIICCQUYOYUCEQ-UHFFFAOYSA-N 381.348 1.544 5 40 GDBB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc([N+](=O)[O-])cc1 71980281 VMUZBOIGDHGXCX-OAHLLOKOSA-N 377.397 1.723 5 40 GDBB O=C1NC[C@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CCN2C1=O 79046696 OTSWUDFIUBNUOR-ZETCQYMHSA-N 392.721 1.414 5 40 GDBB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 5508576 VHGRJIRIFRARPT-UHFFFAOYSA-N 399.787 1.706 5 40 GDBB CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 16737231 QWPLOIPHYDPUEJ-UHFFFAOYSA-N 398.485 1.078 5 40 GDBB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 8191505 FHRLEPIUADWSMX-CQSZACIVSA-N 379.438 1.784 5 40 GDBB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])c[nH]c1=O 14199550 APQCEJKGCICSSS-CYBMUJFWSA-N 378.410 1.148 5 40 GDBB O=[N+]([O-])c1cccnc1NCc1ccccc1CS(=O)(=O)N1CCOCC1 23675063 ZJPYYEWZWXKXSS-UHFFFAOYSA-N 392.437 1.764 5 40 GDBB CCn1nc(C)c(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1C 585138294 CHSICSJBHWWICV-UHFFFAOYSA-N 392.401 1.409 5 40 GDBB CCN(C(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 14236691 MIZDJIHACYHQPQ-RISCZKNCSA-N 384.410 1.176 5 40 GDBB O=C(Nc1nc[nH]n1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 33854447 SECDMUXPBBFQEJ-UHFFFAOYSA-N 388.365 1.766 5 40 GDBB CCN(Cc1cccc(F)c1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 40050084 HAHKXLFNOZIEOE-UHFFFAOYSA-N 376.344 1.043 5 40 GDBB CCCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cc(C)ccc3nc21 100627780 HZHIOAABKBANLW-UHFFFAOYSA-N 383.452 1.613 5 40 GDBB CC1CCN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 23079641 JUWKFAAPKSDTDN-UHFFFAOYSA-N 395.437 1.588 5 40 GDBB O=C(c1ccoc1)N1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 24439925 YSLFVNYNSMRSGR-UHFFFAOYSA-N 379.394 1.771 5 40 GDBB COc1ccc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] 47299146 PXHUMBFKFDPJMN-UHFFFAOYSA-N 396.363 1.553 5 40 GDBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N[C@@H]3CCCNC3=O)c([N+](=O)[O-])c2)C1 58224128 VOKJAMAHJDUSBR-IUODEOHRSA-N 396.469 1.706 5 40 GDBB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1[N+](=O)[O-] 103067417 JEOQZCKDELHBDP-TXEJJXNPSA-N 389.364 1.252 5 40 GDBB CCOc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)OC 32689386 HFVIOVVULNRPEY-XQRVVYSFSA-N 391.336 1.505 5 40 GDBB Cc1cnc2c(c1)NC(=O)CN2C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 95965059 JUKNGPNQAVIKEB-UHFFFAOYSA-N 379.332 1.739 5 40 GDBB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 100641322 KOTBAVYTFOXIEH-DSIZOQBWSA-N 398.371 1.436 5 40 GDBB C[C@@H]1CN(S(=O)(=O)CCNc2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)O1 58202290 VDVUWLJBEGIXRE-CHWSQXEVSA-N 394.453 1.994 5 40 GDBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2ccccc2c(=O)n1CC(N)=O 16694986 YTBKZESIOXIKEF-CYBMUJFWSA-N 395.419 1.983 5 40 GDBB CCOC(=O)c1c(SCC(=O)OC)nn(-c2ccc([N+](=O)[O-])cc2)c1N 16683047 PJQKYVYVJXFMLP-UHFFFAOYSA-N 380.382 1.805 5 40 GDBB COC(=O)c1cccc(OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 6948367 BYZYBBKLIKJUGW-UHFFFAOYSA-N 398.327 1.973 5 40 GDBB COCCNC(=O)Cn1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])o1)CSC2 23138946 BIQQGAGKVAFFQW-UHFFFAOYSA-N 395.397 1.146 5 40 GDBB O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]12 8997279 DBMWSCRZFDQJCQ-KBXCAEBGSA-N 386.433 1.512 5 40 GDBB Cc1nn(CC(=O)NC[C@H](c2cccs2)N2CCOCC2)c(C)c1[N+](=O)[O-] 22357693 AVECXPMZLZJNCQ-CQSZACIVSA-N 393.469 1.659 5 40 GDBB CCOC(=O)N[C@H]1CCCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 55018031 IGMIGFMHUICNBE-VIFPVBQESA-N 376.211 1.722 5 40 GDBB COc1ncccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 58051127 ISNXQCWSAXYERY-GFCCVEGCSA-N 388.355 1.807 5 40 GDBB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 2293990 SDHVMLQOMPGBRQ-UONOGXRCSA-N 394.380 1.691 5 40 GDBB O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 6471692 SVAKUUGPEOTKMU-AWEZNQCLSA-N 394.405 1.783 5 40 GDBB C[C@@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 24927657 PVZKHOOAZPUVFT-LLVKDONJSA-N 379.394 1.673 5 40 GDBB Cc1nc(N2CCOCC2)nc(ON2C(=O)c3ccccc3C2=O)c1[N+](=O)[O-] 9070717 FAWRVGVBETVCAK-UHFFFAOYSA-N 385.336 1.120 5 40 GDBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 102753580 CJYDZOQNSMKQGM-QEIBSMPJSA-N 392.371 1.540 5 40 GDBB O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)N1CCN(Cc2ccco2)CC1 55027878 GEIDNGDXTUWMJT-UHFFFAOYSA-N 396.407 1.786 5 40 GDBB NS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3400084 AMDCTTHODUXKSN-UHFFFAOYSA-N 392.393 1.001 5 40 GDBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 247297255 CVZXNSIMGSRIKM-XDNAFOTISA-N 389.367 1.951 5 40 GDBB O=C(Nc1ccccc1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 6595331 HSLPEIABCKIJIC-ZBFHGGJFSA-N 391.405 1.357 5 40 GDBB CS(=O)(=O)c1ccc(NCCNC(=O)Cc2ccccc2)c([N+](=O)[O-])c1 12744795 ZTHSECYEDIOQRK-UHFFFAOYSA-N 377.422 1.769 5 40 GDBB CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 12949879 BNFILPCYTJIZNV-LLVKDONJSA-N 375.834 1.928 5 40 GDBB CC(C)NC(=O)CN1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 32777828 AFIHSHXYTJOQLH-UHFFFAOYSA-N 398.485 1.035 5 40 GDBB CC(C)[C@H](C(=O)N(C)C)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 57986801 DRTCODFRZPGYOY-MRXNPFEDSA-N 398.485 1.014 5 40 GDBB CCC[C@@H]1C(=O)NCCN1c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 95451663 HNMUXVFRJWRCLY-OAHLLOKOSA-N 398.485 1.730 5 40 GDBB CCNC(=O)NC[C@H]1CC[C@]2(COCCN(Cc3ccc([N+](=O)[O-])s3)C2)O1 306129379 IBPRGQRPBQJNOO-DYVFJYSZSA-N 398.485 1.725 5 40 GDBB COCCN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O 408526811 CLQPKEIIFMVIGL-QPEQYQDCSA-N 392.393 1.468 5 40 GDBB CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 6262537 ZSLLUSXLNCPFEP-WCVJEAGWSA-N 396.403 1.924 5 40 GDBB CCOC(=O)C1=C(COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)NC(=O)N[C@@H]1C 12825681 AELVXMKKJPQARX-WSKFYRRCSA-N 389.364 1.670 5 40 GDBB NC(=O)[C@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 23076453 SRNJEDZLMFMEAS-KRWDZBQOSA-N 385.380 1.852 5 40 GDBB Cn1nc(C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccccc21 604405018 OMAYVLKBSWCNHC-STQMWFEESA-N 393.403 1.903 5 40 GDBB biogenic CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 950593 VGNSPKSEXFXHFO-OAHLLOKOSA-N 378.352 1.904 5 40 GDBB O=C1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2N1 3598269 ULOPJINRTQMENK-UHFFFAOYSA-N 380.316 1.176 5 40 GDBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(c2ncccn2)CC1 6817075 PKTZZNLAXJKSJP-UHFFFAOYSA-N 398.423 1.184 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O 10434054 WOYRQNFKLJCDIC-UHFFFAOYSA-N 377.422 1.986 5 40 GDBB Cc1ccc(NCCCNC(=O)CNC(=O)c2ccc(O)cc2)c([N+](=O)[O-])c1 610091182 RGUWGFVELUWMLB-UHFFFAOYSA-N 386.408 1.957 5 40 GDBB Cn1nc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccccc21 886024606 OMAYVLKBSWCNHC-QWHCGFSZSA-N 393.403 1.903 5 40 GDBB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 6397576 WHAXQOIRJXJPHM-UHFFFAOYSA-N 385.442 1.674 5 40 GDBB NS(=O)(=O)c1ccc(NNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 102383538 HMSXDEDAFDVUOZ-KBVBSXBZSA-N 385.471 1.222 5 40 GDBB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)CC1 20634586 BWAVVCVXCIJUNH-HNNXBMFYSA-N 375.381 1.502 5 40 GDBB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 226977940 BFAZOQCDOHPRFK-FXUDXRNXSA-N 375.381 1.122 5 40 GDBB COC(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 7127590 OUPVTLZTWQVGPZ-UHFFFAOYSA-N 388.332 1.805 5 40 GDBB CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 4090228 ULCFLMRJJZSUDF-GGXPGOJBSA-N 393.392 1.761 5 40 GDBB Cc1nnc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)s1 408677642 BBHPSTRRLIVBHO-UHFFFAOYSA-N 378.366 1.900 5 40 GDBB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1 25494367 TZWBXEUVZLXONZ-SNVBAGLBSA-N 392.441 1.804 5 40 GDBB Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1[N+](=O)[O-] 100641324 KOTBAVYTFOXIEH-LUVWLHFXSA-N 398.371 1.436 5 40 GDBB Cc1cc(C)c(S(=O)(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 3175954 ASOYOFUYFYVHEC-SJORKVTESA-N 394.449 1.893 5 40 GDBB CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N[C@]1(O)C(F)(F)F 4387375 BVBNHNYFVGUWBH-GIPNMCIBSA-N 377.275 1.379 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCn1ccnc1)S(C)(=O)=O 10313969 HCUYNXAWCXOZSU-UHFFFAOYSA-N 395.441 1.072 5 40 GDBB O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 7974008 OOMQEWUPTXIRGX-UHFFFAOYSA-N 383.408 1.459 5 40 GDBB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 4505333 CLVHJSLXBXZGAP-ZDUSSCGKSA-N 376.456 1.573 5 40 GDBB O=c1/c(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)sc2nc3ccccc3n12 13152449 AUGLTWDBBOMCGG-AWNIVKPZSA-N 384.329 1.979 5 40 GDBB C[C@@H]1C[C@@H](C)CN(c2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C1 20461513 NEICZCYPVJXYTM-ZIAGYGMSSA-N 393.492 1.584 5 40 GDBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]2C(=O)N1c1ccc2c(c1)OCCO2 103615917 RJKPZJOBQKDYHJ-DOTOQJQBSA-N 395.327 1.659 5 40 GDBB COCCNC(=O)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 216243969 GZAXZZVRYPHGIW-UHFFFAOYSA-N 393.421 1.913 5 40 GDBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12972587 AQJCIAJCFJRVEP-UHFFFAOYSA-N 399.363 1.649 5 40 GDBB CNS(=O)(=O)c1ccc(Nc2cnn(C[C@@H]3CCCO3)c2)c([N+](=O)[O-])c1 40139275 RWZOOEBHSNOKEQ-LBPRGKRZSA-N 381.414 1.622 5 40 GDBB CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 84240624 XOMCEAZQCYHLRD-ZDUSSCGKSA-N 390.444 1.888 5 40 GDBB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 408621811 OEUQHGCPSQOHDX-MCKLEBTQSA-N 381.388 1.895 5 40 GDBB O=C(COC(=O)CNS(=O)(=O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 32824398 AGDPHXCQUGVJKC-UHFFFAOYSA-N 399.406 1.117 5 40 GDBB C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CS2 6911724 CKFJBNPREGTYKB-CRAIPNDOSA-N 390.465 1.697 5 40 GDBB O=C(OCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc([N+](=O)[O-])cc1 3211284 OUYIIBZEOMSBEI-UHFFFAOYSA-N 385.288 1.956 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N[C@]1(O)C(F)(F)F 57531263 VXPATSMURSPXPK-OPQQBVKSSA-N 377.275 1.379 5 40 GDBB CC(=O)c1ccc(N2CCN(CCNC(=O)c3ccco3)CC2)c([N+](=O)[O-])c1 24865523 MDHMMPFNPNFVBU-UHFFFAOYSA-N 386.408 1.942 5 40 GDBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(N)=O)n[nH]1 409155586 LUKQRKGBBQMXNL-GFCCVEGCSA-N 378.414 1.417 5 40 GDBB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1ccccc1[N+](=O)[O-] 30063938 UEZFYULITAYWJG-UHFFFAOYSA-N 389.433 1.977 5 40 GDBB Cc1nnc(Sc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])n1N 22024881 ZYEGERYGOVVKNN-UHFFFAOYSA-N 386.459 1.437 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 4086344 XHAVSRIVCHTHDE-OPQQBVKSSA-N 393.343 1.544 5 40 GDBB C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 9744002 WGHSNKBSYLRTCI-NSHDSACASA-N 382.336 1.755 5 40 GDBB Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(N2CCCC2)c1[N+](=O)[O-] 20267288 AVMRBSQWICZTDP-UHFFFAOYSA-N 383.456 1.889 5 40 GDBB COc1ccc(Nc2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])cc1 20441132 ZWXCODBHEAEFPV-UHFFFAOYSA-N 389.416 1.463 5 40 GDBB C/C=C1\C[C@H]2[C@@H](O)[C@]34Nc5ccccc5[C@@]3(CC[N+]4(C)C1)[C@]2(CO)C(=O)OC 100393399 PPJZICORVBPYAP-KOFPMIRNSA-N 385.484 1.389 5 40 GDBB biogenic,in-vitro O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1[N+](=O)[O-] 6528636 AOJIMDBQMIXEBL-UHFFFAOYSA-N 391.405 1.868 5 40 GDBB Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)c3ccccc3[N+](=O)[O-])oc(C)c12 9713882 HMEIEZPOGDSUND-UHFFFAOYSA-N 386.320 1.837 5 40 GDBB Cc1nn(CC(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1[N+](=O)[O-] 8684968 KZPVCLLDODLPBZ-NSHDSACASA-N 391.340 1.887 5 40 GDBB CCN(C(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 6891408 LAWYSQJKVXDBBO-NPQIQWPPSA-N 396.421 1.187 5 40 GDBB CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N[C@]1(O)C(F)(F)F 4387373 BVBNHNYFVGUWBH-GBIKHYSHSA-N 377.275 1.379 5 40 GDBB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 2318736 MQZSVWVJONYPDK-OGRXGRENSA-N 384.344 1.128 5 40 GDBB CCN(CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@H](C)O[C@H](C)C2)n1 5219437 NANWNXWJRQAMML-BETUJISGSA-N 381.481 1.724 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N(CCOC)CCOC)c([N+](=O)[O-])c1 15206908 JVEYFCROOSYQDB-UHFFFAOYSA-N 389.474 1.725 5 40 GDBB O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 408614282 AMJWZRIMJVAIAR-UHFFFAOYSA-N 398.419 1.909 5 40 GDBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 16429261 ZKEPKAPSDVMRKT-UHFFFAOYSA-N 387.377 1.656 5 40 GDBB CC[N@+]1([O-])CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC 247887993 LLIKIPAUZJTRGB-ODXCJYRJSA-N 385.486 1.298 5 40 GDBB in-vitro COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1OC 102550474 RVJLFDUNQAHSQX-DOTOQJQBSA-N 397.343 1.905 5 40 GDBB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1 10646944 XCKRLZCPEHCLKA-UHFFFAOYSA-N 379.350 1.038 5 40 GDBB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 40130816 WYAKESDANKVBQH-GFCCVEGCSA-N 385.442 1.994 5 40 GDBB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4505350 JHOHAXZJARWCFF-ZDUSSCGKSA-N 376.456 1.429 5 40 GDBB CN1CCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1 13041873 AVYOXRULIZVXQJ-UHFFFAOYSA-N 382.486 1.911 5 40 GDBB Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1ccccc1[N+](=O)[O-] 102915467 SGSFASHMCRHUPV-UHFFFAOYSA-N 392.418 1.775 5 40 GDBB O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H](O)COCc1ccc2c(c1)OCO2 9690787 UMABVJKIIVQGSF-CQSZACIVSA-N 399.359 1.611 5 40 GDBB CSc1n[nH]c(-n2ccc3nc4ccn(CCN(C)C)c(=O)c4cc3c2=O)n1 40398873 YWLOXXXSRAUEAW-UHFFFAOYSA-N 397.464 1.102 5 40 GDBB COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N)n3)CC2)cc1 32826096 CTHFOLNYPQXFLA-UHFFFAOYSA-N 393.425 1.092 5 40 GDBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 4583359 GLKNCVZDCJIVOS-UHFFFAOYSA-N 398.423 1.184 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(=O)n(CCOc2cccc([N+](=O)[O-])c2)c1 40116944 BJOIYGHLHWSRAA-UHFFFAOYSA-N 395.437 1.866 5 40 GDBB COc1ncccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 58051131 ISNXQCWSAXYERY-LBPRGKRZSA-N 388.355 1.807 5 40 GDBB CS(=O)(=O)NC1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 585140087 JOALXZLHAGORSY-UHFFFAOYSA-N 399.472 1.835 5 40 GDBB CCOc1ccc(NC(=O)C[C@@H](NC[C@@H]2CCCO2)C(=O)O)c([N+](=O)[O-])c1 10434218 ZGEBXOOETXACNW-GXTWGEPZSA-N 381.385 1.544 5 40 GDBB COc1ccc2c3c1O[C@@H]1[C@]34CCN(C=O)[C@@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([N+](=O)[O-])C2 100393512 HPDRZNAVNJHXRU-QYUJZOPQSA-N 398.415 1.471 5 40 GDBB biogenic,in-vitro O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 101048402 HJSZGCVBLOWSJA-HIFRSBDPSA-N 382.288 1.796 5 40 GDBB N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1CCCO 102626706 AOCFAZPMCZNHCS-UHFFFAOYSA-N 395.463 1.574 5 40 GDBB CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 29027595 MUEPJOFNEVFZMS-UHFFFAOYSA-N 376.457 1.920 5 40 GDBB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 224195868 WUDOBLUWJLHXPA-UHFFFAOYSA-N 393.421 1.654 5 40 GDBB CCN(C(=O)COC(=O)c1cccc(C)c1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 5228075 WSXHNINDJJLKFR-LBPRGKRZSA-N 384.410 1.096 5 40 GDBB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 245285220 WLQFISPYPOHSQN-SRTKAIALSA-N 394.380 1.930 5 40 GDBB O=C(/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)n1ccccc1=O)N1CCOCC1 4592126 NRKAOQGFRSUPMV-OQLLNIDSSA-N 399.359 1.342 5 40 GDBB CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCCOCC)c1=N 16742606 HGMQQQYXRXDBDK-UHFFFAOYSA-N 383.452 1.613 5 40 GDBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 53166673 QMTRUIFIEDYCEY-UHFFFAOYSA-N 388.380 1.593 5 40 GDBB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2)c([N+](=O)[O-])c1 28246438 MOCVDOIYLOOVBB-UHFFFAOYSA-N 385.423 1.646 5 40 GDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C/c3nc(O)nc(O)c3[N+](=O)[O-])cc21 408526896 CSZGRSGOVUOZDZ-ONEGZZNKSA-N 388.296 1.065 5 40 GDBB COc1cc(C2N3CC4([N+](=O)[O-])CN2CC([N+](=O)[O-])(C3)C4(C)C)ccc1O 19321168 LQOIDXJQLJOPHU-UHFFFAOYSA-N 378.385 1.101 5 40 GDBB CCOc1ccc(NC(=O)C[C@@H](NC[C@H]2CCCO2)C(=O)O)c([N+](=O)[O-])c1 10434222 ZGEBXOOETXACNW-TZMCWYRMSA-N 381.385 1.544 5 40 GDBB Nc1nc(NCCCN2CCOCC2)nc(N2CCCCCC2)c1[N+](=O)[O-] 20479642 TZDUOXQLJQZPJI-UHFFFAOYSA-N 379.465 1.482 5 40 GDBB Cc1cc(C)c(S(=O)(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 3175947 ASOYOFUYFYVHEC-DLBZAZTESA-N 394.449 1.893 5 40 GDBB O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 2055827 YGKDQADOLULHGR-UHFFFAOYSA-N 378.362 1.299 5 40 GDBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccnc(N(C)C)n2)CC1 72292433 FLUXDKFKJZZLKV-UHFFFAOYSA-N 386.412 1.564 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 31885574 FZHUCRRGJFEJDI-UHFFFAOYSA-N 395.393 1.769 5 40 GDBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(=O)N1CCCC1=O 5935531 BYFNNODCYCBVIU-UHFFFAOYSA-N 389.286 1.718 5 40 GDBB CCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 6351290 OYZPLXBBWLOZTE-UHFFFAOYSA-N 386.364 1.687 5 40 GDBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]2C(=O)N1c1ccc2c(c1)OCO2 103610263 WOCJGMGYXGLURX-GOEBONIOSA-N 381.300 1.616 5 40 GDBB 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Cn1c(=O)c2c(nc(Br)n2Cc2ccc([N+](=O)[O-])cc2)n(C)c1=O 1083730 IVNJVHCRNSNINV-UHFFFAOYSA-N 394.185 1.153 5 40 GDBB CCOc1ccc(NC(=O)C[C@H](NC[C@@H]2CCCO2)C(=O)O)c([N+](=O)[O-])c1 10434216 ZGEBXOOETXACNW-JSGCOSHPSA-N 381.385 1.544 5 40 GDBB NC(=O)c1cccnc1N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 58136049 ZOFCKQKIYLLLPY-UHFFFAOYSA-N 378.392 1.964 5 40 GDBB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 198709640 GHKRJVPOBCTFMV-DMAMZFHHSA-N 375.768 1.994 5 40 GDBB C[C@H]1C[C@@H](C)CN(c2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C1 13787248 NEICZCYPVJXYTM-OKILXGFUSA-N 393.492 1.584 5 40 GDBB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 408680738 DVUMLROWZTVIHI-UHFFFAOYSA-N 393.381 1.655 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NC1CCN(C)CC1)S(C)(=O)=O 220397959 TTZATJHVDIRHKN-CYBMUJFWSA-N 398.485 1.268 5 40 GDBB C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C[C@@H]2[C@H]2N=NN(c3ccc([N+](=O)[O-])cc3)[C@H]12 100123200 XKMNRBHVUONMEI-VBYROINWSA-N 399.363 1.243 5 40 GDBB O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC(CN2CCOCC2)CC1 48312088 JBJOFCBIYOIHPQ-UHFFFAOYSA-N 376.413 1.504 5 40 GDBB CN(C)C(=O)NCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 95458349 PRJJNFXTJHLDCH-UHFFFAOYSA-N 384.336 1.571 5 40 GDBB COC(=O)[C@@H](CCSC)NC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1 41154592 VKISHSRZGPTYEP-CYBMUJFWSA-N 383.426 1.126 5 40 GDBB COc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])cc1OC 8861214 ATMQNLIVILYWJV-UHFFFAOYSA-N 381.366 1.512 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NC1CCN(C)CC1)S(C)(=O)=O 220397899 TTZATJHVDIRHKN-ZDUSSCGKSA-N 398.485 1.268 5 40 GDBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 32654945 IRCJYCADVCFGNR-OAHLLOKOSA-N 376.413 1.165 5 40 GDBB Cc1nn(CC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-] 8328948 URYZPHVOUNTHMD-HNNXBMFYSA-N 398.485 1.757 5 40 GDBB CCOC(=O)C1=C(COC(=O)Cc2ccccc2[N+](=O)[O-])NC(=O)N[C@@H]1C 23078818 NIEKBKHQTNJZOR-SNVBAGLBSA-N 377.353 1.199 5 40 GDBB COCC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 95999575 CUVIXXCPFUWENL-LBPRGKRZSA-N 399.411 1.935 5 40 GDBB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)no1 138941225 PTBZKEDNUHHMQA-UHFFFAOYSA-N 376.325 1.792 5 40 GDBB COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 8729445 WSNQFJCACZHLRW-UHFFFAOYSA-N 380.378 1.972 5 40 GDBB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 24828496 ZECJORBCRZUTQN-UHFFFAOYSA-N 392.437 1.899 5 40 GDBB COc1ccc(OC[C@@H](O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 4550619 IGUCAOBXOBJUGS-ZDUSSCGKSA-N 376.365 1.782 5 40 GDBB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1[N+](=O)[O-] 14208783 QQXJNJUGWPSLAC-CQSZACIVSA-N 397.453 1.163 5 40 GDBB O=C1CCCN1c1ccc(S(=O)(=O)NCCCn2ccc([N+](=O)[O-])n2)cc1 36614685 RINCRHYSFIUZBO-UHFFFAOYSA-N 393.425 1.287 5 40 GDBB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc([N+](=O)[O-])cc1 71980280 VMUZBOIGDHGXCX-HNNXBMFYSA-N 377.397 1.723 5 40 GDBB NS(=O)(=O)Cc1cccc(CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1 58218114 MYROODJRIANATC-UHFFFAOYSA-N 389.393 1.003 5 40 GDBB NS(=O)(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2739469 OQWACDVAACYOSV-UHFFFAOYSA-N 380.338 1.332 5 40 GDBB CCOc1ccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc1[N+](=O)[O-] 408622507 PRPHQRJXWIOWSU-UHFFFAOYSA-N 393.429 1.763 5 40 GDBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)N1CCCCC1 11778420 KHALUOMCLKEBJQ-STQMWFEESA-N 377.397 1.657 5 40 GDBB CS(=O)(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@@H]1c1ccc([N+](=O)[O-])cc1 19879756 GGKMXXBCNZBDMI-GFCCVEGCSA-N 384.366 1.157 5 40 GDBB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 8191502 FHRLEPIUADWSMX-AWEZNQCLSA-N 379.438 1.784 5 40 GDBB CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 6562837 SRSZVSHFZCCQCE-UHFFFAOYSA-N 396.469 1.438 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nnnn1-c1ccc(F)cc1 12180690 JYHNFKATCGKHAT-UHFFFAOYSA-N 392.372 1.497 5 40 GDBB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)CC1 20798758 QGPOHULWFLPQSG-MRXNPFEDSA-N 389.408 1.810 5 40 GDBB CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 223279736 IWHKIILAJQOXRU-UHFFFAOYSA-N 379.394 1.829 5 40 GDBB CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])CC2 559027974 SKKPJZXAKMVWMD-LBPRGKRZSA-N 376.442 1.901 5 40 GDBB O=C(CSc1nnc2[nH]cnn12)Nc1nc2cc([N+](=O)[O-])ccc2s1 3117169 NIRFYJCDBGWEBJ-UHFFFAOYSA-N 376.383 1.701 5 40 GDBB Cc1cc(C(=O)OCCNC2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 3583276 TZJFFPYHPUFBAK-UHFFFAOYSA-N 389.389 1.799 5 40 GDBB COc1cc(/C=C/C(=O)N2CCN(C(C)=O)CC2)c([N+](=O)[O-])cc1OC(F)F 32901448 RLPFLPGJBHDQAZ-ONEGZZNKSA-N 399.350 1.909 5 40 GDBB COC(=O)[C@@H](CCSC)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 41154558 VKIZFGFKEYIXBF-CYBMUJFWSA-N 383.426 1.126 5 40 GDBB O=C1c2ccccc2C(=O)N1CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O 57926483 YXXWXBWCNPGGCA-UHFFFAOYSA-N 378.344 1.991 5 40 GDBB COc1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1S(N)(=O)=O 12636204 LDDOPQGPMADUFU-UHFFFAOYSA-N 399.356 1.407 5 40 GDBB COc1ccc(NC(=O)CN(C)C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 12861591 CPBSTCHZKJXXMS-UHFFFAOYSA-N 375.385 1.514 5 40 GDBB CC(C)N1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)NC1=S 8741342 JJYZCPASXGQEHB-KDOFPFPSSA-N 388.449 1.758 5 40 GDBB NC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 23074648 HHPMUQZUTRIMQV-UHFFFAOYSA-N 398.375 1.385 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2CN[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 26817824 WHNKKZPZINDTMQ-QROBEVECSA-N 392.371 1.460 5 40 GDBB O=C1[C@H]2C(c3cccc([N+](=O)[O-])c3)=NO[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 103560560 HJSZGCVBLOWSJA-DZGCQCFKSA-N 382.288 1.796 5 40 GDBB CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 48306207 JKIFXGZLXVGULN-UHFFFAOYSA-N 389.433 1.961 5 40 GDBB Cc1nn(CN2CCN(c3nnnn3-c3ccccc3)CC2)c(C)c1[N+](=O)[O-] 25476509 HDMUJIDFQXIHEU-UHFFFAOYSA-N 383.416 1.164 5 40 GDBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O 4033832 BPERSCOKKLQDMA-UHFFFAOYSA-N 388.286 1.965 5 40 GDBB CCOc1cccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)c1OCC(=O)OC 408605262 LKFVAIIWHZHYKT-BQYQJAHWSA-N 391.336 1.917 5 40 GDBB CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-])C(N)=O 107527851 XDKPHLIEISNMSC-BLLLJJGKSA-N 398.485 1.937 5 40 GDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1C 45811042 BSAYFXIEKZEPTJ-ZDUSSCGKSA-N 388.467 1.552 5 40 GDBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)NC1CCCCC1 6532996 QACXETKTYWUEJF-LBPRGKRZSA-N 379.413 1.993 5 40 GDBB CC(=O)N1CCN(c2ccc(C(=O)Nc3ncc(C)cn3)cc2[N+](=O)[O-])CC1 89702267 UIBZNFCTTFIJSP-UHFFFAOYSA-N 384.396 1.614 5 40 GDBB O=C(NCCc1ccc(F)cc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 24841197 NDLUFFBYIFOILT-SJORKVTESA-N 377.372 1.670 5 40 GDBB CS(=O)(=O)NC1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 585140032 UDVRVQGORSGYEG-UHFFFAOYSA-N 399.472 1.835 5 40 GDBB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)C1 14607422 PCXQYXMRQBGWBN-CZUORRHYSA-N 389.408 1.810 5 40 GDBB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 4505332 CLVHJSLXBXZGAP-CYBMUJFWSA-N 376.456 1.573 5 40 GDBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 25348041 VMTCOBOXIMOJKN-UHFFFAOYSA-N 390.440 1.372 5 40 GDBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccs2)cc1[N+](=O)[O-] 3293911 UMPSIUDPKJJLSG-UHFFFAOYSA-N 398.418 1.533 5 40 GDBB O=C(CCn1c(=O)oc2ccccc21)N[C@H]1CCc2ncc([N+](=O)[O-])cc2C1 95996816 KANHNCBNVVWHQP-ZDUSSCGKSA-N 382.376 1.962 5 40 GDBB NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 365629068 RVPKRWUJPNWLSB-GFCCVEGCSA-N 385.445 1.574 5 40 GDBB COc1ccc(Nc2ncccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 25369513 YIPVJWWZKUCQFU-UHFFFAOYSA-N 394.409 1.763 5 40 GDBB CCN(CCCNc1c(Br)cncc1[N+](=O)[O-])S(C)(=O)=O 95443281 FOSIEIKTHXKILX-UHFFFAOYSA-N 381.252 1.836 5 40 GDBB Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 40106604 JVWHDAYPLMJOGE-UHFFFAOYSA-N 399.407 1.642 5 40 GDBB NS(=O)(=O)c1cc([N+](=O)[O-])c(NC[C@@H](O)COc2ccc(F)cc2)s1 78809052 SEHXMBCFFFUBNU-SECBINFHSA-N 391.402 1.295 5 40 GDBB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccccc1[N+](=O)[O-] 5242369 QACDXXBJOJANSX-GFCCVEGCSA-N 387.348 1.718 5 40 GDBB O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 2125807 OXUCHEXFCAXUIP-UHFFFAOYSA-N 389.389 1.880 5 40 GDBB CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4839236 INTFPDIPGRTFEC-ZDUSSCGKSA-N 379.413 1.749 5 40 GDBB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 28005708 BLTURAZOAPAXEO-CYBMUJFWSA-N 399.359 1.801 5 40 GDBB COC(CN(CCCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)OC 96007192 NKEYRBULMYJRGB-UHFFFAOYSA-N 375.809 1.490 5 40 GDBB CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=N 100753606 SHCAFKAULMEURD-UHFFFAOYSA-N 383.452 1.612 5 40 GDBB biogenic C[C@@H](OC(=O)N[C@@H](CCCP(=O)(O)O)C(=O)O)c1ccccc1[N+](=O)[O-] 213214539 RLEANJAZNZWLHC-KOLCDFICSA-N 390.285 1.793 5 40 GDBB Cc1ccc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)nc2)cc1[N+](=O)[O-] 23055521 ZUKWLWDZMYNCRB-UHFFFAOYSA-N 381.352 1.247 5 40 GDBB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9130080 JCDKSHHNFYVXKC-UHFFFAOYSA-N 391.814 1.696 5 40 GDBB CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409002502 NVXVLFPIRHDKCO-LBPRGKRZSA-N 395.368 1.089 5 40 GDBB C/C=C1\C[C@H]2[C@@H](O)[C@@]34Nc5ccccc5[C@@]3(CC[N@+]4(C)C1)[C@]2(CO)C(=O)OC 253403226 PPJZICORVBPYAP-GLTGKYAISA-N 385.484 1.389 5 40 GDBB biogenic,in-vitro C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCCO2)CC1 33039549 FDUBTWMEQNRKNQ-CJNGLKHVSA-N 376.413 1.245 5 40 GDBB O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1Sc1nnnn1-c1ccccc1 16523864 ZMRLSMSFDXVQDB-UHFFFAOYSA-N 379.379 1.968 5 40 GDBB O=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)C(=O)Nc1ccccc1[N+](=O)[O-] 16958063 PNHQNBDCSFFZGR-UHFFFAOYSA-N 397.303 1.902 5 40 GDBB O=C(NCc1ccc(-n2cncn2)nc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 58163427 DUTYOONNHDJJOU-UHFFFAOYSA-N 390.363 1.686 5 40 GDBB O=C1c2ccccc2S(=O)(=O)NN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 9254678 KHIONKDWUYPDJK-UHFFFAOYSA-N 391.361 1.311 5 40 GDBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8646160 YVGXOCAMQGTOEV-IBGZPJMESA-N 397.343 1.973 5 40 GDBB O=C(CCS(=O)(=O)C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 48339752 MZIQJEZZFMMASB-UHFFFAOYSA-N 396.469 1.386 5 40 GDBB O=c1/c(=C/C=C/c2ccco2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2 5452088 ZYKDTWBVTUILJT-VVIWHBMQSA-N 382.401 1.960 5 40 GDBB O=C(Nc1ccccc1)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 6595362 HSLPEIABCKIJIC-GOEBONIOSA-N 391.405 1.357 5 40 GDBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 9335229 ASXWMADQFXKQRM-UHFFFAOYSA-N 391.361 1.387 5 40 GDBB NS(=O)(=O)c1ccc(NC[C@@H]([C@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 48264404 KAOSVLWBYWUPNY-LRDDRELGSA-N 384.458 1.155 5 40 GDBB C[C@@H]1CCCCN1CN1C(=O)C2(OCC(CO)([N+](=O)[O-])CO2)c2ccccc21 16609003 PRODOLANEOQDFL-FTXHTYHOSA-N 391.424 1.073 5 40 GDBB O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCCCOCCO)c1 95468728 ULWQNKKQPRZHAY-UHFFFAOYSA-N 383.220 1.035 5 40 GDBB Cn1nnnc1Sc1ccc(C(=O)NCCc2ccccn2)cc1[N+](=O)[O-] 9130920 LPEKCXIVLWZVCG-UHFFFAOYSA-N 385.409 1.637 5 40 GDBB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)C1 14607407 KBTHNUZDYJSDRQ-IUODEOHRSA-N 375.381 1.502 5 40 GDBB CC(C)(C)c1nc(CN2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)no1 79076515 IPTADMKCKMUOLP-UHFFFAOYSA-N 389.416 1.091 5 40 GDBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(Cc2nc3ccccc3[nH]2)CC1 89866486 QCQQOQKJOWATSK-UHFFFAOYSA-N 381.396 1.287 5 40 GDBB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 12390441 NUQCANROCFRRCH-UHFFFAOYSA-N 390.359 1.947 5 40 GDBB Cc1nn(CC(=O)NCCCNC(=O)c2cccc(O)c2)c(C)c1[N+](=O)[O-] 58161890 UKSQRLDIHDPDBE-UHFFFAOYSA-N 375.385 1.050 5 40 GDBB CCOC(=O)C1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 12905403 XFTJVYHMZYSQHC-UHFFFAOYSA-N 377.397 1.516 5 40 GDBB O=C(NC[C@H]1CCCO1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12918896 ZQIKUIRBPNKYJF-ZBFHGGJFSA-N 397.453 1.433 5 40 GDBB CNS(=O)(=O)c1ccc(N(C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 22814434 QOHDUOMGSGERFG-UHFFFAOYSA-N 379.394 1.868 5 40 GDBB CC(=O)O[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)OC[C@@H](OC(C)=O)[C@@H]1OC(C)=O 245231275 AUBLYQAWASNETD-QZWWFDLISA-N 396.352 1.158 5 40 GDBB CS(=O)(=O)c1ccc(C(=O)OCc2nccn2C(F)F)cc1[N+](=O)[O-] 12547290 VXBZZIVFFMFWOP-UHFFFAOYSA-N 375.309 1.947 5 40 GDBB O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)NCCC1=CCCCC1 3367195 QFRAEFLVLXAMOM-UHFFFAOYSA-N 389.408 1.875 5 40 GDBB C[C@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 12764867 RLAUBMSDBTYETJ-LBPRGKRZSA-N 396.359 1.875 5 40 GDBB Cc1nc(N2CCN(Cc3ccccc3)CC2)nc(N2CCOCC2)c1[N+](=O)[O-] 38488491 IZUWCUNNBXAGNC-UHFFFAOYSA-N 398.467 1.852 5 40 GDBB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 3336654 ZSESKUWEPKWHPH-UHFFFAOYSA-N 395.393 1.343 5 40 GDBB CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 40058312 MCZLXMSPCLMNDJ-LBPRGKRZSA-N 395.441 1.608 5 40 GDBB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 102116890 FARSZTSNMLECKS-OKILXGFUSA-N 389.364 1.252 5 40 GDBB COc1ccc(Nc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])cn1 33014433 SXNIFRPUWMUBKY-UHFFFAOYSA-N 395.441 1.582 5 40 GDBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-] 22413650 KPIWUAOYNHWRLR-UHFFFAOYSA-N 396.469 1.815 5 40 GDBB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 33892653 WLQFISPYPOHSQN-PAURTPPISA-N 394.380 1.930 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N(C)[C@]1(O)C(F)(F)F 57531315 FZBUQKUKCOBWOJ-MISXGVKJSA-N 391.302 1.721 5 40 GDBB CCNC(=S)NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CC 16219235 DOKNXTJCDRUQBU-UHFFFAOYSA-N 375.476 1.436 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859219 QOHLVTLPOCXGIL-MJVIPROJSA-N 391.302 1.721 5 40 GDBB C[C@@H]1C[C@@H](C)CN(c2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C1 20392132 SNGVLDSKPBHPHY-CHWSQXEVSA-N 379.465 1.193 5 40 GDBB CNS(=O)(=O)c1ccc(Sc2nc([C@H]3CCCO3)n[nH]2)c([N+](=O)[O-])c1 12847814 OGNCBPBIYUAOLU-SNVBAGLBSA-N 385.427 1.624 5 40 GDBB C[C@H]1CCc2c(sc(NC(=O)CCCn3cnc([N+](=O)[O-])n3)c2C(N)=O)C1 4176536 HXEIHZIYVZBTHT-VIFPVBQESA-N 392.441 1.890 5 40 GDBB CC(=O)O[C@H]1CO[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 6073949 AUBLYQAWASNETD-HZMVEIRTSA-N 396.352 1.158 5 40 GDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC(=O)NCC(F)(F)F 58166694 FPOXIEAYEOCSGH-UHFFFAOYSA-N 376.335 1.842 5 40 GDBB Cc1cccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c1[N+](=O)[O-] 36763003 BQHJAHOMBNRJNT-UHFFFAOYSA-N 393.407 1.841 5 40 GDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cc([N+](=O)[O-])ccc1F 3598712 HPCGSNVSXDYLGV-UHFFFAOYSA-N 388.267 1.877 5 40 GDBB COc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1[N+](=O)[O-] 12817015 OHTUAKLAYYWMOO-UHFFFAOYSA-N 399.469 1.873 5 40 GDBB CC(=O)c1ccc(NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 40091247 YIGDJMUXJPGDKC-RYUDHWBXSA-N 385.442 1.648 5 40 GDBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CC[C@H](C(CO)CO)C1 72310950 DMMQFXHUACDHKQ-VIFPVBQESA-N 398.359 1.315 5 40 GDBB CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O 72313128 RMLNYKUAIHGDBI-VIFPVBQESA-N 375.790 1.062 5 40 GDBB COC(=O)CCN(CC(OC)OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 95943769 PJFIPJACUOOCDP-UHFFFAOYSA-N 390.414 1.076 5 40 GDBB O=C(CNC(=O)c1cccs1)NCC(=O)OCc1cccc([N+](=O)[O-])c1 6526545 OGZNRRUAWVXCDZ-UHFFFAOYSA-N 377.378 1.246 5 40 GDBB O=[N+]([O-])C(c1nnn(Cc2ccccc2)c1-c1ccccc1)([N+](=O)[O-])[N+](=O)[O-] 100863795 YEVZGYXCTWKVJK-UHFFFAOYSA-N 384.308 1.934 5 40 GDBB C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100535227 BTWSFRYVPCVJKN-OELWXQPESA-N 398.371 1.516 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 951737 QOHLVTLPOCXGIL-MISXGVKJSA-N 391.302 1.721 5 40 GDBB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O 12634636 RCLIAXSQLFKAJT-UHFFFAOYSA-N 392.368 1.187 5 40 GDBB CS(=O)(=O)c1ccc(NCC(=O)NCCc2ccccc2)c([N+](=O)[O-])c1 12609070 XDSHQEKKILRYBP-UHFFFAOYSA-N 377.422 1.769 5 40 GDBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)c1 408651539 GSQDJSDCSMCAGP-WWDLPEHNSA-N 390.348 1.283 5 40 GDBB O=C1C[C@H](C(F)(F)F)N(C(=O)Cn2cnnc2[N+](=O)[O-])c2ccccc2N1 40151926 AXAQXQDYARFOPV-SNVBAGLBSA-N 384.274 1.493 5 40 GDBB CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1[N+](=O)[O-] 100249839 CYOYVDVFHOPVJH-ZDUSSCGKSA-N 388.332 1.298 5 40 GDBB biogenic,in-vitro C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 12592454 YPEOETGKVXFVSJ-KBPBESRZSA-N 384.458 1.071 5 40 GDBB NS(=O)(=O)c1ccc(CCNC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1 3572616 OKSJXTIWPVMYPR-UHFFFAOYSA-N 397.384 1.119 5 40 GDBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)c(OC)c1 103550280 DEPZQMSFQVKPSE-RDJZCZTQSA-N 397.343 1.905 5 40 GDBB Cn1cnc([N+](=O)[O-])c1N1CCN(CC(=O)N2CCCc3ccccc32)CC1 31790536 SVNZIVWWJHOAIH-UHFFFAOYSA-N 384.440 1.430 5 40 GDBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N[C@H]1CCS(=O)(=O)C1 9612531 IENODVCUVVMOSK-QMMMGPOBSA-N 387.464 1.600 5 40 GDBB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9120544 WYFQVKUEACOSDI-UHFFFAOYSA-N 395.379 1.659 5 40 GDBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 7541289 VLCNSBRGFAKEOY-CYBMUJFWSA-N 384.410 1.160 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 6439212 ZQMXZPKKTGFRJZ-COPLHBTASA-N 391.302 1.721 5 40 GDBB CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC[C@H]1CCCO1 20051747 FMDLUHIGHRWGMK-CYBMUJFWSA-N 381.436 1.892 5 40 GDBB O=c1[nH]c(=O)c2ccc3c(=O)n(-c4ccccc4[N+](=O)[O-])c(=O)c4ccc1c2c43 227116738 RBNBYIILLCNEST-UHFFFAOYSA-N 387.307 1.490 5 40 GDBB CN1C(=O)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(=O)C12CCCCC2 24098397 LJNTWTWCHZIRLA-CQSZACIVSA-N 377.397 1.931 5 40 GDBB O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 6927030 UUMWRMDKDZQALD-CYBMUJFWSA-N 394.405 1.783 5 40 GDBB O=C([C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1)N1CCOCC1 8116348 CQERTVYTULVXSG-GOSISDBHSA-N 397.387 1.861 5 40 GDBB O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]12 8997280 DBMWSCRZFDQJCQ-KSSFIOAISA-N 386.433 1.512 5 40 GDBB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc([N+](=O)[O-])c1 71980282 KTXCHTFQGLOVBW-HNNXBMFYSA-N 377.397 1.723 5 40 GDBB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1 101126929 LRQXDKAQYSRKPX-OAFZBRQQSA-N 393.392 1.761 5 40 GDBB Cn1c(NC2CCCC2)nc2c1c(=O)n(Cc1ccc([N+](=O)[O-])cc1)c(=O)n2C 1315872 IYFGYGVFJINCKI-UHFFFAOYSA-N 398.423 1.745 5 40 GDBB O=C(Cn1cc([N+](=O)[O-])cn1)NCCNC(=O)c1ccc(Cl)c(Cl)c1 27457303 TYRRSIYARXAKBF-UHFFFAOYSA-N 386.195 1.644 5 40 GDBB Cc1c(C(=O)N(C)C)sc2ncn3nc(Cn4cc([N+](=O)[O-])cn4)nc3c12 2791345 DBHMLFWBEGLWQH-UHFFFAOYSA-N 386.397 1.502 5 40 GDBB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cc([N+](=O)[O-])ccc1F 69585928 MJJTUQQZOCVEKE-MLGOLLRUSA-N 382.392 1.593 5 40 GDBB COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1SC(N2CCOCC2)=NC1=O 9962057 GNVYPWIZIMWLBT-ZDUSSCGKSA-N 394.409 1.262 5 40 GDBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NCCN1CCOCC1 20547698 QWBZTVXONDRURF-UHFFFAOYSA-N 382.416 1.773 5 40 GDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OC[C@@H](O)CN1CCCC1 8156434 UDIIDIJSTCYEIE-AWEZNQCLSA-N 399.469 1.215 5 40 GDBB Cc1ccc(C)c(OC[C@@H](O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1C 12904343 RCNWOARMPDOECO-AWEZNQCLSA-N 375.381 1.221 5 40 GDBB CCOC(=O)CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 21741059 VRNDUUFUAVJILT-UHFFFAOYSA-N 383.382 1.641 5 40 GDBB COC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c1 23144630 YUNJYBLDWTZNGO-UHFFFAOYSA-N 395.393 1.586 5 40 GDBB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])ccc1Cl 71980089 QXKBGCLYWNPQCH-ZDUSSCGKSA-N 383.788 1.596 5 40 GDBB Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)Cc1ccnc(N(C)C)n1 95984189 WFJNCDLTLRBGQG-UHFFFAOYSA-N 379.442 1.888 5 40 GDBB Cc1cc(C(=O)NCCNC2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 3583395 NOLKYCXDXAHXKD-UHFFFAOYSA-N 388.405 1.372 5 40 GDBB O=C(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NCc1ccccc1 25055306 BNIUDQPYKJAJID-UHFFFAOYSA-N 397.435 1.743 5 40 GDBB O=C(COCc1nc2ccccc2c(=O)[nH]1)NCCNc1ccc([N+](=O)[O-])cc1 33180401 SSGKIFLXKYBMQO-UHFFFAOYSA-N 397.391 1.576 5 40 GDBB Cc1c(NC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cccc1[N+](=O)[O-] 58086155 XBJBSSALICEEPA-PBHICJAKSA-N 378.429 1.762 5 40 GDBB COCCCn1c(=N)c(C(=O)NC(C)(C)C)cc2c(=O)n3ccccc3nc21 101101789 MSLAKWLAGHFXBB-UHFFFAOYSA-N 383.452 1.693 5 40 GDBB COC(=O)c1ccccc1N1C(=O)[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 103530532 IUEZNBBMNDWXAK-GDBMZVCRSA-N 395.327 1.674 5 40 GDBB CCCCn1c(=O)[nH]c(=O)c2c1nc(Cn1c([N+](=O)[O-])cnc1C)n2CC 64332249 UCUCOPYISCCQQH-UHFFFAOYSA-N 375.389 1.168 5 40 GDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CC[C@@H](C(F)(F)F)[C@@H](CN)C3)cc21 600951597 FVGJOVQNKNCVFM-VHSXEESVSA-N 387.362 1.749 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)NC1 12998825 NQXRRJQUYMSTPW-UHFFFAOYSA-N 383.744 1.535 5 40 GDBB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])c[nH]c1=O 14199551 APQCEJKGCICSSS-ZDUSSCGKSA-N 378.410 1.148 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2nc(C)n[nH]2)c([N+](=O)[O-])c1 72307709 GRQNUUDSOJCMDU-UHFFFAOYSA-N 382.446 1.688 5 40 GDBB O=C(NCc1ccc(-n2cccn2)nc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 58378130 QHLREXWDHIVYGX-UHFFFAOYSA-N 381.348 1.877 5 40 GDBB CC(=O)N[C@@H]1[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O[C@H]2OC(C)(C)O[C@@H]21 5082712 HENQUDGAVMXGIQ-NHIYQJMISA-N 380.353 1.133 5 40 GDBB CN(C[C@H]1COc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 12635286 DBOKEDNZZJRKEP-NSHDSACASA-N 379.394 1.518 5 40 GDBB COC(=O)CNC(=O)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 79016231 UUVMIAHLUBWWKM-UHFFFAOYSA-N 386.364 1.261 5 40 GDBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@@]1(CO)C=C[C@H]2O1 106361183 BPXFSCLEJBAKNO-BLTAXRJOSA-N 395.165 1.163 5 40 GDBB O=C(O)CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 2250344 KWDJFMIOFXCMQX-FOWTUZBSSA-N 383.360 1.957 5 40 GDBB Cc1nnc(Sc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])n1C 13041743 BUQTZLMXDYPJTN-UHFFFAOYSA-N 383.455 1.967 5 40 GDBB O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)c1 409329112 CVNATNIZLUCWCX-DAFODLJHSA-N 389.324 1.711 5 40 GDBB NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 12494980 KCWRCDFQECLVPH-UHFFFAOYSA-N 380.407 1.369 5 40 GDBB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 245285221 WLQFISPYPOHSQN-SSZWKKLZSA-N 394.380 1.930 5 40 GDBB C[C@H]1CN(c2ccc([N+](=O)[O-])c(C3CCOCC3)c2)CCN1S(C)(=O)=O 4959788 QTPRYKFCTUWUCT-ZDUSSCGKSA-N 383.470 1.959 5 40 GDBB Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 40151578 CPYCFHXRVGVRIW-UHFFFAOYSA-N 388.384 1.089 5 40 GDBB CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 3387935 ZGGOHCMAFRCALM-UHFFFAOYSA-N 385.423 1.646 5 40 GDBB O=C(NCCNC(=O)c1cnccn1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 7367630 RPDGXWFLRHXELJ-UHFFFAOYSA-N 398.423 1.535 5 40 GDBB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)ccc1[N+](=O)[O-] 31998308 YORKMOXCMJZWMS-UHFFFAOYSA-N 390.421 1.445 5 40 GDBB O=C(O)CCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 2270949 NANLUKQKINHVKR-KAMYIIQDSA-N 387.348 1.940 5 40 GDBB C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 12592450 YPEOETGKVXFVSJ-OKILXGFUSA-N 384.458 1.071 5 40 GDBB COC(=O)Cc1ccc(OC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 6949088 HSJDSHWKHDJTIL-UHFFFAOYSA-N 398.327 1.512 5 40 GDBB CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 24471206 JHODRLQTHJLRCS-UHFFFAOYSA-N 379.369 1.732 5 40 GDBB Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 524499588 IBILIDJZIHWSQT-UHFFFAOYSA-N 398.423 1.977 5 40 GDBB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1 8778786 UHKFQKBQSIICKA-UHFFFAOYSA-N 393.425 1.042 5 40 GDBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@@H]1CS(=O)(=O)C[C@H]1O 12139533 XURATZWXUWJWDY-HZGVNTEJSA-N 385.276 1.092 5 40 GDBB CCOC(=O)C1=C(C)NC(N)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 4786229 LBWSMVLNXYOLIR-AWEZNQCLSA-N 375.381 1.852 5 40 GDBB Cc1nnc(NC(=O)c2ccc(Sc3nnnn3C)c([N+](=O)[O-])c2)s1 3341927 MRHZGGLGQMXNNH-UHFFFAOYSA-N 378.399 1.682 5 40 GDBB O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 9613312 JOJGIMIQVDMTMU-UHFFFAOYSA-N 395.393 1.571 5 40 GDBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@H](O)CN1CCOCC1 32829095 ZFDFFUHBLUQFFO-JTQLQIEISA-N 394.306 1.627 5 40 GDBB CC(C)[C@@H](CNc1sc(S(N)(=O)=O)cc1[N+](=O)[O-])N1CCOCC1 78809045 KZPBRPXQCUQMMH-LLVKDONJSA-N 378.476 1.072 5 40 GDBB O=C1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)N1 5603628 HJVCCRAGMNKSKC-DLBZAZTESA-N 396.403 1.539 5 40 GDBB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)nc2n1 9467408 QLOAFGWWMCAOBT-UHFFFAOYSA-N 388.315 1.584 5 40 GDBB O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(N3CCCC3)[nH]c2=O)N1 19961186 WECXKDQFKFWWTG-LBPRGKRZSA-N 398.379 1.343 5 40 GDBB CCOC(=O)c1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc(=O)[nH]c1C 10213757 HLSODGVOMYAKPN-UHFFFAOYSA-N 392.393 1.894 5 40 GDBB CCCc1noc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 22757216 OZMAVSOIWIQUJE-UHFFFAOYSA-N 395.441 1.437 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 24751084 SSPLJCIIDIJQDN-GFCCVEGCSA-N 394.409 1.007 5 40 GDBB CCOC(=O)N1CCN(C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 29646599 IQDDVAJFMSHADP-ONEGZZNKSA-N 377.353 1.637 5 40 GDBB O=C(NCc1cccnc1-n1cncn1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 47122503 SBXPPOMOHDLQGC-UHFFFAOYSA-N 390.363 1.686 5 40 GDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccccc1[N+](=O)[O-] 8632661 SMDQLZCKZFCJHJ-UHFFFAOYSA-N 385.288 1.842 5 40 GDBB C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 9951071 CRTRSNKQQFQVJR-NSHDSACASA-N 379.394 1.498 5 40 GDBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O 5489683 LZCCGUGTBKWCFP-OAHLLOKOSA-N 386.408 1.937 5 40 GDBB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 408661650 GHLGEGDIUYTUKK-UHFFFAOYSA-N 376.325 1.792 5 40 GDBB O=C1NC(=O)c2cc(-c3ccc(/C=C/c4nc(O)[nH]c(=O)c4[N+](=O)[O-])o3)ccc21 8860813 BLBHRXMEEQXVDI-GORDUTHDSA-N 394.299 1.698 5 40 GDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CC[C@H](C(F)(F)F)[C@H](CN)C3)cc21 600951598 FVGJOVQNKNCVFM-ZJUUUORDSA-N 387.362 1.749 5 40 GDBB COC(=O)C1(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCCCC1 25169732 VMGCZFWMBXIRIG-UHFFFAOYSA-N 389.364 1.183 5 40 GDBB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c([N+](=O)[O-])n1 6094677 QZOXCONBOVDYGV-UHFFFAOYSA-N 394.409 1.566 5 40 GDBB CN(C(=O)CN1CCC[C@H]1C(=O)NCc1ccco1)c1ccc([N+](=O)[O-])cc1 31558005 PBQVHPRYAQDFGF-KRWDZBQOSA-N 386.408 1.931 5 40 GDBB O=C(O)CCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 4891594 QKWWNXIYMCZUFU-KAMYIIQDSA-N 387.348 1.940 5 40 GDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3c(C)nn(C)c3C)[C@H]2C1=O 102723330 LFBTWLFHHRIBMD-GDBMZVCRSA-N 399.363 1.246 5 40 GDBB O=C(NCCC(=O)N1CCN(Cc2ccco2)CC1)c1ccc([N+](=O)[O-])cc1 22358423 KLBOSPRVRGSOCX-UHFFFAOYSA-N 386.408 1.652 5 40 GDBB Cc1nn2c(=O)/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2nc1=O 6455886 UISYIIHDXWJTFI-RIYZIHGNSA-N 382.357 1.536 5 40 GDBB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)C3CCCCC3)c([N+](=O)[O-])cc21 20059017 FUSDMLNJXPLNBW-UHFFFAOYSA-N 381.410 1.252 5 40 GDBB Cc1nn(C(F)F)cc1S(=O)(=O)NCCn1cc(Cl)c([N+](=O)[O-])n1 36615024 XNLAGGRRRBYZHO-UHFFFAOYSA-N 384.752 1.323 5 40 GDBB Cc1sc2nc(CN3CCOCC3)nc(-n3cnc([N+](=O)[O-])n3)c2c1C 72310936 MCMRHHOTPCRXBH-UHFFFAOYSA-N 375.414 1.629 5 40 GDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 95455684 XBTGAEHMHNOIMH-MRXNPFEDSA-N 396.513 1.694 5 40 GDBB CCOC(=O)c1sc2ncn3nc(Cn4cc([N+](=O)[O-])cn4)nc3c2c1C 2791115 GOLJHRLNLJHLMJ-UHFFFAOYSA-N 387.381 1.977 5 40 GDBB COc1cc(C(=O)OCC(=O)NC(=O)c2cccn2C)c([N+](=O)[O-])cc1OC 3531812 KNADAVANOWTNLT-UHFFFAOYSA-N 391.336 1.064 5 40 GDBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8646162 YVGXOCAMQGTOEV-LJQANCHMSA-N 397.343 1.973 5 40 GDBB COC(=O)COc1c(Br)cccc1C[N+]12CC3CN(CN(C3)C1)C2 19324314 GBHZKMBUFZFWTJ-UHFFFAOYSA-N 397.293 1.451 5 40 GDBB O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)NCC1CCCCC1 32910270 XNKNIRMDSPCCGU-UHFFFAOYSA-N 377.397 1.564 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])o2)NC(=O)N(C)[C@]1(O)C(F)(F)F 5592475 FBGBAWSNIDLYTR-HOTUBEGUSA-N 381.263 1.314 5 40 GDBB O=C(c1ccncc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 8380156 QNXLJZSAEVPYCL-UHFFFAOYSA-N 376.394 1.137 5 40 GDBB CCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 32727677 RDJPDABOVBWTBI-ZDUSSCGKSA-N 393.425 1.215 5 40 GDBB C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(C[C@@H](O)c2ccc3c(c2)OCO3)C1=O 62580045 BOQPORSMVVDNGH-KUHUBIRLSA-N 399.359 1.824 5 40 GDBB CN1CCC(CCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1 216937375 VRSHKCDYTLHUGX-UHFFFAOYSA-N 398.485 1.209 5 40 GDBB O=C1NC(=O)[C@@H]2[C@@H]1[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 247297266 CVZXNSIMGSRIKM-XMTFNYHQSA-N 389.367 1.951 5 40 GDBB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(=O)N1 9288536 LIIRJXIJCBZZGE-STQMWFEESA-N 381.410 1.395 5 40 GDBB Cn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc21 4295404 WQSIXHCBZBCEQL-UHFFFAOYSA-N 384.392 1.638 5 40 GDBB aggregator O=C(C1=NN[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)c1ccc([N+](=O)[O-])cc1 98086178 FXQVBGFDZSRHIO-HOCLYGCPSA-N 378.344 1.291 5 40 GDBB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)C1 250665630 ICKOVDBYNHSSOD-BBRMVZONSA-N 389.408 1.810 5 40 GDBB O=C1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)N1 5603562 HJVCCRAGMNKSKC-IRXDYDNUSA-N 396.403 1.539 5 40 GDBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 15549114 NASOLLGQPBBEEP-GFCCVEGCSA-N 392.437 1.874 5 40 GDBB CC1CCN(C(=O)[C@@H](C)OC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 12903355 ZOOQBTPNPFGLFQ-CQSZACIVSA-N 391.424 1.905 5 40 GDBB O=C(NCC(F)(F)F)[C@@H]1CSCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 46814015 JSGJDISLYFEHJR-JTQLQIEISA-N 399.372 1.337 5 40 GDBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C1 15173508 QUJKLYHJOXGERH-CQSZACIVSA-N 382.486 1.767 5 40 GDBB CS(=O)(=O)N(CC(=O)NCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 223774733 LFKJTYXEFSZBCM-UHFFFAOYSA-N 393.421 1.556 5 40 GDBB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)C1 14607423 PCXQYXMRQBGWBN-XJKSGUPXSA-N 389.408 1.810 5 40 GDBB CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286302 BUAYFXJYHKCONJ-INIZCTEOSA-N 390.396 1.098 5 40 GDBB O=C(C1=COCCO1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 5181427 XLDZNSTXZCPHSL-UHFFFAOYSA-N 376.394 1.741 5 40 GDBB CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O 3454504 GAGOZPDPVKFPOX-UHFFFAOYSA-N 382.760 1.634 5 40 GDBB C[C@@H]1CCCN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 12948107 YHTAKRSOQOWQSV-LLVKDONJSA-N 395.437 1.588 5 40 GDBB O=[N+]([O-])c1c(N2CCOCC2)c([N+](=O)[O-])c2nsnc2c1N1CCOCC1 16138185 MHYUMXPVLDFPGA-UHFFFAOYSA-N 396.385 1.181 5 40 GDBB O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 408718364 UJPCVZHBXAWVQV-FJJYHAOUSA-N 395.165 1.163 5 40 GDBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]2[C@H](C)O1 5423336 JOVMOAWNADVGIA-PGUXBMHVSA-N 390.392 1.956 5 40 GDBB COc1ccc(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 3598635 WQEMEWFVKZUOKZ-UHFFFAOYSA-N 383.360 1.558 5 40 GDBB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 58196243 CQOJRRFKIAGPDV-JTQLQIEISA-N 378.403 1.403 5 40 GDBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCc1c(C)nc2n1CCCC2 39563750 GNWCCXJLHIPKLF-UHFFFAOYSA-N 394.453 1.966 5 40 GDBB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 40130814 WYAKESDANKVBQH-LBPRGKRZSA-N 385.442 1.994 5 40 GDBB CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)C1 250668371 KBTHNUZDYJSDRQ-WFASDCNBSA-N 375.381 1.502 5 40 GDBB CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O 205678689 CSFVMQJUTVVWSK-ONNFQVAWSA-N 397.321 1.808 5 40 GDBB Cc1cccc(-n2nnnc2SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)c1 2622809 CBZCKBOWJULHOI-UHFFFAOYSA-N 398.404 1.928 5 40 GDBB O=C(Cn1c(S(=O)(=O)O)nc2ccccc21)Nc1ccccc1[N+](=O)[O-] 8973576 WAPINYHGVGNVQY-UHFFFAOYSA-N 376.350 1.830 5 40 GDBB CCOC(=O)C1=NO[C@@H](Cc2c(OC)c3c(c(OC)c2[N+](=O)[O-])OCO3)C1 15082629 DEQQFKUWXYUHCY-QMMMGPOBSA-N 382.325 1.591 5 40 GDBB COc1ncnc2c1N[C@@H](NNC(N)=S)c1cc([N+](=O)[O-])ccc1S2 3045383 ONYIIFYNQKOREN-JTQLQIEISA-N 379.427 1.307 5 40 GDBB COC(=O)c1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 408563438 AJWZVIPCGXOYRV-NQYLQCIDSA-N 381.388 1.995 5 40 GDBB CN(C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 16186708 VUHKJDQDEVLHDA-VIFPVBQESA-N 391.452 1.999 5 40 GDBB CCCn1nnc(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)n1 1837985 AVMMRJPXFPUREN-UHFFFAOYSA-N 379.402 1.517 5 40 GDBB CON(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 32899687 FZJPHVDGFOFIHE-UHFFFAOYSA-N 379.394 1.958 5 40 GDBB CS(=O)(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 8856755 JRQQXOSKDPAGRG-UHFFFAOYSA-N 398.319 1.603 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)O)CC2)c([N+](=O)[O-])c1 3888627 ZGUXCJWOOOTRNN-UHFFFAOYSA-N 385.442 1.926 5 40 GDBB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 4493152 YDQVDXLYARHBPH-LLVKDONJSA-N 396.359 1.944 5 40 GDBB COc1cc(CCNC(=O)Cc2c(C)nn(C)c2C)c([N+](=O)[O-])cc1OC 10304968 TWPILFXOAJDDPY-UHFFFAOYSA-N 376.413 1.864 5 40 GDBB CCN1CCN(c2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)CC1 12546219 WWZOBXBVXXFPRB-UHFFFAOYSA-N 385.424 1.537 5 40 GDBB O=C(Nc1ccccc1C(=O)Nn1cnnc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 14405971 IELKLMLDTWCPJA-UHFFFAOYSA-N 397.307 1.731 5 40 GDBB CCOC(=O)C1=C(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)NC(=O)NC1 12999795 VIIJRTYUZMNFAE-UHFFFAOYSA-N 383.744 1.535 5 40 GDBB CCCCn1c(=O)[nH]c(=O)c2c1nc(Cn1nc(C)c([N+](=O)[O-])c1C)n2CC 18424509 QRBURIAIIGVLNM-UHFFFAOYSA-N 389.416 1.476 5 40 GDBB NC(=O)NC[C@H]1CCCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 84350795 OCIWSYAIKZBRNB-SECBINFHSA-N 392.384 1.618 5 40 GDBB O=C(NCC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 21916023 SJNKNFVLLHYPTJ-UHFFFAOYSA-N 396.403 1.309 5 40 GDBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(Cl)cc2)cc1 9571193 RPPFIHFMGVGCPU-UHFFFAOYSA-N 394.800 1.702 5 40 GDBB CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2nc1NC[C@H]1CCCO1 19529391 VJXFTSIHFFMZFW-CYBMUJFWSA-N 381.436 1.892 5 40 GDBB COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 40161619 YJMWYDKJPXROGV-UHFFFAOYSA-N 394.405 1.967 5 40 GDBB CCC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 51912399 BEJLAHCHTHCNRG-OAHLLOKOSA-N 389.408 1.818 5 40 GDBB O=C(C1=NO[C@H]2C(=O)N(c3ccc(O)cc3)C(=O)[C@H]12)c1ccc([N+](=O)[O-])cc1 100354698 LOPJGVIXBBDFKC-CZUORRHYSA-N 381.300 1.428 5 40 GDBB CC(C)[C@H](C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 6540368 CNOCXLGNJIHGPJ-ZDUSSCGKSA-N 379.413 1.749 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 12871814 PUSGVQPQRLPYQI-UHFFFAOYSA-N 394.387 1.914 5 40 GDBB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2C=CC=NN21 18128964 ZSLLUSXLNCPFEP-YHUYYLMFSA-N 396.403 1.924 5 40 GDBB O=[N+]([O-])c1ccc(CN(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 575420699 JFSROQCWICRSPJ-SFHVURJKSA-N 397.497 1.306 5 40 GDBB CCCc1[nH]nc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)c1[N+](=O)[O-] 597992593 XBMBXZXMICRVOI-HNNXBMFYSA-N 387.440 1.767 5 40 GDBB CC(=O)Nc1cccc(-n2nnnc2Sc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 12920763 DNKGNQZERIHQLL-UHFFFAOYSA-N 399.392 1.779 5 40 GDBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)c1 9161298 LPYIMYRGPMHWSG-UHFFFAOYSA-N 376.373 1.564 5 40 GDBB CN1CCN(c2cc(CNC(=O)COc3cccc([N+](=O)[O-])c3)ccn2)CC1 48355868 VRXYCOGHLVEZID-UHFFFAOYSA-N 385.424 1.437 5 40 GDBB O=C(COC(=O)c1cnccn1)Nc1ccc([N+](=O)[O-])cc1Br 5864704 WFKWTDZXQYLUDE-UHFFFAOYSA-N 381.142 1.943 5 40 GDBB Cc1nc2ccccc2c(=O)n1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 7230166 WZZATPVXJZOPQM-UHFFFAOYSA-N 381.392 1.841 5 40 GDBB CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859220 QOHLVTLPOCXGIL-SUNKGSAMSA-N 391.302 1.721 5 40 GDBB Cc1nn(C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCOCC1 16976410 ZEUUZNFCEOEACJ-UHFFFAOYSA-N 394.409 1.118 5 40 GDBB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO 6465327 WYEUJDNVMAKURM-IUODEOHRSA-N 379.413 1.851 5 40 GDBB Cc1c(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cccc1[N+](=O)[O-] 8137111 COEGTMGRXTWSEL-UHFFFAOYSA-N 394.387 1.914 5 40 GDBB CCC[C@H]1C(=O)NCCN1c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 95451664 HNMUXVFRJWRCLY-HNNXBMFYSA-N 398.485 1.730 5 40 GDBB Cn1c(COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc(=O)n(C)c1=O 11235521 RTRFYYBVIJVRFU-GQCTYLIASA-N 379.756 1.402 5 40 GDBB CN(C)CCCn1c(=O)nc2n(-c3ccccc3)c3ccccc3nc-2c1=O 1573590 OEFIZNBOFSQHJG-UHFFFAOYSA-N 375.432 1.999 5 40 GDBB CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 10127709 ZVHYVOKBVSTGBZ-GJZGRUSLSA-N 394.380 1.549 5 40 GDBB COCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 58107304 IXPOTYOVIRPFBR-UHFFFAOYSA-N 393.421 1.450 5 40 GDBB CCn1cc(S(=O)(=O)NCCc2cn(C)c3ncccc23)c([N+](=O)[O-])n1 1561847143 LNBWXPXKYDKSCD-UHFFFAOYSA-N 378.414 1.219 5 40 GDBB COc1ccc(S(=O)(=O)Nc2ccc(Cc3nnn[nH]3)cc2)c([N+](=O)[O-])c1 78714653 SNTDIMCZRGMZBI-UHFFFAOYSA-N 390.381 1.508 5 40 GDBB C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 12782293 LANXFLOMCNFRBZ-LBPRGKRZSA-N 385.376 1.973 5 40 GDBB C[C@H]1CN([C@H](C)CNC(=O)C[S@@](=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 109049426 SIMCLNUADQXRBI-CJFQSGKJSA-N 383.470 1.316 5 40 GDBB O=[N+]([O-])c1ccc(CN(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 575420698 JFSROQCWICRSPJ-GOSISDBHSA-N 397.497 1.306 5 40 GDBB COC(=O)c1cc(C(=O)N2CCN([C@@H]3CCSC3)CC2)cc([N+](=O)[O-])c1 79045153 PKXSJDOJHDKXBM-CQSZACIVSA-N 379.438 1.645 5 40 GDBB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408592917 KUOGWSGSFWWHGQ-LLVKDONJSA-N 379.394 1.909 5 40 GDBB O=C(CN1C(=O)S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O)N1CCCC1 408551183 MAMPFYUZEILDOK-MDWZMJQESA-N 377.378 1.959 5 40 GDBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2nnc(C)s2)CC1=O 408684665 KDZLFJSUAMVFNZ-VIFPVBQESA-N 377.382 1.755 5 40 GDBB COC(=O)c1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 408563441 AJWZVIPCGXOYRV-VHFSOBRXSA-N 381.388 1.995 5 40 GDBB CC(C)OCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 6317660 OPWXGGXLEZPHQE-UHFFFAOYSA-N 387.458 1.843 5 40 GDBB COc1ccc(OC)c(Nc2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])c1 9210366 QTBSFLLDHYXRBP-UHFFFAOYSA-N 376.373 1.564 5 40 GDBB O=C(CCOc1ccc([N+](=O)[O-])cc1)NCc1cccnc1N1CCOCC1 58393514 GPIJUUQMVDTOCP-UHFFFAOYSA-N 386.408 1.912 5 40 GDBB CN1C(=O)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(=O)C12CCCCC2 24098399 LJNTWTWCHZIRLA-AWEZNQCLSA-N 377.397 1.931 5 40 GDBB Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1S(N)(=O)=O 40079601 WRPRILPPRKQRTC-UHFFFAOYSA-N 375.366 1.679 5 40 GDBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccnc1-n1cccn1 42055674 VSUKOPOQGBHXCW-ZDUSSCGKSA-N 394.391 1.610 5 40 GDBB O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 58438303 PLIDCTWONUANTN-SCLBCKFNSA-N 388.424 1.543 5 40 GDBB O=[N+]([O-])c1ccc(NC[C@@H](O)COCC2CC2)c(S(=O)(=O)N2CCCC2)c1 58155096 DREFTMOZSGAVJD-OAHLLOKOSA-N 399.469 1.579 5 40 GDBB CN(C)S(=O)(=O)c1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] 8727415 IMDJNTMCLDFYHB-UHFFFAOYSA-N 377.422 1.704 5 40 GDBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 16042868 CJYDZOQNSMKQGM-GURBDPPWSA-N 392.371 1.540 5 40 GDBB biogenic CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3C)C2=O)C1 250664987 HQKBEVXARWHRKB-BBRMVZONSA-N 389.408 1.810 5 40 GDBB COCCNC(=O)CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 22467226 UJHBBFGNBHYJGM-CYBMUJFWSA-N 378.429 1.324 5 40 GDBB CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 4269794 QOHLVTLPOCXGIL-UHIISALHSA-N 391.302 1.721 5 40 GDBB O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc(Oc2ccc(F)cc2)c1 102997989 CFDQXCXHZXRQPY-LUKYLMHMSA-N 380.328 1.377 5 40 GDBB O=C([C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1)N1CCOCC1 16964230 ODYYKTPMCRYJJX-GOSISDBHSA-N 397.387 1.861 5 40 GDBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)N1CCCCC1 11778425 KHALUOMCLKEBJQ-QWHCGFSZSA-N 377.397 1.657 5 40 GDBB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 12521082 LAXMMKZGCMBZAJ-UHFFFAOYSA-N 385.423 1.694 5 40 GDBB CS(=O)(=O)c1ccc(Nc2ccc(N3CCOCC3)nc2)c([N+](=O)[O-])c1 10643166 DOZAQJYWDJZGCF-UHFFFAOYSA-N 378.410 1.974 5 40 GDBB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 8191484 BUHYODUAWMERFD-AWEZNQCLSA-N 379.438 1.784 5 40 GDBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 102753593 ZPHWWXPGFONSCT-QEIBSMPJSA-N 392.371 1.540 5 40 GDBB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO 6465325 WYEUJDNVMAKURM-DOMZBBRYSA-N 379.413 1.851 5 40 GDBB COc1ccc(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)c([N+](=O)[O-])c1 9509817 VGQWUXBMDFNPEO-UHFFFAOYSA-N 388.336 1.890 5 40 GDBB O=c1nc2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2nc1-c1ccccc1 12376868 WEKRDJBMCRXPJF-GXDHUFHOSA-N 378.369 1.634 5 40 GDBB COc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 10024724 CHROZKITOHEBDG-KBPBESRZSA-N 398.437 1.412 5 40 GDBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 29667003 QGHWDZSCYDIQIL-UHFFFAOYSA-N 397.387 1.851 5 40 GDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccco1 8655756 YWHFEVNGAQNXKN-XLNRJJMWSA-N 392.371 1.697 5 40 GDBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccnc2)CC1 33089784 UTVWNHISRZEAPE-UHFFFAOYSA-N 376.394 1.137 5 40 GDBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O)N1CCCC1 205910786 MGFRDTQLGVNGIJ-XYOKQWHBSA-N 377.378 1.959 5 40 GDBB CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])C(N)=O 107527847 XDKPHLIEISNMSC-MLGOLLRUSA-N 398.485 1.937 5 40 GDBB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 9913746 PKMGIWYKMABFHF-CQSZACIVSA-N 376.369 1.009 5 40 GDBB O=C(CN1C(=O)COc2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 18077372 BVIFNRPBWBVKAS-UHFFFAOYSA-N 396.403 1.669 5 40 GDBB O=C1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1c1cccc(F)c1 4497755 QDVNHADEBMLLNJ-GFCCVEGCSA-N 379.369 1.818 5 40 GDBB CNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(OC)cc2)c1=N 100921805 MFBHQIKZBJWDRG-UHFFFAOYSA-N 389.415 1.545 5 40 GDBB CCOC(=O)C(Cc1c[nH]c2cc([N+](=O)[O-])ccc12)(NC(C)=O)C(=O)OCC 1694652 OIFCLUUZPMYLIF-UHFFFAOYSA-N 391.380 1.620 5 40 GDBB COc1ccc(-n2nc([N+](=O)[O-])c(NCc3ccc4c(c3)OCO4)[n+]2[O-])cc1 8682902 ZFCKGGZZVGDQEZ-UHFFFAOYSA-N 385.336 1.763 5 40 GDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C(C)C)N1CCOCC1 25373999 BIPBZLRRKIQHQX-CQSZACIVSA-N 387.458 1.239 5 40 GDBB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 2664834 MUUQHVQRQHGSMY-UHFFFAOYSA-N 377.378 1.876 5 40 GDBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc2c(c1)OCCO2 7068653 NEGKEOKPMMWOFA-UHFFFAOYSA-N 385.332 1.730 5 40 GDBB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 32674502 AJZQBEYYZSBISK-NSHDSACASA-N 392.389 1.802 5 40 GDBB Cc1cc(C)n2c(SCC(=O)NC(=O)c3cccc([N+](=O)[O-])c3)nnc2n1 2653894 GCGIZXUAWCPXMI-UHFFFAOYSA-N 386.393 1.698 5 40 GDBB Cc1nn(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1[N+](=O)[O-] 15381850 ZLIFMBQSZIVCQA-UHFFFAOYSA-N 388.384 1.665 5 40 GDBB COC(=O)c1cnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)s1 12565233 SBULSAGGUUOHEU-UHFFFAOYSA-N 392.393 1.927 5 40 GDBB C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 9951075 CRTRSNKQQFQVJR-LLVKDONJSA-N 379.394 1.498 5 40 GDBB CC(C)[C@@H](C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 6539572 CNOCXLGNJIHGPJ-CYBMUJFWSA-N 379.413 1.749 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 79064003 JVLCJQZBIXVRBS-QWHCGFSZSA-N 384.458 1.691 5 40 GDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1C 45811038 BSAYFXIEKZEPTJ-CYBMUJFWSA-N 388.467 1.552 5 40 GDBB CCc1nc(SCc2ccc([N+](=O)[O-])cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4138941 QRLSQFIVEMCDFK-UHFFFAOYSA-N 387.421 1.790 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@@H](N2CCC3(CC2)OCCO3)C1=O 104346132 DKQMUIFAFMNPOJ-OAHLLOKOSA-N 375.381 1.374 5 40 GDBB O=C(N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)n1ccnc1 20436133 IYEMEJJPDAQTNM-UHFFFAOYSA-N 386.412 1.418 5 40 GDBB COCCN(CCOC)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 8747656 GBHBCCQKWPGLAG-UHFFFAOYSA-N 387.458 1.479 5 40 GDBB CC(C)NS(=O)(=O)c1ccc(NCCNc2cnccn2)c([N+](=O)[O-])c1 23172047 XLCLZKPAYQUNNV-UHFFFAOYSA-N 380.430 1.596 5 40 GDBB C[C@H]1CN(S(=O)(=O)CCNc2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C)O1 48286689 JAZCQRJVSQWHPJ-BETUJISGSA-N 394.453 1.994 5 40 GDBB CC(C)(C)NC(=O)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 9157236 HEUIEFKHVRGWSO-UHFFFAOYSA-N 384.458 1.706 5 40 GDBB Cn1c(=O)n(C)c2cc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)ccc21 20490400 PNTYKIQXYNGXGI-UHFFFAOYSA-N 376.394 1.727 5 40 GDBB O=C(C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1)N1CCOCC1 49590374 JFOKSISSRVRONC-UHFFFAOYSA-N 391.424 1.532 5 40 GDBB Cc1cccc2nc(Cn3cc([N+](=O)[O-])cc(Br)c3=O)cc(=O)n12 79071415 TWQMGWIWJFRVCN-UHFFFAOYSA-N 391.181 1.884 5 40 GDBB CNC(=O)CN1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 32735919 VRDLZQSLSMCVAI-UHFFFAOYSA-N 382.420 1.694 5 40 GDBB COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCSc3ccccc32)c1=O 40051884 IGVUCFNTJOCVCP-UHFFFAOYSA-N 389.389 1.682 5 40 GDBB CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(cc(=O)[nH]c2=O)N1 628584 PIAYOCCGYDWDIA-INIZCTEOSA-N 386.364 1.685 5 40 GDBB O=C(OCC(=O)N1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4839536 KLFUFLDPZYIMQG-UHFFFAOYSA-N 377.397 1.601 5 40 GDBB O=C(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 19913334 CKVJRYAOCAWFFE-GOSISDBHSA-N 385.420 1.793 5 40 GDBB CCCn1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1=O 22882502 YVXVOEDWQPADLX-JTQLQIEISA-N 392.343 1.885 5 40 GDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 33089866 FUXVPJRIZDRRFS-UHFFFAOYSA-N 390.421 1.065 5 40 GDBB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 101593125 MFUYJJOIVFQJKJ-RDJZCZTQSA-N 395.327 1.813 5 40 GDBB COCCN1C[C@@]2(F)CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)C[C@@]2(F)C1=O 306133511 MNLVVAWRVSOLKU-IAGOWNOFSA-N 383.351 1.264 5 40 GDBB O=C(O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c1 23144658 BEFSAFHGFCNNMT-UHFFFAOYSA-N 381.366 1.498 5 40 GDBB Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 24997815 HVVJNVMZEPCEHX-HNNXBMFYSA-N 385.424 1.972 5 40 GDBB Cc1nn(CC(=O)OCC(=O)c2ccc3c(c2)OCCO3)c(C)c1[N+](=O)[O-] 3420961 AQMSUAGYBQVLPX-UHFFFAOYSA-N 375.337 1.605 5 40 GDBB O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3Cc4ccccc4[C@@H]32)C(=O)N1 4710257 YCEUZOKYIMYMGV-OAHLLOKOSA-N 378.344 1.565 5 40 GDBB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1 101126932 LRQXDKAQYSRKPX-PASDCYSWSA-N 393.392 1.761 5 40 GDBB C/C=C1\C[C@H]2[C@@H](O)[C@@]34Nc5ccccc5[C@@]3(CC[N+]4(C)C1)[C@]2(CO)C(=O)OC 100393397 PPJZICORVBPYAP-PGFLESTESA-N 385.484 1.389 5 40 GDBB biogenic,in-vitro O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1 6848791 BBUSUTYFTANCQD-UHFFFAOYSA-N 382.332 1.487 5 40 GDBB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])nc2n1 9962084 ROYVUJFRACYZSM-UHFFFAOYSA-N 388.315 1.584 5 40 GDBB CCOC(=O)c1cnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc1N 24982298 FCNCNJMXKIKZDZ-UHFFFAOYSA-N 377.382 1.875 5 40 GDBB CCOC(=O)/C(C(=O)Nc1ccccc1)=C(\N)NNc1ccccc1[N+](=O)[O-] 16681968 LDILGOQHWSKHRG-FOCLMDBBSA-N 385.380 1.883 5 40 GDBB O=c1nc2n(-c3cccc([N+](=O)[O-])c3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1 6445428 IICDUSHDTASIMA-UHFFFAOYSA-N 379.288 1.995 5 40 GDBB CN(C)S(=O)(=O)c1cccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 6946938 JZQYKHIBBHHGDV-UHFFFAOYSA-N 389.389 1.641 5 40 GDBB Cc1ccc2nc3c(cc(S(=O)(=O)c4ccccc4)c4nnnn43)c(=O)n2c1 16742609 VBEZYEZBKYVAPS-UHFFFAOYSA-N 392.400 1.427 5 40 GDBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 101592237 XISGFXBMIADESE-NVXWUHKLSA-N 395.327 1.813 5 40 GDBB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 4579917 YCHKNQUZYWZUFO-UHFFFAOYSA-N 385.442 1.673 5 40 GDBB O=C1Nc2ncccc2O[C@@H]1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 63110739 AFHVZMLLQIGOIT-QGZVFWFLSA-N 383.408 1.902 5 40 GDBB O=[N+]([O-])c1ccc(O[C@H]2O[C@H]3CO[C@@H](c4ccccc4)O[C@@H]3[C@@H](O)[C@@H]2O)cc1 584578720 BGBDVEKOBCWPHZ-VIUKOLAESA-N 389.360 1.535 5 40 GDBB Cc1cc(C)n2nc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)nc2n1 3542257 HJOMTDZXUFAEQR-UHFFFAOYSA-N 385.336 1.873 5 40 GDBB COc1ccc(OC[C@H](O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 4550618 IGUCAOBXOBJUGS-CYBMUJFWSA-N 376.365 1.782 5 40 GDBB O=C1[C@H]2CCCCN2C(=O)N1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19911483 GPIAAPGFNDKAPX-QGZVFWFLSA-N 387.440 1.534 5 40 GDBB CON(C)S(=O)(=O)c1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 26388871 OLLHCSZKNZATMZ-UHFFFAOYSA-N 397.413 1.229 5 40 GDBB O=[N+]([O-])c1cc(CO)cc([N+](=O)[O-])c1-c1c([N+](=O)[O-])cc(CO)cc1[N+](=O)[O-] 100098891 MNCMVLRKKFVLDL-UHFFFAOYSA-N 394.252 1.971 5 40 GDBB O=C(COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)NCCCN1CCCC1=O 6471759 XYQPMJBXPBSVJL-BQYQJAHWSA-N 375.381 1.280 5 40 GDBB O=C(c1ccc(NC[C@H](CO)Cc2ccco2)c([N+](=O)[O-])c1)N1CCOCC1 32829394 YTCAIUMWYQWXEB-CQSZACIVSA-N 389.408 1.923 5 40 GDBB CCc1n[nH]c(=O)c(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1CC 79110975 RODBXLYKENRAEZ-UHFFFAOYSA-N 394.453 1.898 5 40 GDBB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccc([N+](=O)[O-])c1 3594975 MYFZXBGOSSJVRD-IBGZPJMESA-N 380.360 1.927 5 40 GDBB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccc([N+](=O)[O-])cc1 100576291 MWPCYIXEIYGNLN-UHFFFAOYSA-N 377.357 1.295 5 40 GDBB COC[C@H](C)N1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 12862470 ZVKDGJZVENGCOF-LSDHHAIUSA-N 390.440 1.127 5 40 GDBB C[C@H](O)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 13554857 NUKYLILLNPLJJG-ZBEGNZNMSA-N 384.344 1.684 5 40 GDBB NC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 4702391 RSIZGMFCJHGTLL-CXUHLZMHSA-N 396.359 1.552 5 40 GDBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCSC[C@H]32)C1=O 13693091 GKEVOIQGDOQSSK-ZDUSSCGKSA-N 390.421 1.110 5 40 GDBB C[C@@H](C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2S1(=O)=O 4940802 UTTCWAUJIGCBTK-VIFPVBQESA-N 393.352 1.906 5 40 GDBB CCN1C(=O)/C(=C/c2ccc(OC)c(Cn3cnc([N+](=O)[O-])n3)c2)NC1=S 35669870 VQTZUQJTEDNBPK-GHXNOFRVSA-N 388.409 1.321 5 40 GDBB COc1ccccc1[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N(C)C 12521936 FOPSVTPORUETIC-INIZCTEOSA-N 394.453 1.966 5 40 GDBB CCn1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(C(=O)NC2CCCC2)n1 2730898 JFSSFMAWLRYYLU-UHFFFAOYSA-N 389.416 1.627 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(C(=O)C2CC2)CC1 12871901 XSRVLTVCPXXJMP-GFCCVEGCSA-N 376.413 1.485 5 40 GDBB CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 12944983 NQVFWEWSRUAKRJ-INIZCTEOSA-N 382.376 1.633 5 40 GDBB CC(=O)C1=NO[C@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@@H]12 4053633 VGUIOBKKQWHXEU-CVEARBPZSA-N 375.381 1.898 5 40 GDBB O=C(Cn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1)NC[C@@H]1CCCO1 36620975 KSRWICVFOWDBPL-INIZCTEOSA-N 396.407 1.939 5 40 GDBB COc1cccc(-n2nnc3c(=O)n(Cc4cccc([N+](=O)[O-])c4)cnc32)c1 4266868 CPKBFWATVLGFNZ-UHFFFAOYSA-N 378.348 1.942 5 40 GDBB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12918892 ZQIKUIRBPNKYJF-HOCLYGCPSA-N 397.453 1.433 5 40 GDBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)o1 107712325 UOOPZRUNUMOORT-WDZFZDKYSA-N 387.304 1.773 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 1317682 XHAVSRIVCHTHDE-CWSCBRNRSA-N 393.343 1.544 5 40 GDBB CCOC(=O)[C@H](C(C)=O)[C@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 5325995 YWBXMFOWWKWTGV-BZUAXINKSA-N 395.433 1.886 5 40 GDBB Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1[N+](=O)[O-] 408621814 OEUQHGCPSQOHDX-PNZLXGSGSA-N 381.388 1.895 5 40 GDBB C[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 5919382 XYOTUDBGVBTGAX-WDEREUQCSA-N 380.401 1.951 5 40 GDBB CCc1n[nH]c(-n2ccc3nc4ccn(Cc5cccnc5)c(=O)c4cc3c2=O)n1 40399153 ZCNXACIRGKSYAJ-UHFFFAOYSA-N 399.414 1.824 5 40 GDBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 7541293 VLCNSBRGFAKEOY-ZDUSSCGKSA-N 384.410 1.160 5 40 GDBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1OC 8487833 RVJLFDUNQAHSQX-RDJZCZTQSA-N 397.343 1.905 5 40 GDBB C[C@H]1CN(C(C)(C)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 45799473 PHWJSTPOOUDNAQ-KBPBESRZSA-N 385.486 1.902 5 40 GDBB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 58438295 PLIDCTWONUANTN-ACJLOTCBSA-N 388.424 1.543 5 40 GDBB O=C1NC(=O)[C@@H]2[C@@H]1[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 247297246 CVZXNSIMGSRIKM-WNRNVDISSA-N 389.367 1.951 5 40 GDBB C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100555727 GBVRGGHOJXRVAO-KMNSEVKQSA-N 398.371 1.516 5 40 GDBB COCCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCS(=O)(=O)C1 49649848 DKWIUADAFXSKFU-GFCCVEGCSA-N 381.410 1.352 5 40 GDBB O=[N+]([O-])c1cc([N+](=O)[O-])c2c(c1)[nH]n1c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3n[n+]21 100844296 KYNAZHJNRHDYLJ-UHFFFAOYSA-N 389.220 1.187 5 40 GDBB CC(C)[C@@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8471779 BDTIOJMCSKSRGU-NHYWBVRUSA-N 375.381 1.511 5 40 GDBB O=C(O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 408595937 XXOHDESEHCUTQA-KRXBUXKQSA-N 386.114 1.040 5 40 GDBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1511386 GQCLRRXDZGBVKT-UHFFFAOYSA-N 391.405 1.868 5 40 GDBB O=C(NCCCNC(=O)c1cnccn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 7367632 IRXRXCYCTIDJJD-UHFFFAOYSA-N 398.423 1.535 5 40 GDBB Cc1nn(CC(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)c1[N+](=O)[O-] 7427405 MWLBZCXLJCZUJP-UHFFFAOYSA-N 377.426 1.454 5 40 GDBB COCCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCSC1 32817455 RDSHOTZBMPLOQP-NSHDSACASA-N 393.421 1.171 5 40 GDBB Cc1nc(SCC(=O)Nc2cc(C(=O)O)cc([N+](=O)[O-])c2)[nH]c(=O)c1C 18191238 PMGNFDHACYFTOL-UHFFFAOYSA-N 378.366 1.724 5 40 GDBB O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575423057 XUEYLFHHFKKDEY-MSOLQXFVSA-N 376.434 1.755 5 40 GDBB C[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)O 4474148 LFZOSZWLDFCHHV-JASJWYONSA-N 383.360 1.955 5 40 GDBB CN1CCN(c2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])CC1 5164908 AWEMJRQCOWFOOJ-UHFFFAOYSA-N 377.836 1.984 5 40 GDBB CCOC(=O)CC[C@H](NC(=O)c1ccc(NC)c([N+](=O)[O-])c1)C(=O)OCC 5422486 YQZUJIUDONYMLD-ZDUSSCGKSA-N 381.385 1.641 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NCC(=O)O)cc1 13359951 CEBQMPQEBAFEAH-UHFFFAOYSA-N 393.377 1.518 5 40 GDBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cc(Cl)ncn2)CC1 95458373 DFJYFPJRPOGBLS-UHFFFAOYSA-N 383.817 1.549 5 40 GDBB Cc1cc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)ccc1[N+](=O)[O-] 7985375 YMQBDTYKWLHFHM-UHFFFAOYSA-N 397.387 1.766 5 40 GDBB CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(=O)N1 9939417 REVGYVPDKZMZFJ-AAEUAGOBSA-N 381.410 1.395 5 40 GDBB Cc1cc(C)n2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2n1 5894829 ICJZUJNDVYAWEM-UHFFFAOYSA-N 381.396 1.612 5 40 GDBB COc1cccc(C(=O)N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1 12539913 DTVLFAUABABKET-UHFFFAOYSA-N 384.392 1.665 5 40 GDBB CNS(=O)(=O)c1ccc(Nc2cnn(C[C@H]3CCCO3)c2)c([N+](=O)[O-])c1 40139276 RWZOOEBHSNOKEQ-GFCCVEGCSA-N 381.414 1.622 5 40 GDBB O=C(COc1ccccc1[N+](=O)[O-])N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 17526938 XWUCKWVMZBIDIH-AWEZNQCLSA-N 382.438 1.932 5 40 GDBB O=C1CN(c2ccc(NC(=O)CCNc3ccccc3[N+](=O)[O-])cn2)CCN1 40089069 OWLJZDUPYXGCDD-UHFFFAOYSA-N 384.396 1.367 5 40 GDBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(C)=O 101176744 NBVVULSMYWKTOD-UZYVYHOESA-N 398.419 1.310 5 40 GDBB COc1ccccc1NC(=S)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 3340063 USCLFSFDAOHFSM-HOCLYGCPSA-N 377.422 1.984 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 8883018 VTBAOPWCXSAMNE-UHFFFAOYSA-N 399.319 1.860 5 40 GDBB COCC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 95999574 CUVIXXCPFUWENL-GFCCVEGCSA-N 399.411 1.935 5 40 GDBB O=C(CN1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 24691800 YRZSRBYXRRNYAS-UHFFFAOYSA-N 375.429 1.757 5 40 GDBB NC(=O)[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 510645444 DNGBFNMRSJZYAS-CQSZACIVSA-N 383.813 1.623 5 40 GDBB O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](O)[C@@H]2O)cc1 44170499 BGBDVEKOBCWPHZ-VLUPQCQJSA-N 389.360 1.535 5 40 GDBB in-vitro O=C(CCn1cnc([N+](=O)[O-])c1)Nc1ccc(N2CCCS2(=O)=O)cc1 25395726 GYMLUKLXRVRVDF-UHFFFAOYSA-N 379.398 1.360 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@H](N2CCC3(CC2)OCCO3)C1=O 20634531 DKQMUIFAFMNPOJ-HNNXBMFYSA-N 375.381 1.374 5 40 GDBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCc1ccccc1 5708737 AMUQXOKFOXDJIV-UHFFFAOYSA-N 399.403 1.905 5 40 GDBB COc1ccccc1[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])N(C)C 12521935 FOPSVTPORUETIC-MRXNPFEDSA-N 394.453 1.966 5 40 GDBB COc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 10024717 CHROZKITOHEBDG-KGLIPLIRSA-N 398.437 1.412 5 40 GDBB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 9744011 WGHSNKBSYLRTCI-LLVKDONJSA-N 382.336 1.755 5 40 GDBB O=C1CCCN1c1ccc(S(=O)(=O)NCCCn2cc([N+](=O)[O-])cn2)cc1 36614608 LMIWEJYQKSQGKL-UHFFFAOYSA-N 393.425 1.287 5 40 GDBB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CS2 6912038 CKFJBNPREGTYKB-QAPCUYQASA-N 390.465 1.697 5 40 GDBB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc(F)c([N+](=O)[O-])c1 3484733 XPLZUMNAWYQZNK-UHFFFAOYSA-N 393.302 1.785 5 40 GDBB O=C(OCCNC1=NS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 2125804 RUEYQTBHJGLGQI-UHFFFAOYSA-N 375.362 1.490 5 40 GDBB COc1cc(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc(OC)c1 2654743 CXPHNFRHZQRWRB-UHFFFAOYSA-N 384.348 1.961 5 40 GDBB N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1CCCO 103923436 QBPFSJLHDMVNKY-UHFFFAOYSA-N 381.436 1.183 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])NC(=S)N[C@]1(O)C(F)(F)F 57531354 GZQVHVYVHVDXPI-OUJBWJOFSA-N 393.343 1.544 5 40 GDBB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1 7062630 UEKQJQZWAVETPK-UHFFFAOYSA-N 397.343 1.763 5 40 GDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc2c(c1)OCCO2 30495415 FRNFVEYULLYSBC-UHFFFAOYSA-N 380.378 1.853 5 40 GDBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(c2cccc(Cl)c2)CC1 7020417 FNWMVIUGZVWXFQ-UHFFFAOYSA-N 376.800 1.759 5 40 GDBB COc1ccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])N(C)C)cc1 5688209 QDIYRMSNBGBIEN-QGZVFWFLSA-N 394.453 1.966 5 40 GDBB O=[N+]([O-])c1ccc(O[C@@H]2O[C@H]3COC4(CCCCC4)O[C@@H]3[C@@H](O)[C@@H]2O)cc1 6225830 ISZQEKQIBZZACU-QUSNUVHPSA-N 381.381 1.496 5 40 GDBB CC(C)(CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 17124447 OUKTXFLFTYQIMF-UHFFFAOYSA-N 391.472 1.537 5 40 GDBB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 101592227 XISGFXBMIADESE-RDJZCZTQSA-N 395.327 1.813 5 40 GDBB Cc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)no1 9964009 JCZZWHNAVDOVPP-UHFFFAOYSA-N 390.352 1.523 5 40 GDBB CCOC(=O)[C@H](C(C)=O)[C@@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 5326006 YWBXMFOWWKWTGV-OAGGEKHMSA-N 395.433 1.886 5 40 GDBB CC(C)c1[nH]nc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1[N+](=O)[O-] 84622407 SRUDTQZRFKXMPO-UHFFFAOYSA-N 386.368 1.745 5 40 GDBB CCOc1cc2c(cc1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)O[C@H](C)C2 7020473 DXCWESHCVCTRLO-GFCCVEGCSA-N 387.392 1.795 5 40 GDBB CS(=O)(=O)N1CCC(c2nnc3sc(-c4ccc([N+](=O)[O-])o4)nn23)CC1 1501040229 HDWMAPCKVXXSNM-UHFFFAOYSA-N 398.426 1.493 5 40 GDBB O=[N+]([O-])c1ccc2nc(N3CCC(O)(CN4CCOCC4)CC3)sc2c1 95468684 CGWGLPXYNAFIFJ-UHFFFAOYSA-N 378.454 1.868 5 40 GDBB CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 11691744 XHAVSRIVCHTHDE-NRUUGDAUSA-N 393.343 1.544 5 40 GDBB CC1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 34864535 PJENCGGMXHCTMN-UHFFFAOYSA-N 382.486 1.767 5 40 GDBB O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 4547263 IRSNPIQVUDXTTH-UHFFFAOYSA-N 389.389 1.880 5 40 GDBB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 6083912 OBXBBFGCOOAUJI-UHFFFAOYSA-N 378.316 1.406 5 40 GDBB O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCN(c2cnccn2)CC1 24617913 ICQFPFGQLFUDPJ-UHFFFAOYSA-N 382.424 1.947 5 40 GDBB NC(=O)c1ccc(SCC(=O)OCC(=O)NCc2ccco2)c([N+](=O)[O-])c1 24764235 BBEGLSRUWZPCQX-UHFFFAOYSA-N 393.377 1.238 5 40 GDBB O=C(OC12CC3([N+](=O)[O-])CC([N+](=O)[O-])(C1)CC([N+](=O)[O-])(C2)C3)C(F)(F)F 100923658 IBZOIQCEWWFUPG-UHFFFAOYSA-N 383.235 1.259 5 40 GDBB NC(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 6257428 GPYJRBPKBAEYGH-UHFFFAOYSA-N 376.394 1.844 5 40 GDBB COc1cc(OC)c(OC)cc1CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 18424612 NBGRZORJWILHSU-UHFFFAOYSA-N 378.385 1.750 5 40 GDBB CN1CCN(S(=O)(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)CC1 34872518 AFADQLSVWJUDHJ-CYBMUJFWSA-N 384.458 1.122 5 40 GDBB O=C1CCCN1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 97380104 MBWXUBVTVZLYCG-UHFFFAOYSA-N 378.410 1.434 5 40 GDBB O=C(CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)N1CCCC1 32717235 FVFBBTPOUDSXSX-UHFFFAOYSA-N 396.469 1.804 5 40 GDBB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 5920478 XYOTUDBGVBTGAX-GHMZBOCLSA-N 380.401 1.951 5 40 GDBB CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 48365476 MSDNLNDKTKFOFZ-UHFFFAOYSA-N 384.440 1.713 5 40 GDBB O=C(Cn1cnc2sccc2c1=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 31413078 BHIIUYFZCCDHRB-UHFFFAOYSA-N 399.432 1.715 5 40 GDBB CN1CCC(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1 222368429 ALESKRCPBSWMIW-UHFFFAOYSA-N 398.485 1.351 5 40 GDBB CCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 8051120 OPMWHGMADDQPEY-UHFFFAOYSA-N 398.485 1.148 5 40 GDBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)CCC1=O)c1ccccc1 8475266 SBHGYFBPFMBEAQ-UHFFFAOYSA-N 381.344 1.984 5 40 GDBB CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 13647934 IIHJSMXOCSJLMY-UHFFFAOYSA-N 375.406 1.950 5 40 GDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O 12984783 JNTFFLJMPINVEA-UHFFFAOYSA-N 388.771 1.938 5 40 GDBB O=C(NC[C@@H]1CCCO1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12918899 ZQIKUIRBPNKYJF-GOEBONIOSA-N 397.453 1.433 5 40 GDBB O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575423063 XUEYLFHHFKKDEY-ZWKOTPCHSA-N 376.434 1.755 5 40 GDBB COc1ccc(CCn2cnn3c(=O)c4ccccc4nc3c2=O)cc1OC 1048853 NUPCFKDNGGLYAL-UHFFFAOYSA-N 378.388 1.664 5 40 GDBB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12542595 ZMXNVYCECJBPJR-IRXDYDNUSA-N 398.419 1.195 5 40 GDBB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1F 20458385 HUOAWLCKIQSALX-UHFFFAOYSA-N 396.400 1.985 5 40 GDBB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 5559339 CMGBENTXHUKLQF-CQSZACIVSA-N 380.788 1.735 5 40 GDBB COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 225024324 HAEGFSVFAFSQRW-UHFFFAOYSA-N 396.377 1.892 5 40 GDBB O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 6512373 CIPVZQNFTVGHKO-INIZCTEOSA-N 397.343 1.777 5 40 GDBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1N1CCOCC1 26612346 FVLMVPQILYBLDX-UHFFFAOYSA-N 392.441 1.774 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N[C@]1(O)C(F)(F)F 4387374 BVBNHNYFVGUWBH-OPQQBVKSSA-N 377.275 1.379 5 40 GDBB CCNC(=O)NC[C@@H]1CC[C@]2(COCCN(Cc3ccc([N+](=O)[O-])s3)C2)O1 306129380 IBPRGQRPBQJNOO-GUYCJALGSA-N 398.485 1.725 5 40 GDBB C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1n[nH]c(=S)n1CCCN1CCOCC1 22362990 OTLMTVPQRPZYMP-LBPRGKRZSA-N 381.462 1.571 5 40 GDBB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)c(OC)c1 103550275 DEPZQMSFQVKPSE-NVXWUHKLSA-N 397.343 1.905 5 40 GDBB O=C(NCC(F)(F)F)[C@H]1CSCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 46814013 JSGJDISLYFEHJR-SNVBAGLBSA-N 399.372 1.337 5 40 GDBB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 4493151 YDQVDXLYARHBPH-NSHDSACASA-N 396.359 1.944 5 40 GDBB Cc1nn(C)c(C)c1C(=O)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 12748837 APPIDZWJPGHLQQ-UHFFFAOYSA-N 375.337 1.738 5 40 GDBB CCOc1cccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1OCC(=O)O 9891995 IOGQWZMVAQEGJX-VOTSOKGWSA-N 377.309 1.004 5 40 GDBB CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1[N+](=O)[O-] 12412785 CYOYVDVFHOPVJH-CYBMUJFWSA-N 388.332 1.298 5 40 GDBB biogenic,in-vitro Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)no1 9525987 HBXGJKGPBOYUNI-LLVKDONJSA-N 388.336 1.426 5 40 GDBB CN(CC(=O)OCC(=O)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 6645956 KMWVSACTYDMICG-UHFFFAOYSA-N 392.389 1.641 5 40 GDBB COc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c([N+](=O)[O-])c1 26539528 YKJCQYCAOFPKNO-UHFFFAOYSA-N 375.366 1.985 5 40 GDBB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cc([N+](=O)[O-])c[nH]1 12771718 MUAWJBTUGBDYLK-UHFFFAOYSA-N 398.372 1.335 5 40 GDBB O=C(NCCc1ccc(Cl)cc1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 15081549 LYEPRLBORZSAME-UHFFFAOYSA-N 376.760 1.849 5 40 GDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(CN2CCOCC2)c1 47266691 VSWHBLNCBWLBGC-UHFFFAOYSA-N 391.449 1.906 5 40 GDBB CCCNC(=O)Cn1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])o1)CSC2 23138805 CUQWRIQPTWKIRR-UHFFFAOYSA-N 379.398 1.910 5 40 GDBB CCS(=O)(=O)N1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1 36397039 TTYMKRAWFHKSCF-UHFFFAOYSA-N 381.414 1.015 5 40 GDBB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1cccc([N+](=O)[O-])c1 5242099 MPPRFYZVKKXCFM-GFCCVEGCSA-N 387.348 1.718 5 40 GDBB O=C(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1C(=O)O 2304624 CEAJZZGXKUABQC-UHFFFAOYSA-N 383.316 1.918 5 40 GDBB CNc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 6508172 HYXMPVAAYGZNDJ-UHFFFAOYSA-N 378.385 1.952 5 40 GDBB CC(=O)N1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 4280369 IYTZKVVXOOEJTG-UHFFFAOYSA-N 388.405 1.912 5 40 GDBB COc1cc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC 3498537 RNEKWZFDXBDCEM-QWRGUYRKSA-N 382.369 1.405 5 40 GDBB CNS(=O)(=O)c1ccc(N(C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 8051939 NIXLQDAJUBENHV-GFCCVEGCSA-N 393.421 1.779 5 40 GDBB O=C1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(N3CCCC3)[nH]c2=O)N1 19961166 CDLNHZZYWJQBMX-GFCCVEGCSA-N 398.379 1.343 5 40 GDBB CNS(=O)(=O)Cc1ccccc1CNC(=O)Nc1cccc([N+](=O)[O-])c1 24238746 UKVSGPIWHORETN-UHFFFAOYSA-N 378.410 1.966 5 40 GDBB COC(=O)[C@@H]([C@@H](C[N+](=O)[O-])c1ccccc1)S(=O)(=O)Oc1ccccc1 3015346 FYZAEUGEUAZUOX-JKSUJKDBSA-N 379.390 1.997 5 40 GDBB NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 3400104 MRGLGYFCSHLAEN-UHFFFAOYSA-N 395.462 1.693 5 40 GDBB O=C(/C=C/c1ccco1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 6600761 AQBVWLYWQYDULW-VOTSOKGWSA-N 391.405 1.734 5 40 GDBB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3C)C2=O)C1 14607428 HQKBEVXARWHRKB-CZUORRHYSA-N 389.408 1.810 5 40 GDBB COc1cc(CNC(=O)c2nc(Cn3cc([N+](=O)[O-])cn3)no2)cc(OC)c1 12418271 PZUHUDBRZNVURK-UHFFFAOYSA-N 388.340 1.170 5 40 GDBB O=C(c1ccccc1)N1CCN2CN(C(=O)c3ccccc3)C[C@@]([N+](=O)[O-])(C2)C1 19312746 UNCUUZRTRBZZLH-OAQYLSRUSA-N 394.431 1.573 5 40 GDBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1 941619 DDDVJNZOMVHCMZ-UHFFFAOYSA-N 383.316 1.373 5 40 GDBB C[C@@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCOCC1 48261509 LJOZLRLKNKZBRW-AWEZNQCLSA-N 378.429 1.200 5 40 GDBB CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 29503078 VFTLWPHRMBAJEW-SFHVURJKSA-N 392.419 1.984 5 40 GDBB CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC(=O)N(Cc2ccccc2)C1=O 101470670 DBLITEGOVPJIEN-KRWDZBQOSA-N 396.403 1.453 5 40 GDBB C[C@@]1(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)NC(=O)NC1=O 32824327 OIDLONLXNAQIMM-SFHVURJKSA-N 384.348 1.667 5 40 GDBB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)C1 54670808 ICKOVDBYNHSSOD-XJKSGUPXSA-N 389.408 1.810 5 40 GDBB Cn1ccnc1C(NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nccn1C 599395883 MMMWZERRPZVSLZ-UHFFFAOYSA-N 390.425 1.271 5 40 GDBB CCOC(=O)c1cnc2n(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)NC(=S)N2 2033970190 XSTDEXJVGACOAE-LLVKDONJSA-N 375.366 1.175 5 40 GDBB COc1cc(C(=O)NCc2ccnc3ccnn23)c([N+](=O)[O-])c(OC)c1OC 95465765 SYMVVAZLGBLFOX-UHFFFAOYSA-N 387.352 1.593 5 40 GDBB COC(=O)c1c(C)cccc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 24872753 AJQYWBQUDCVGFC-UHFFFAOYSA-N 397.343 1.925 5 40 GDBB CNC(=O)[C@H]1Cc2ccccc2CN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 12808602 SIODZTASQFZCLP-MRXNPFEDSA-N 394.387 1.321 5 40 GDBB Cn1c(=O)c2c(ncn2Cc2ccc(Br)cc2[N+](=O)[O-])n(C)c1=O 6161100 WBBOWAKBFGXTCN-UHFFFAOYSA-N 394.185 1.153 5 40 GDBB COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1[N+](=O)[O-] 7651643 OHEIKIWMPCZNGB-UHFFFAOYSA-N 383.426 1.236 5 40 GDBB O=C(NCCCN1CCCC1=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 13681839 BFBOTKPGDZUMDF-UHFFFAOYSA-N 375.429 1.335 5 40 GDBB COc1cc(C(=O)Nc2ccc(CC(N)=O)cc2)c([N+](=O)[O-])c(OC)c1OC 24489531 ZUDPCXXGAXFWED-UHFFFAOYSA-N 389.364 1.901 5 40 GDBB CS(=O)(=O)c1ccc(N2CCN(C(=O)COCC3CC3)CC2)c([N+](=O)[O-])c1 58045022 QBURTIVHTDCMRY-UHFFFAOYSA-N 397.453 1.074 5 40 GDBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O)c1ccccc1 408660804 WXILWUWBHZUIOD-UHFFFAOYSA-N 381.344 1.984 5 40 GDBB O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 15711820 YHBKISYCHLNKJK-UHFFFAOYSA-N 393.421 1.654 5 40 GDBB CC(C)(CNc1nc(N)c([N+](=O)[O-])c(NCc2ccco2)n1)N1CCOCC1 96347264 QGQKKQGPSJCEHA-UHFFFAOYSA-N 391.432 1.695 5 40 GDBB CC[N@@+]1([O-])CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC 247887984 LLIKIPAUZJTRGB-FKIZINRSSA-N 385.486 1.298 5 40 GDBB in-vitro O=C(NCCNC(=O)c1cnccn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9192529 ORNNLUMKHGHWHU-UHFFFAOYSA-N 384.396 1.145 5 40 GDBB O=C1NC(=O)[C@H]2[C@H]1[C@@H]1C=Cc3ccccc3N1[C@@H]2C(=O)c1cccc([N+](=O)[O-])c1 17732211 CVZXNSIMGSRIKM-MHORFTMASA-N 389.367 1.951 5 40 GDBB C[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C[C@@H]2[C@H]2N=NN(c3ccc([N+](=O)[O-])cc3)[C@H]12 100123198 XKMNRBHVUONMEI-NNKRJJLPSA-N 399.363 1.243 5 40 GDBB CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 10127704 ZVHYVOKBVSTGBZ-CABCVRRESA-N 394.380 1.549 5 40 GDBB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 22759956 VKXJQMVFPMNTRJ-KRWDZBQOSA-N 389.433 1.765 5 40 GDBB CNC(=O)[C@H]1CN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2O1 12515609 WIHNRYUMILFNOT-QGZVFWFLSA-N 384.392 1.855 5 40 GDBB CC1(C)O[C@@H]2O[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4293467 CCRYLXMJSTVYDO-GWJZTGGPSA-N 398.368 1.314 5 40 GDBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)O 9235001 SPSSPGFVFGXAQY-GQCTYLIASA-N 377.309 1.416 5 40 GDBB COc1ccc(N(CC(=O)O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 113893948 YNRTYYQGJICIEG-UHFFFAOYSA-N 396.377 1.892 5 40 GDBB Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 9426204 XHAJRUSYYNMEPA-UHFFFAOYSA-N 399.450 1.160 5 40 GDBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2CC12C(=O)N(C)C(=S)N(C)C2=O 6673023 BKHVWTDBDWKHDF-AWEZNQCLSA-N 390.465 1.958 5 40 GDBB COC(=O)c1cccc(OC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 7781372 SEYOOOBHEUBDNQ-UHFFFAOYSA-N 384.300 1.583 5 40 GDBB CCn1cc(S(=O)(=O)n2nc([N+](=O)[O-])c(Br)c2C)c(C)n1 36612372 QVQDSJUSLYPNDC-UHFFFAOYSA-N 378.208 1.624 5 40 GDBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1cc(=O)n(C)c(=O)n1C 11510788 SHEKYEGKXZXFOB-SNVBAGLBSA-N 379.394 1.216 5 40 GDBB O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 6471687 SVAKUUGPEOTKMU-CQSZACIVSA-N 394.405 1.783 5 40 GDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCN(c2ncccn2)C1 56099636 CNUBQDODCSKBAS-ZDUSSCGKSA-N 377.426 1.641 5 40 GDBB CCOC(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 6910587 ZKCIQZNGKBKFFC-UHFFFAOYSA-N 392.412 1.346 5 40 GDBB O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O)NC[C@@H]1CCCO1 409216126 FLEDMBXXPPYUIS-IAOKNECISA-N 391.405 1.926 5 40 GDBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(N3CCOCC3)nn2)CC1 4583357 VMAFHQNUALXLGG-UHFFFAOYSA-N 398.423 1.184 5 40 GDBB CC(C)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 15391593 FAQHVLBFPFMNFW-LBPRGKRZSA-N 385.398 1.788 5 40 GDBB O=C(c1ccco1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 101568179 ZXBGXNQLLVUSLL-UHFFFAOYSA-N 399.812 1.988 5 40 GDBB O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 7802950 PBMKUDCAEAQBDC-UHFFFAOYSA-N 382.376 1.852 5 40 GDBB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2C=CC=NN21 6262544 MXRXMPOFPWKSLI-LVQVYYBASA-N 396.403 1.924 5 40 GDBB COC(=O)c1ccccc1Nc1c([N+](=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C 8773281 RNAVXDBSVJIZJM-UHFFFAOYSA-N 385.336 1.071 5 40 GDBB Cc1nn(C)c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1[N+](=O)[O-] 47331093 JQNMYRULKYGPDE-UHFFFAOYSA-N 376.392 1.537 5 40 GDBB COC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C(=O)[C@@H]12 4474669 IHDJIERXLABMQW-AUUYWEPGSA-N 394.343 1.112 5 40 GDBB COC(=O)c1ccc(COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)o1 3308683 YLAFUODGIMAZEN-UHFFFAOYSA-N 383.334 1.735 5 40 GDBB COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113879570 RDKSIKQZYWZFQV-UHFFFAOYSA-N 380.378 1.972 5 40 GDBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(O)ccc3[N+](=O)[O-])C2=O)o1 108210336 KUFYHQQEJXEYJQ-GHXNOFRVSA-N 387.304 1.773 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc3nnnn3n2)c([N+](=O)[O-])c1 22202605 PMPUJWJVPPKNTN-UHFFFAOYSA-N 393.385 1.250 5 40 GDBB C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 12553718 KODNLFCTZAPHMT-ZIAGYGMSSA-N 384.458 1.071 5 40 GDBB CCn1cc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)c([N+](=O)[O-])n1 83843356 LTYKJWVWRXUAKQ-UHFFFAOYSA-N 395.441 1.331 5 40 GDBB CC[N@+]1([O-])CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC 247887998 LLIKIPAUZJTRGB-YUNKPMOVSA-N 385.486 1.298 5 40 GDBB in-vitro O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O)[C@H]2O)cc1 255964338 BGBDVEKOBCWPHZ-UWVPOSKDSA-N 389.360 1.535 5 40 GDBB in-vitro Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCCn1nc([N+](=O)[O-])cc1C 36615061 NVPNVQNWYOKRPP-UHFFFAOYSA-N 392.388 1.677 5 40 GDBB CC(=O)C1=NO[C@@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@H]12 4053632 VGUIOBKKQWHXEU-JKSUJKDBSA-N 375.381 1.898 5 40 GDBB O=C(CN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 40070118 CSFIWFVVPDGJMG-UHFFFAOYSA-N 375.429 1.757 5 40 GDBB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO 6465326 WYEUJDNVMAKURM-WFASDCNBSA-N 379.413 1.851 5 40 GDBB COc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1[N+](=O)[O-] 9120104 HBBVCYZXJUSUAO-UHFFFAOYSA-N 376.354 1.380 5 40 GDBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1 4257379 LGTVNGOYTUHTDQ-UHFFFAOYSA-N 391.405 1.868 5 40 GDBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CSCN1C(=O)C1CCCC1 72310880 DRMRLSZAMNHANI-CYBMUJFWSA-N 382.442 1.735 5 40 GDBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2628171 AXNMGMZTUAKJKV-MRVPVSSYSA-N 383.338 1.019 5 40 GDBB COC(=O)c1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 408563433 AJWZVIPCGXOYRV-JNAXZKDPSA-N 381.388 1.995 5 40 GDBB O=C(NCCc1ccc(F)cc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 24841207 NDLUFFBYIFOILT-IAGOWNOFSA-N 377.372 1.670 5 40 GDBB CCN(CC)C(=O)CN(C)c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 6549211 PZHOPVXDFVBBKQ-UHFFFAOYSA-N 398.485 1.684 5 40 GDBB CCN(CC)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 8780479 QVEDSQKFDDIEPU-UHFFFAOYSA-N 376.866 1.957 5 40 GDBB COc1cc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Br)c1O 30840433 WDVLEOJQXOYKOG-IHWYPQMZSA-N 384.142 1.619 5 40 GDBB CC(=O)NCCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 23078630 XSNNTPANPXYSRC-UHFFFAOYSA-N 398.422 1.349 5 40 GDBB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1cccc([N+](=O)[O-])c1 409219264 KPSKVTOUUMBEHA-UHFFFAOYSA-N 395.327 1.820 5 40 GDBB CCOc1ccc(Nc2nc(NCCOCCO)nc(N)c2[N+](=O)[O-])cc1 9193021 WTTQBIZRDYHTJV-UHFFFAOYSA-N 378.389 1.530 5 40 GDBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCN(C(=O)c2ccco2)CC1 24270632 PVWGJPGFVDRTFH-UHFFFAOYSA-N 389.364 1.560 5 40 GDBB CCCn1nnc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 32118938 KNZYCXWKYUKDLF-UHFFFAOYSA-N 380.346 1.026 5 40 GDBB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1cc([N+](=O)[O-])ccc1F 69585934 MJJTUQQZOCVEKE-LRDDRELGSA-N 382.392 1.593 5 40 GDBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(N3CCOCC3)cn2)c1 95466405 SUFRRWNKLGAENL-UHFFFAOYSA-N 378.410 1.768 5 40 GDBB CCN(CC)CCCNc1nc(N)c([N+](=O)[O-])c(N2C[C@@H](C)O[C@H](C)C2)n1 5219439 NANWNXWJRQAMML-CHWSQXEVSA-N 381.481 1.724 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])o2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 106213637 FBGBAWSNIDLYTR-SBMIAAHKSA-N 381.263 1.314 5 40 GDBB C[C@@H]1CN([C@H](C)CNC(=O)C[S@@](=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 109049423 SIMCLNUADQXRBI-WXSBMKBZSA-N 383.470 1.316 5 40 GDBB CCOC(=O)[C@@H]1CS[C@H](CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(=O)N1 9939411 REVGYVPDKZMZFJ-WCQYABFASA-N 381.410 1.395 5 40 GDBB CC1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 4889947 UIXQVBFPJAWGCI-UHFFFAOYSA-N 391.424 1.847 5 40 GDBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCNC(=O)c1ccc(F)cc1F 40157137 CYHDSYPUSIMUIO-UHFFFAOYSA-N 382.323 1.741 5 40 GDBB CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 5726659 SDHVMLQOMPGBRQ-ZIAGYGMSSA-N 394.380 1.691 5 40 GDBB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cccc([N+](=O)[O-])c1 3594972 MYFZXBGOSSJVRD-LJQANCHMSA-N 380.360 1.927 5 40 GDBB CS(=O)(=O)c1ccc(Sc2nnnn2C[C@H]2CCCO2)c([N+](=O)[O-])c1 15142532 RNWYFCYGDAFEGN-SECBINFHSA-N 385.427 1.315 5 40 GDBB CCOC(=O)N1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 21970543 SELUKUGPQYHENT-UHFFFAOYSA-N 378.385 1.062 5 40 GDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 53776537 GRNVEBRZAWLBEQ-UHFFFAOYSA-N 394.431 1.942 5 40 GDBB COc1ccccc1N1C(=O)[C@H]2NN=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 6259445 VSHNODVPPDVIIX-ZBFHGGJFSA-N 394.343 1.304 5 40 GDBB CCn1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])n1 83843355 YUQVWVMAMCWJOG-UHFFFAOYSA-N 399.860 1.976 5 40 GDBB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CS2 6912037 CKFJBNPREGTYKB-YJBOKZPZSA-N 390.465 1.697 5 40 GDBB COC(=O)c1ccc2c(=O)n3c(nc2c1)c(NS(C)(=O)=O)nc1ccccc13 2206688 KKTYBGWGSOMTKI-UHFFFAOYSA-N 398.400 1.554 5 40 GDBB CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N[C@@]1(O)C(F)(F)F 11859011 BVBNHNYFVGUWBH-NRUUGDAUSA-N 377.275 1.379 5 40 GDBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 16031471 ZPHWWXPGFONSCT-GURBDPPWSA-N 392.371 1.540 5 40 GDBB biogenic O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1C(=O)C(=O)N(c2ccccc2[N+](=O)[O-])C1=O 17124880 RHDUCMLLFDTMJX-ZDUSSCGKSA-N 398.287 1.200 5 40 GDBB CCc1nn2c(=O)cc(CNc3cc([N+](=O)[O-])ccc3NCCO)nc2s1 30493328 IOFIBFZXDJKVLA-UHFFFAOYSA-N 390.425 1.638 5 40 GDBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085750 VAEDPFZZMBPTFT-UZUXZZKPSA-N 381.388 1.975 5 40 GDBB CCS(=O)(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 12980159 SPSVNKCOJDBKKX-UHFFFAOYSA-N 375.834 1.792 5 40 GDBB CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)N(C)C(=S)N(C)C2=O)[C@H]1C 6662634 AAZDYXWSLGZBDQ-SNVBAGLBSA-N 376.438 1.567 5 40 GDBB CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 4862864 SDHVMLQOMPGBRQ-KGLIPLIRSA-N 394.380 1.691 5 40 GDBB COc1cc(C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)cc([N+](=O)[O-])c1O 20058253 VJENMDSEFQBGFK-UHFFFAOYSA-N 375.341 1.963 5 40 GDBB COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)c1ccc([N+](=O)[O-])cc1 1587967 YBWPXEDQZNYCPC-UHFFFAOYSA-N 377.334 1.478 5 40 GDBB O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1NCc1ccc(F)cc1 4922812 XKAPTUHHVFLODZ-UHFFFAOYSA-N 387.327 1.936 5 40 GDBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NC[C@H]1COc2ccccc2O1 4956435 RKUQUGPDTVNHJH-ZDUSSCGKSA-N 396.359 1.261 5 40 GDBB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1cccc([N+](=O)[O-])c1 5242108 MPPRFYZVKKXCFM-LBPRGKRZSA-N 387.348 1.718 5 40 GDBB COc1ccc([C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])N(C)C)cc1 5688208 QDIYRMSNBGBIEN-KRWDZBQOSA-N 394.453 1.966 5 40 GDBB C[C@@H](C(=O)Oc1ccc2c(c1)OCO2)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 7781111 IBYACBAXDIENSA-VIFPVBQESA-N 384.300 1.914 5 40 GDBB COc1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 6627553 BMNDIUPSUASRHX-JTQLQIEISA-N 379.394 1.742 5 40 GDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCCN1CCOCC1 25499422 OMDNBSCXIFLFDH-UHFFFAOYSA-N 398.485 1.514 5 40 GDBB CNC(=O)[C@@H]1Cc2ccccc2CN1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 12808598 SIODZTASQFZCLP-INIZCTEOSA-N 394.387 1.321 5 40 GDBB CN1CCN(/C(=C/n2ccccc2=O)OC(=O)c2ccc([N+](=O)[O-])cc2)CC1 22078644 CEIWYARXKNCDCZ-JXAWBTAJSA-N 384.392 1.617 5 40 GDBB Cc1cccn2c(=O)c3cc(C(=O)NC[C@@H]4CCCO4)c(=N)n(C(C)C)c3nc12 100630640 NGFBEBMIPSTMOU-AWEZNQCLSA-N 395.463 1.927 5 40 GDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1cccnc1Cl 5845921 YNRWQFUILHLQTE-UHFFFAOYSA-N 394.771 1.843 5 40 GDBB CCNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 7814234 KAQKKXYMTIILAK-UHFFFAOYSA-N 375.834 1.785 5 40 GDBB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 101116725 ULCFLMRJJZSUDF-PASDCYSWSA-N 393.392 1.761 5 40 GDBB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409213049 SDCTWQDWHGKJRT-UHFFFAOYSA-N 392.441 1.286 5 40 GDBB O=C(C1=NN[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)c1ccc([N+](=O)[O-])cc1 98086179 FXQVBGFDZSRHIO-GOEBONIOSA-N 378.344 1.291 5 40 GDBB COC(=O)CC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 95415961 XHICGZPETDSKJY-UHFFFAOYSA-N 385.804 1.889 5 40 GDBB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 409218026 SFSNVEMYHKUIKB-UHFFFAOYSA-N 392.441 1.286 5 40 GDBB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 22665709 IVEMQEMACHGKLM-LLVKDONJSA-N 382.336 1.755 5 40 GDBB CN(CC(=O)NC1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 17282223 NFJPTOJOBJTUPT-UHFFFAOYSA-N 382.442 1.094 5 40 GDBB NS(=O)(=O)c1ccc(NC[C@@H]([C@@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 48264400 KAOSVLWBYWUPNY-WBMJQRKESA-N 384.458 1.155 5 40 GDBB O=C(CN1C(=O)N[C@]2(CCSC2)C1=O)Nc1ccc([N+](=O)[O-])cc1Cl 31646777 NBPPYHFANYOTNA-AWEZNQCLSA-N 384.801 1.614 5 40 GDBB NS(=O)(=O)c1ccc(Nc2cccc(N3CCOC3=O)c2)c([N+](=O)[O-])c1 40091205 SIJWYCNKWKRDMY-UHFFFAOYSA-N 378.366 1.942 5 40 GDBB O=[N+]([O-])c1ccc(CNc2ccc(N[C@H]3CS(=O)(=O)C[C@H]3O)cc2)cc1 575423230 ZMOFLKUXGKIMEI-DLBZAZTESA-N 377.422 1.777 5 40 GDBB Cc1c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cccc1[N+](=O)[O-] 12917402 ZHOYFELFXVXPTQ-NSHDSACASA-N 394.409 1.007 5 40 GDBB CN1N=C(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CCC1=O 18043285 BJVXDOGRKOVOQW-UHFFFAOYSA-N 379.804 1.505 5 40 GDBB CS(=O)(=O)N1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccccc21 38853967 FRIREABWFSFLPP-OAHLLOKOSA-N 377.378 1.761 5 40 GDBB O=C(Nn1cnnc1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 14406025 CZSAMKKCOKQXHR-UHFFFAOYSA-N 388.365 1.371 5 40 GDBB O=c1c([N+](=O)[O-])c(NC[C@@H](O)CN2CCc3ccccc3C2)nc2ccccn12 40083104 YJNHWMHJXWQJJZ-MRXNPFEDSA-N 395.419 1.434 5 40 GDBB NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 7166215 NRACFNVEUSUIRY-UHFFFAOYSA-N 396.469 1.471 5 40 GDBB CCn1nc(C)c(S(=O)(=O)NCCCn2cc(Cl)c([N+](=O)[O-])n2)c1C 36614517 GAJCTJZOXBUHTO-UHFFFAOYSA-N 390.853 1.647 5 40 GDBB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c([N+](=O)[O-])c1 408618175 CMBAEAIRMCPTST-BTHOMQSPSA-N 381.388 1.895 5 40 GDBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NC2CC2)cc1[N+](=O)[O-] 2637823 YKIRBRZOVKCJPU-UHFFFAOYSA-N 377.382 1.310 5 40 GDBB O=C(Nc1cc(SCCO)cc([N+](=O)[O-])c1)c1ccc(-n2cnnn2)cc1 2771982 MDJKDKPBVMPUNT-UHFFFAOYSA-N 386.393 1.907 5 40 GDBB C[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 4976684 HBHICNKCICSATJ-LLVKDONJSA-N 397.343 1.761 5 40 GDBB O=[N+]([O-])c1ccc(NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 22810695 BOOJHGJCKFSWHO-UHFFFAOYSA-N 378.410 1.623 5 40 GDBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC(=O)NCc1ccccc1 2616742 JFFHHDVOAAKKCW-UHFFFAOYSA-N 381.348 1.331 5 40 GDBB COc1ccc(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1[N+](=O)[O-] 13018848 NVPPAQUCMXARNL-UHFFFAOYSA-N 384.439 1.571 5 40 GDBB Cc1c(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] 32903048 KLDZBWMIXICMQT-QGZVFWFLSA-N 390.440 1.555 5 40 GDBB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCn1cc(Cl)c([N+](=O)[O-])n1 36615113 RDIKLOXVSNJRBJ-UHFFFAOYSA-N 398.779 1.632 5 40 GDBB CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1cc([N+](=O)[O-])cnc1N 95466485 QDPDDCVYBRTSNW-UHFFFAOYSA-N 376.344 1.917 5 40 GDBB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1OC 103519273 GMLKAZZYJGHRQO-NVXWUHKLSA-N 397.343 1.905 5 40 GDBB CN1CCO[C@@H](CN(CC2CC2)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 601150935 JBNZNFPIWUDJSD-LLVKDONJSA-N 377.367 1.894 5 40 GDBB COC(=O)COc1c(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cccc1OC 9235083 DXFBYSIZBWSRJE-VOTSOKGWSA-N 377.309 1.115 5 40 GDBB CN(c1cccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1)S(C)(=O)=O 20458958 GMPFSIJHLPBNMG-UHFFFAOYSA-N 399.450 1.933 5 40 GDBB COCCNC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 4435586 SHKXQTCLPZXPBA-OAHLLOKOSA-N 393.783 1.597 5 40 GDBB Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 24997818 HVVJNVMZEPCEHX-OAHLLOKOSA-N 385.424 1.972 5 40 GDBB Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC(=O)NCc2ccccn2)c1C 96012582 KNRJXNMZUSISAG-UHFFFAOYSA-N 392.437 1.591 5 40 GDBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1[C@H]2C=CC[C@H]1CC2 101767982 PTDQCBWUDARTLM-KBPBESRZSA-N 379.438 1.913 5 40 GDBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])N1CCCC1 4579941 BPARVJRDXIMPGQ-UHFFFAOYSA-N 383.426 1.381 5 40 GDBB O=C(CN(C[C@H]1CCCO1)C(=O)COc1cccc([N+](=O)[O-])c1)N1CCCC1 89780686 WBZOSBKJRLXVSU-QGZVFWFLSA-N 391.424 1.604 5 40 GDBB COc1cc(C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)c(O)c([N+](=O)[O-])c1 409179787 NRHRRYNEEHUREM-UHFFFAOYSA-N 375.341 1.963 5 40 GDBB O=[N+]([O-])c1ccc(O[C@H]2O[C@H]3COC4(CCCCC4)O[C@@H]3[C@@H](O)[C@H]2O)cc1 6225825 ISZQEKQIBZZACU-KSWRQPAISA-N 381.381 1.496 5 40 GDBB NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 226862857 QPYMEBVVXOCGTI-UHFFFAOYSA-N 375.359 1.182 5 40 GDBB CN(C)S(=O)(=O)c1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2N)c1 16814278 WLTDQEBOHQYFGF-UHFFFAOYSA-N 379.394 1.784 5 40 GDBB O=C([C@H]1COc2ccccc2O1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 1547211710 JXGAHMPERDHMLL-FHSNZYRGSA-N 397.387 1.542 5 40 GDBB biogenic CNc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 5363767 TUSGSYNGDJUAEG-UHFFFAOYSA-N 387.348 1.838 5 40 GDBB CC1=C(C(=O)N2CCN(C)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 54274515 HPRZBAOGVFZUHB-MRXNPFEDSA-N 383.412 1.249 5 40 GDBB O=C(NC1CCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 17116711 WSLQQOVSVAUBMN-UHFFFAOYSA-N 382.442 1.553 5 40 GDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)COc3ccc(C=O)cc3)cc21 408600029 RLOPTLRBYWIJKI-UHFFFAOYSA-N 384.348 1.615 5 40 GDBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)O 16688977 SPSSPGFVFGXAQY-XQRVVYSFSA-N 377.309 1.416 5 40 GDBB Cn1ncc2c(NCCOC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ncnc21 4293842 NWSDHMUCLLHJLA-UHFFFAOYSA-N 387.312 1.449 5 40 GDBB biogenic O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCN1CCOCC1 23055107 MACSJMLMZKUMJQ-UHFFFAOYSA-N 379.460 1.993 5 40 GDBB Cc1ccccc1CN1CCN(c2sc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 78990351 YOHCFSMNQQMMJB-UHFFFAOYSA-N 396.494 1.934 5 40 GDBB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 8744695 VVOXMRXYAIVUTP-JTQLQIEISA-N 390.421 1.292 5 40 GDBB O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)N1CCN(c2ncccn2)CC1 7955772 PZVDFSWYUVGWSY-NSCUHMNNSA-N 397.391 1.613 5 40 GDBB CN(C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 3443287 DHEFXHRNCFFCFY-UHFFFAOYSA-N 397.343 1.397 5 40 GDBB CC(C)C(=O)N1CCN(c2cc(N3CCN(C)CC3)c(F)cc2[N+](=O)[O-])CC1 4624272 GCJBCHLHLPSVPF-UHFFFAOYSA-N 393.463 1.790 5 40 GDBB COc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c1 6533050 CRLCZUUMXMFKEM-UHFFFAOYSA-N 389.364 1.803 5 40 GDBB Cn1cc(C2N3CC4([N+](=O)[O-])CN2CC([N+](=O)[O-])(C3)C4(C)C)c2ccccc21 19325766 RYIZEKWDQDBTJD-UHFFFAOYSA-N 385.424 1.879 5 40 GDBB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 15987429 MXRXMPOFPWKSLI-JJXSEGSLSA-N 396.403 1.924 5 40 GDBB C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cc([N+](=O)[O-])cn1 19932915 DTIHCFXULUEVIL-ZDUSSCGKSA-N 387.396 1.425 5 40 GDBB O=C(NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 12408399 FQGRVMPVKRXRLZ-UHFFFAOYSA-N 390.359 1.947 5 40 GDBB Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)c([N+](=O)[O-])n1 8824628 NLXZWWANFNCHGS-UHFFFAOYSA-N 380.382 1.506 5 40 GDBB COC[C@@H](C)n1c(C)cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1C 27053601 XSHULDPTEQRJLJ-LLVKDONJSA-N 390.396 1.364 5 40 GDBB COc1ccc(S(=O)(=O)N(C)[C@@H](C(N)=O)c2cccc(F)c2)cc1[N+](=O)[O-] 58244340 GKHTUBPKSBWHTD-OAHLLOKOSA-N 397.384 1.590 5 40 GDBB O=C(COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1)N1CCCC1 9295528 SGYSXQPAFAVVEN-VMPITWQZSA-N 386.364 1.555 5 40 GDBB COc1ccc(Cn2ccc3nc4ccn(N)c(=O)c4cc3c2=O)cc1OC 40398628 GDDJOSCGXISIQZ-UHFFFAOYSA-N 378.388 1.491 5 40 GDBB O=C(CN1CCN(Cc2ccccc2)CC1)NCCNc1ccc([N+](=O)[O-])cn1 4698564 ADZGECUNJWFHSN-UHFFFAOYSA-N 398.467 1.336 5 40 GDBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC(=O)Nc1ccc2c(c1)OCCO2 2640862 NWBFORDCHYSETF-UHFFFAOYSA-N 391.292 1.464 5 40 GDBB COc1ccc(OC)c(Nc2nc(N3CCN(C)CC3)nc(N)c2[N+](=O)[O-])c1 9245497 NSXLARLBMKAFJE-UHFFFAOYSA-N 389.416 1.480 5 40 GDBB CN(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 5517363 DXWOWUQZEDSAGO-UHFFFAOYSA-N 385.376 1.526 5 40 GDBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCCOc1ccc(F)cc1 4313664 GPJYCLJQOISMGC-UHFFFAOYSA-N 388.307 1.952 5 40 GDBB COc1ccccc1N1C(=O)[C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=NN[C@H]2C1=O 6259449 VSHNODVPPDVIIX-GDBMZVCRSA-N 394.343 1.304 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccn1)S(C)(=O)=O 10315353 QVJFRRMPSQYPPK-UHFFFAOYSA-N 378.410 1.381 5 40 GDBB Cc1cc(C(=O)N2CCN(CCNC(=O)c3ccco3)CC2)ccc1[N+](=O)[O-] 26143024 ZMQLVFISIOJNNQ-UHFFFAOYSA-N 386.408 1.684 5 40 GDBB COc1cc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc(OC)c1 3262519 UBBRSWSEEHLOCL-UHFFFAOYSA-N 385.332 1.847 5 40 GDBB COCCn1cnnc1SCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C 12635441 VJQKHPGJBZKQMM-UHFFFAOYSA-N 381.414 1.881 5 40 GDBB COCCNc1ccc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 30603076 NQOJRWLSLZLMLI-HUUCEWRRSA-N 394.472 1.882 5 40 GDBB COC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O 32124744 XMXMMZRNRGJBMG-GHXNOFRVSA-N 398.418 1.889 5 40 GDBB COc1cc(C(=O)NCc2nnc3n2CCC3)c([N+](=O)[O-])cc1OC(F)F 12792246 DAAUANMAMYIYTJ-UHFFFAOYSA-N 383.311 1.673 5 40 GDBB O=C(CSc1ncn(-c2ccccc2)n1)NCCNc1ccc([N+](=O)[O-])cn1 18219325 WVAOZCBBZAIFAB-UHFFFAOYSA-N 399.436 1.891 5 40 GDBB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1cccc([N+](=O)[O-])c1 3324234 OTCGYIZWXDBYMV-LJQANCHMSA-N 396.359 1.763 5 40 GDBB O=C(O)CCNC(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1 5003933 QKTJRCNPINASRO-QINSGFPZSA-N 383.360 1.957 5 40 GDBB O=C(COc1ncnc2ccc([N+](=O)[O-])cc12)NCc1ccc2c(c1)OCO2 6930541 CCHZSGRTCHIWSZ-UHFFFAOYSA-N 382.332 1.962 5 40 GDBB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 17975965 MQZSVWVJONYPDK-PRRDBKRISA-N 384.344 1.128 5 40 GDBB CCOC(=O)c1cc(C(=O)OCC(=O)NCC(F)(F)F)cc([N+](=O)[O-])c1 21464019 AKQAYCXWHKAOGN-UHFFFAOYSA-N 378.259 1.607 5 40 GDBB Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c4nnnn4c3nc12 27562056 NCMCESLKXOZEGD-UHFFFAOYSA-N 399.414 1.566 5 40 GDBB CC(C)(C)[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1nc(-c2nc[nH]n2)no1 89642943 HWOXURBDROLESK-NSHDSACASA-N 389.376 1.253 5 40 GDBB COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113879275 HVUBBYHUIWFKTK-UHFFFAOYSA-N 380.378 1.972 5 40 GDBB CCCc1[nH]nc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] 597992598 XBMBXZXMICRVOI-OAHLLOKOSA-N 387.440 1.767 5 40 GDBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@@H]1CS(=O)(=O)C[C@@H]1O 12139534 XURATZWXUWJWDY-MUWHJKNJSA-N 385.276 1.092 5 40 GDBB Cc1nn(CC(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1[N+](=O)[O-] 13140432 KZPVCLLDODLPBZ-LLVKDONJSA-N 391.340 1.887 5 40 GDBB Cc1nn(CC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)c1[N+](=O)[O-] 13523283 GNROKHGQEVRJIM-UHFFFAOYSA-N 388.336 1.165 5 40 GDBB Cc1c(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] 32903047 KLDZBWMIXICMQT-KRWDZBQOSA-N 390.440 1.555 5 40 GDBB CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 103931479 XIDBSOTYHZKSKP-OBJOEFQTSA-N 381.454 1.963 5 40 GDBB Cc1ccccc1COC(=O)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 7989799 WZYHYNRTRFLXSB-UHFFFAOYSA-N 379.394 1.507 5 40 GDBB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 9509171 AJYOIYIYWJXSMT-UHFFFAOYSA-N 393.377 1.298 5 40 GDBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)NC1CCCC1 12734273 ARQAUQFRSNZNJU-RYUDHWBXSA-N 377.397 1.704 5 40 GDBB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 224747737 OMRUFQOQHLRTOE-UHFFFAOYSA-N 396.377 1.892 5 40 GDBB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 48299512 HIACPQJOLVKKAG-HNNXBMFYSA-N 393.396 1.596 5 40 GDBB COc1ccc(OCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 782948 DCBYLZZLDBITGD-UHFFFAOYSA-N 399.403 1.967 5 40 GDBB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 101145947 YXWCTSYOWYFRBL-IYVPYFHTSA-N 386.360 1.352 5 40 GDBB COC[C@@H](C)N1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 12862459 ZVKDGJZVENGCOF-HUUCEWRRSA-N 390.440 1.127 5 40 GDBB COc1ccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1[N+](=O)[O-] 40080649 PMKJDNGNNCKQMH-UHFFFAOYSA-N 384.348 1.908 5 40 GDBB Cc1cc(=O)[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)n1 96191260 OPVOATDSRKAOIS-LBPRGKRZSA-N 378.410 1.555 5 40 GDBB Cc1cc2c(=O)n(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c(C)nc2s1 2780161 AYYIKPHJSHSVPZ-UHFFFAOYSA-N 390.425 1.957 5 40 GDBB Cc1nn(C(=O)c2ccccc2[N+](=O)[O-])c(C)c1S(=O)(=O)N1CCCC1 16976562 JHXVSANXEHTCFR-UHFFFAOYSA-N 378.410 1.881 5 40 GDBB CCCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 32727674 RDJPDABOVBWTBI-CYBMUJFWSA-N 393.425 1.215 5 40 GDBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nc1 36781870 NWRUITYQGQPNPK-UHFFFAOYSA-N 384.364 1.779 5 40 GDBB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1 57431958 ZLEQMOFEEFUWDM-UHFFFAOYSA-N 375.359 1.182 5 40 GDBB COC(=O)c1ccccc1N1C(=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 100829515 MMMQHJFAHMNBHD-ZBFHGGJFSA-N 395.327 1.674 5 40 GDBB O=C(NN1CCCCC1=O)c1cc(I)cc([N+](=O)[O-])c1 95451700 MTTPAEVWTXNZBE-UHFFFAOYSA-N 389.149 1.857 5 40 GDBB Cn1c(=O)c2c(ncn2CCOc2ccc(Cl)cc2[N+](=O)[O-])n(C)c1=O 12544496 KTFLBXDBDIGNFX-UHFFFAOYSA-N 379.760 1.074 5 40 GDBB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 12921284 JBYSRFWDSRLQOE-ZDUSSCGKSA-N 381.348 1.745 5 40 GDBB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 15103947 QZEIJMHRDYSKPU-UHFFFAOYSA-N 380.426 1.706 5 40 GDBB CC1CCC(N(C)C(=O)COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 12780911 BCXVLEMEIWLPDM-UHFFFAOYSA-N 385.442 1.658 5 40 GDBB NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC(=O)c1cccc([N+](=O)[O-])c1 101346003 HETUNJJNXMJMHD-UHFFFAOYSA-N 375.253 1.762 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387376 CGJFHNCGEMXXEJ-OUJBWJOFSA-N 377.275 1.379 5 40 GDBB CCCn1/c(=N\C(C)=O)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101123318 QUMYWYWWBMLWLM-UZYVYHOESA-N 382.420 1.992 5 40 GDBB O=C(CN1C(=O)S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O)N1CCOCC1 409145062 HPKDIVBLEGYGAA-MDWZMJQESA-N 393.377 1.196 5 40 GDBB O=C(Nc1ccccc1)C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 9685963 PNHRBLLVHRXEOJ-UHFFFAOYSA-N 384.392 1.634 5 40 GDBB O=C(NC1CCCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12994642 GWQPFAWSSCINDN-UHFFFAOYSA-N 382.442 1.553 5 40 GDBB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 102086198 MHXQWBOBHWHORV-CNGUFQHNSA-N 381.388 1.977 5 40 GDBB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)s2)cc1 105630161 WJPIHUYBSPRZLC-IWSCKCOWSA-N 382.397 1.845 5 40 GDBB COc1ccc(-n2ccc3nc4ccn(-c5ncn[nH]5)c(=O)c4cc3c2=O)cc1 36354159 DRJOASJQXIYTEP-UHFFFAOYSA-N 386.371 1.817 5 40 GDBB COc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1[N+](=O)[O-] 53483989 JUSXVEQEJGESCU-UHFFFAOYSA-N 385.424 1.680 5 40 GDBB CC1CCN(C(=O)[C@H](C)OC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 12903361 ZOOQBTPNPFGLFQ-AWEZNQCLSA-N 391.424 1.905 5 40 GDBB CCCn1nnnc1NC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 17077686 CNFPDSXAYRKFJW-UHFFFAOYSA-N 380.346 1.026 5 40 GDBB CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 4899590 NCQTWSDYMRWNMC-KRWDZBQOSA-N 384.392 1.397 5 40 GDBB Cc1sc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1[N+](=O)[O-] 36393498 KVPHJJWRKBWDAN-UHFFFAOYSA-N 399.436 1.903 5 40 GDBB CN(C[C@@H]1COc2ccccc2O1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 12635282 DBOKEDNZZJRKEP-LLVKDONJSA-N 379.394 1.518 5 40 GDBB CCCCn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O 38829432 MPMXZHDTXCNLRF-UHFFFAOYSA-N 382.464 1.844 5 40 GDBB CCOC(=O)C1CCN(c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])CC1 4922849 UOKVDQLBAGOODF-UHFFFAOYSA-N 395.803 1.847 5 40 GDBB CCN(C(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 2640460 LAWYSQJKVXDBBO-HSBSLETESA-N 396.421 1.187 5 40 GDBB CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 12949876 BNFILPCYTJIZNV-NSHDSACASA-N 375.834 1.928 5 40 GDBB O=C(NCc1ccc(-n2cncn2)nc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 58366902 VIRNDGZKKOFVNS-UHFFFAOYSA-N 390.363 1.686 5 40 GDBB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)C1 14607408 KBTHNUZDYJSDRQ-SWLSCSKDSA-N 375.381 1.502 5 40 GDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 5221474 ZUVVJCREOQKTGT-CQSZACIVSA-N 397.387 1.830 5 40 GDBB O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCC(=O)N1CCCCCC1 6097991 FFMRTBPQZFXDHA-UHFFFAOYSA-N 397.815 1.924 5 40 GDBB Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 20800087 HDBJQVDTWRYGEF-LBPRGKRZSA-N 397.395 1.632 5 40 GDBB O=C(O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225003612 ZUOAMDZXJIZFGO-UHFFFAOYSA-N 380.334 1.603 5 40 GDBB O=C1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1c1cccc(F)c1 4497756 QDVNHADEBMLLNJ-LBPRGKRZSA-N 379.369 1.818 5 40 GDBB NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 18994594 HKHYNSJTJUWLSU-UHFFFAOYSA-N 375.359 1.182 5 40 GDBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nc1 22805904 CMFKJBGFWCTXFM-UHFFFAOYSA-N 388.449 1.989 5 40 GDBB Cn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc21 101158465 FSVKJXOESQPUKD-UHFFFAOYSA-N 377.379 1.735 5 40 GDBB O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3Cc4ccccc4[C@H]32)C(=O)N1 4710256 YCEUZOKYIMYMGV-HNNXBMFYSA-N 378.344 1.565 5 40 GDBB O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9390101 TTXKDEWQUODMEV-UHFFFAOYSA-N 382.373 1.209 5 40 GDBB CCCNC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2C)o1 12140438 RPZMQFLJGRMICH-UHFFFAOYSA-N 393.425 1.835 5 40 GDBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1 25373995 BIPBZLRRKIQHQX-AWEZNQCLSA-N 387.458 1.239 5 40 GDBB C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100555730 GBVRGGHOJXRVAO-CFXSOUKZSA-N 398.371 1.516 5 40 GDBB COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 22278881 UAWCPUAVJXBZPP-UHFFFAOYSA-N 395.393 1.293 5 40 GDBB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 22759958 VKXJQMVFPMNTRJ-QGZVFWFLSA-N 389.433 1.765 5 40 GDBB COc1cc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1OC 3498535 RNEKWZFDXBDCEM-GHMZBOCLSA-N 382.369 1.405 5 40 GDBB O=C1COc2ccc(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2N1 8881468 OTZDIGARMSMFRG-UHFFFAOYSA-N 381.300 1.405 5 40 GDBB COc1cc(C(=O)NCCNC(=O)c2ccco2)c([N+](=O)[O-])c(OC)c1OC 23041658 CVIPQPCKXPVXFY-UHFFFAOYSA-N 393.352 1.373 5 40 GDBB O=C(Nc1ccccc1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 6595337 HSLPEIABCKIJIC-HOCLYGCPSA-N 391.405 1.357 5 40 GDBB CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] 5574813 YTFAHZOPJFEDAZ-MRXNPFEDSA-N 399.403 1.615 5 40 GDBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1OC 101270846 RVJLFDUNQAHSQX-WBVHZDCISA-N 397.343 1.905 5 40 GDBB CCOc1nn(CCCNS(=O)(=O)c2cn(CC)nc2C)cc1[N+](=O)[O-] 36614996 UTORQXZCJXNOHT-UHFFFAOYSA-N 386.434 1.083 5 40 GDBB O=C(OCC(=O)N1CCc2ccccc21)c1cc([N+](=O)[O-])ccc1NCCO 4893802 SRQKSJXSOGBSFL-UHFFFAOYSA-N 385.376 1.745 5 40 GDBB CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 11691742 XHAVSRIVCHTHDE-BREBYQMCSA-N 393.343 1.544 5 40 GDBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(F)cc1 5852077 FIVUWCPDIKWVAI-UHFFFAOYSA-N 377.328 1.934 5 40 GDBB O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(c2ncccn2)CC1 32658097 NHLWOAAPHUVHQH-UHFFFAOYSA-N 379.380 1.533 5 40 GDBB COC(=O)c1cc(C(=O)N2CCN([C@H]3CCSC3)CC2)cc([N+](=O)[O-])c1 79045165 PKXSJDOJHDKXBM-AWEZNQCLSA-N 379.438 1.645 5 40 GDBB Nc1ncnc(Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1[N+](=O)[O-] 9087028 NJVKKULFPGIRIE-UHFFFAOYSA-N 390.381 1.782 5 40 GDBB O=C(c1cccs1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 2206208 YEJKGQWKGZMHFQ-UHFFFAOYSA-N 381.435 1.803 5 40 GDBB CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)O 3886335 FKLHANAHRWAYTA-CQSZACIVSA-N 387.414 1.137 5 40 GDBB Cc1cc(C(=O)NCC(=O)OCC(=O)N(C(C)C)C(C)C)ccc1[N+](=O)[O-] 3275179 OTCMOCJZHNULAC-UHFFFAOYSA-N 379.413 1.822 5 40 GDBB O=C(c1ccc(F)cc1)N1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 29528643 WMCCGVASQNRDJF-UHFFFAOYSA-N 397.366 1.933 5 40 GDBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccc(S(N)(=O)=O)cc1 25253742 IUBGFCQLPFMOIP-UHFFFAOYSA-N 377.422 1.833 5 40 GDBB O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC(=O)NC1CCCCC1 15351322 PTHWZHQCFNLJLO-UHFFFAOYSA-N 389.456 1.875 5 40 GDBB CCCCN(C(=O)COc1ccc(C)nc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 7229448 JGRKRICKSFSDNT-ZDUSSCGKSA-N 385.442 1.493 5 40 GDBB O=C(C1=NO[C@H]2C(=O)N(c3ccc(O)cc3)C(=O)[C@@H]12)c1ccc([N+](=O)[O-])cc1 3849240 LOPJGVIXBBDFKC-XJKSGUPXSA-N 381.300 1.428 5 40 GDBB biogenic Cn1nc(CC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2c1=O 25072581 JTWRZKGTAMMARO-UHFFFAOYSA-N 396.359 1.566 5 40 GDBB O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 2619673 AXQRLIPFCYRZIQ-UHFFFAOYSA-N 381.360 1.912 5 40 GDBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1OC 100861501 GMLKAZZYJGHRQO-WBVHZDCISA-N 397.343 1.905 5 40 GDBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)COCC3(C)C 5345559 NCHXUWMTICBRBG-UHFFFAOYSA-N 384.392 1.879 5 40 GDBB NC(=O)C1(N2CCCCC2)CCN(c2ccc([N+](=O)[O-])cc2C(=O)O)CC1 408712757 NUZANRQLSNEQCF-UHFFFAOYSA-N 376.413 1.603 5 40 GDBB COC(=O)COc1cc([N+](=O)[O-])c(OCC(=O)OC)cc1Br 30836204 PUHIMVDAGSHSSU-UHFFFAOYSA-N 378.131 1.461 5 40 GDBB O=C(NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)NCc1ccccc1 27085101 XPOCMJIMLAQWCQ-UHFFFAOYSA-N 397.435 1.743 5 40 GDBB O=c1c2cnc3c(S(=O)(=O)c4ccccc4)cnn3c2nc2ccccn12 80345984 OVAAHQRBSXBSGZ-UHFFFAOYSA-N 377.385 1.723 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 8148860 LAASUYGZCNOZOP-UHFFFAOYSA-N 384.458 1.327 5 40 GDBB O=C(Nn1cnnc1)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 14405880 NVNHKMNEFYGIJM-UHFFFAOYSA-N 388.365 1.371 5 40 GDBB CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])CC1 7238973 AASIBYPIAWAWIB-UHFFFAOYSA-N 382.442 1.048 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)nc2sccn2c1=O 16249216 DGLOYFHQEHCZAD-UHFFFAOYSA-N 396.406 1.782 5 40 GDBB NC(=O)c1nc(-c2ccccc2[N+](=O)[O-])nc2c1[nH]c(=O)n2-c1ccccc1F 4518711 YULNMNDWWKKJAB-UHFFFAOYSA-N 394.322 1.922 5 40 GDBB COc1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 6627556 BMNDIUPSUASRHX-SNVBAGLBSA-N 379.394 1.742 5 40 GDBB COc1cc2c(cc1OC)CN(c1ccc([N+](=O)[O-])cc1S(N)(=O)=O)CC2 15165900 YGSOPSRAEWEXAL-UHFFFAOYSA-N 393.421 1.822 5 40 GDBB Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)c3cccc([N+](=O)[O-])c3)oc(C)c12 9595582 DIRKXJCZZCZKIF-UHFFFAOYSA-N 386.320 1.837 5 40 GDBB COc1ccc(C(=O)NCC(=O)OCC(=O)N(C(C)C)C(C)C)cc1[N+](=O)[O-] 3297569 PEXACZLGIPUHCW-UHFFFAOYSA-N 395.412 1.522 5 40 GDBB N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC(C(N)=O)(N2CCCCC2)CC1 225239111 CKHAHBWVQNKZDO-UHFFFAOYSA-N 375.433 1.142 5 40 GDBB COc1ccc2c3c1O[C@H]1[C@]34CCN(C=O)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([N+](=O)[O-])C2 96316366 HPDRZNAVNJHXRU-SFWDHPSFSA-N 398.415 1.471 5 40 GDBB biogenic,in-vitro Cc1ccc(NC(=O)COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c([N+](=O)[O-])c1 8773136 CRJGQKATQMMXCE-UHFFFAOYSA-N 391.340 1.807 5 40 GDBB Cc1nnc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)s1 33450818 PRAXYVWRKRFKHD-UHFFFAOYSA-N 394.438 1.676 5 40 GDBB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 101145951 TWJKYCDAQQTRKJ-IYVPYFHTSA-N 386.360 1.352 5 40 GDBB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 40131491 MZNJMFDGIRNXCE-CQSZACIVSA-N 398.485 1.575 5 40 GDBB COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225033081 MJCIROHPKWBLRC-UHFFFAOYSA-N 395.349 1.871 5 40 GDBB O=C(O)c1ccc(S(=O)(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1731663 OVZZXSOYKIKFFW-UHFFFAOYSA-N 396.289 1.732 5 40 GDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3c(C)nn(C)c3C)[C@@H]2C1=O 102723340 LFBTWLFHHRIBMD-HOCLYGCPSA-N 399.363 1.246 5 40 GDBB CCOc1ccc(OCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 7899586 DFKMKRSPDXGXMC-UHFFFAOYSA-N 387.392 1.919 5 40 GDBB Cc1ccc(OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c([N+](=O)[O-])n1 3444125 APESWABQNBTCIG-UHFFFAOYSA-N 398.297 1.849 5 40 GDBB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 409210967 MGQHRKBJAMZURV-UHFFFAOYSA-N 392.441 1.286 5 40 GDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CC[C@H](C(F)(F)F)[C@@H](CN)C3)cc21 600951596 FVGJOVQNKNCVFM-UWVGGRQHSA-N 387.362 1.749 5 40 GDBB C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 18030852 GBVRGGHOJXRVAO-SYCOBUBCSA-N 398.371 1.516 5 40 GDBB CS(=O)(=O)NCCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 32829627 DLXRPAYMXWXBAM-UHFFFAOYSA-N 386.308 1.873 5 40 GDBB CCOC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@]1(O)C(F)(F)F 4387379 CGJFHNCGEMXXEJ-GIPNMCIBSA-N 377.275 1.379 5 40 GDBB Cc1cccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1[N+](=O)[O-] 12813450 GYSJHCGQALFGFF-UHFFFAOYSA-N 381.396 1.542 5 40 GDBB CCn1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c([N+](=O)[O-])n1 83843362 BRKMOOZTEDBKFN-UHFFFAOYSA-N 393.425 1.848 5 40 GDBB O=[N+]([O-])c1ccc(N=c2[nH]c(N3CCOCC3)nc(=Nc3ccccc3)[nH]2)nc1 408675139 STJIGSQHGOGXFH-UHFFFAOYSA-N 394.395 1.342 5 40 GDBB Cc1ccc(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 1311332 IAQSDPMPSFAZNA-UHFFFAOYSA-N 382.328 1.925 5 40 GDBB Nc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 5277597 BBFLLIVPSSXXKH-QGZVFWFLSA-N 385.376 1.934 5 40 GDBB O=C1c2ccccc2S(=O)(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 7782432 WTSFSQZZJGIMMR-UHFFFAOYSA-N 376.346 1.806 5 40 GDBB C[C@@H]1CN(C(C)(C)CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 45799475 PHWJSTPOOUDNAQ-ZIAGYGMSSA-N 385.486 1.902 5 40 GDBB CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O 101461378 RMLNYKUAIHGDBI-SECBINFHSA-N 375.790 1.062 5 40 GDBB CCCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1C 103627598 FMVRKTYIAWOLJY-PYCFMQQDSA-N 382.420 1.980 5 40 GDBB O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 9427142 ZWRWBWRKTYDAKQ-UHFFFAOYSA-N 383.813 1.957 5 40 GDBB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc([N+](=O)[O-])c1 71980283 KTXCHTFQGLOVBW-OAHLLOKOSA-N 377.397 1.723 5 40 GDBB Cn1c2c(c(=O)n(C)c1=S)[C@H](c1cc([N+](=O)[O-])ccc1N1CCOCC1)O2 4185882 JDMHXGIWTIIOOL-AWEZNQCLSA-N 390.421 1.680 5 40 GDBB O=C([C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1)N1CCOCC1 8116351 CQERTVYTULVXSG-SFHVURJKSA-N 397.387 1.861 5 40 GDBB CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 40050134 QLIKLOSMXUUROD-LBPRGKRZSA-N 395.441 1.608 5 40 GDBB CN(C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 58174434 FTTKPRGLLSPEBF-UHFFFAOYSA-N 387.458 1.489 5 40 GDBB CCn1nnc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 57316624 QQRJFFDIBSMTKB-UHFFFAOYSA-N 390.429 1.328 5 40 GDBB Nc1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 5277594 BBFLLIVPSSXXKH-KRWDZBQOSA-N 385.376 1.934 5 40 GDBB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)n1 8771435 RQZPONAVTIQCOA-UHFFFAOYSA-N 384.400 1.948 5 40 GDBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1CN1CCOCC1 17333480 IQFKVBTUBVQRKR-UHFFFAOYSA-N 391.449 1.906 5 40 GDBB C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 169299559 GBVRGGHOJXRVAO-JRRBAZMTSA-N 398.371 1.516 5 40 GDBB Cn1/c(=N\C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc2ccccc21 104992281 DVBCQOJOGCKQLP-VHEBQXMUSA-N 396.384 1.872 5 40 GDBB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 13041023 VWZSJSPSHXJWLJ-UHFFFAOYSA-N 376.804 1.799 5 40 GDBB CCN(CC)S(=O)(=O)c1ccc(N(C)CC(=O)NC2CC2)c([N+](=O)[O-])c1 17282219 ODZDPYLSCHLQJH-UHFFFAOYSA-N 384.458 1.340 5 40 GDBB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 103561995 ZSLLUSXLNCPFEP-FPCVCCKLSA-N 396.403 1.924 5 40 GDBB O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O)NC[C@H]1CCCO1 409216125 FLEDMBXXPPYUIS-HRYODUOUSA-N 391.405 1.926 5 40 GDBB C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 13151854 GBVRGGHOJXRVAO-GSHBDLQKSA-N 398.371 1.516 5 40 GDBB CC(=O)O[C@H]1CO[C@H](Oc2ccccc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 22065211 RSBQRDKQQIICFV-VVLHAWIVSA-N 397.336 1.125 5 40 GDBB CSc1ccc([N+](=O)[O-])c(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)c1 79096370 SYIXEUMGHUMEAH-LBPRGKRZSA-N 376.481 1.876 5 40 GDBB COc1c2cc3c(=O)oc(=O)c3cc2c(OC)c2cc3c(=O)oc(=O)c3cc12 3843435 CJOVYKPAZZVEBR-UHFFFAOYSA-N 378.292 1.819 5 40 GDBB biogenic C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100535218 BTWSFRYVPCVJKN-ZMPPFODHSA-N 398.371 1.516 5 40 GDBB O=C(CCc1nc(-c2nc[nH]n2)no1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 78718609 MGPSGJUAUNSSCI-UHFFFAOYSA-N 398.383 1.044 5 40 GDBB O=C(NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccnc1 4888752 PAXOMVNNKKRFKC-UHFFFAOYSA-N 390.421 1.573 5 40 GDBB COc1cc(NC(=O)CSc2nnc(C3CC3)n2N)c(C)cc1[N+](=O)[O-] 9127652 SGOKKGINTLIDFA-UHFFFAOYSA-N 378.414 1.825 5 40 GDBB CCOC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)C1=O 13897590 LMTDHXOGPOMDKG-WZUFQYTHSA-N 382.350 1.908 5 40 GDBB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 223775200 AEROBLIWEFATFP-UHFFFAOYSA-N 395.412 1.859 5 40 GDBB O=C(O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225032716 XDVLYAVMTRZZDK-UHFFFAOYSA-N 394.361 1.646 5 40 GDBB Cc1c(NC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cccc1[N+](=O)[O-] 58086160 XBJBSSALICEEPA-YOEHRIQHSA-N 378.429 1.762 5 40 GDBB O=[N+]([O-])c1cc(Cl)c(Nc2nc3nonc3n3cnnc23)c([N+](=O)[O-])c1 13389025 AVCWFUOLCKIIPE-UHFFFAOYSA-N 377.664 1.874 5 40 GDBB CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 22416229 IYCOAIQNDQSYBH-UHFFFAOYSA-N 392.412 1.404 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])o2)NC(=O)N(C)[C@]1(O)C(F)(F)F 5592484 FBGBAWSNIDLYTR-YGOYTEALSA-N 381.263 1.314 5 40 GDBB COc1cc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc(OC)c1 21587087 QADRIEOUMPESIN-UHFFFAOYSA-N 387.348 1.976 5 40 GDBB O=C(NC[C@@H]1CCCO1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O 199411398 ZTYPEHIJOGLZPE-DOTOQJQBSA-N 385.376 1.476 5 40 GDBB C[C@@H]1CN([C@H](C)CNC(=O)C[S@@](=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 245225335 SIMCLNUADQXRBI-SMTLLYMTSA-N 383.470 1.316 5 40 GDBB CCSc1nnc(C(F)F)n1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 2792252 AQARFCYUWTUAMM-UHFFFAOYSA-N 375.361 1.820 5 40 GDBB Cc1nn(CCCNC(=O)CCn2ncc([N+](=O)[O-])c2C)cc1Br 2794004 UDJLUKMAUZMXBP-UHFFFAOYSA-N 399.249 1.964 5 40 GDBB O=[N+]([O-])c1cccnc1N=c1[nH]c(N2CCOCC2)nc(=Nc2ccccc2)[nH]1 408674556 AJAWYRPYRQGKKR-UHFFFAOYSA-N 394.395 1.342 5 40 GDBB O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 100857455 WOCJGMGYXGLURX-ZBFHGGJFSA-N 381.300 1.616 5 40 GDBB Cn1ccnc1C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1nccn1C 599386322 AKEVPIKJLOQNEB-UHFFFAOYSA-N 390.425 1.271 5 40 GDBB O=c1cccc2n1C[C@@H]1C[C@H]2CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 5443588 IOKUCYPMQMZKMO-OLZOCXBDSA-N 375.406 1.565 5 40 GDBB biogenic CN(C)c1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2)cc1[N+](=O)[O-] 5842414 AMALLSQXSXVRIE-UHFFFAOYSA-N 392.437 1.256 5 40 GDBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C(C)C)N2CCOCC2)c1C 12982897 QGVPIHVPVBODHE-MRXNPFEDSA-N 385.486 1.847 5 40 GDBB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccccc1[N+](=O)[O-] 409218231 DPGYKYMQZACDLH-UHFFFAOYSA-N 395.327 1.820 5 40 GDBB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O 409201440 MVSOUBXYDRLVEM-JYRVWZFOSA-N 395.393 1.489 5 40 GDBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3nccc(O)n3)cc21 408542664 KRBLDNNDLDPJJF-UHFFFAOYSA-N 390.381 1.012 5 40 GDBB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1c([N+](=O)[O-])cnn1C)CCCC3 2778901 NMACDJKTHIKCJD-UHFFFAOYSA-N 388.409 1.671 5 40 GDBB N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225238984 ZZFNXZPJDDBBOP-UHFFFAOYSA-N 384.396 1.883 5 40 GDBB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1 6653917 OYPNVDQGADQNJG-UHFFFAOYSA-N 383.316 1.373 5 40 GDBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)NC1CC1 9885033 ZUQAJCPJTGMBDP-HNNXBMFYSA-N 397.815 1.824 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 251162927 RYPPADQGEWNFRU-YDHLFZDLSA-N 381.454 1.974 5 40 GDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nnnn2-c2ccccc2)CC1 12974911 ZKSRUWLKZCULJT-UHFFFAOYSA-N 379.380 1.533 5 40 GDBB O=C(Cn1cnc2ccc(F)cc2c1=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 12981116 CLPRVWQQAGTSGR-INIZCTEOSA-N 386.339 1.294 5 40 GDBB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 24223947 WLOZXCKSSJVWCA-TXEJJXNPSA-N 391.380 1.835 5 40 GDBB C[N+]12C(=O)C[C@@H]3OCC=C4C[N+]5(C)CC[C@@]6(c7ccccc71)[C@@H]2[C@H]3[C@H]4C[C@@]65O 103843652 UHPKVXPIJLPEII-RCGCLFPNSA-N 380.488 1.688 5 40 GDBB CCCS(=O)(=O)NC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 47272303 XTHOAVDTRCQYHL-UHFFFAOYSA-N 381.458 1.696 5 40 GDBB CC(C)C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 3360432 WVPZOVTWNUBXMQ-NSHDSACASA-N 386.792 1.813 5 40 GDBB O=C(NCCNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cnccn1 7871462 CRLZHCLMUMMVKK-UHFFFAOYSA-N 381.348 1.805 5 40 GDBB Cc1ccc(N2CCCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)nn1 84191763 XODACEDKYHNBLF-UHFFFAOYSA-N 391.453 1.813 5 40 GDBB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 409072163 IWWAZDQDLOGLET-AACITZPUSA-N 380.334 1.921 5 40 GDBB CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 1794526 QOHLVTLPOCXGIL-WDMOLILDSA-N 391.302 1.721 5 40 GDBB COc1ccc(CN2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)cc1OC 47331006 BMSCUMZHWDYGHT-UHFFFAOYSA-N 375.429 1.976 5 40 GDBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 56099634 CNUBQDODCSKBAS-CYBMUJFWSA-N 377.426 1.641 5 40 GDBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100285942 MOEYYLKQHAXOSV-AODFDATNSA-N 381.388 1.975 5 40 GDBB Cn1cnnc1Sc1cc(C=O)cc([N+](=O)[O-])c1Sc1nncn1C 3337426 KSVWUJJDVWYFIX-UHFFFAOYSA-N 377.411 1.967 5 40 GDBB CCN(C(=O)[C@@H](C)Oc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 7772169 XFUOYMUCFFGVCR-NEPJUHHUSA-N 386.426 1.406 5 40 GDBB O=[N+]([O-])c1ccc(N2N=N[C@@H](CN3CCOCC3)[C@H]2N2CCOCC2)cc1 31771885 VBJOJOJOHCKBLS-IRXDYDNUSA-N 376.417 1.141 5 40 GDBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 32143779 LNBDNCZDCXWZTP-UHFFFAOYSA-N 386.407 1.808 5 40 GDBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 19229489 OTZSGDDSGZSMRF-GOSISDBHSA-N 385.420 1.793 5 40 GDBB Cc1cc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(-n2nc(C)cc2C)n1 4496073 XSJRLQZGJXSMNQ-UHFFFAOYSA-N 382.380 1.901 5 40 GDBB COc1nn(CCCNS(=O)(=O)c2cnn(C(F)F)c2C)cc1[N+](=O)[O-] 36614518 WLTQCCJZYWFERI-UHFFFAOYSA-N 394.360 1.069 5 40 GDBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCCc2ccccc21 6945750 ZLROORZFZNWZGU-UHFFFAOYSA-N 397.387 1.847 5 40 GDBB CCSc1n[nH]c(-n2ccc3nc4ccn(CCOC)c(=O)c4cc3c2=O)n1 40398918 DIMYJGWKBOYCCY-UHFFFAOYSA-N 398.448 1.577 5 40 GDBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12813993 RDJUEXIOPZZNKR-GFCCVEGCSA-N 394.409 1.007 5 40 GDBB Cn1nc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2c1=O 6402069 MGLKQTUCSFHCGF-UHFFFAOYSA-N 382.332 1.637 5 40 GDBB O=C(NC[C@H]1CCCO1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O 199411431 ZTYPEHIJOGLZPE-NVXWUHKLSA-N 385.376 1.476 5 40 GDBB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 104278546 FWCMNEXYOXBNFP-OAHLLOKOSA-N 375.381 1.502 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 106213586 ZQMXZPKKTGFRJZ-MJVIPROJSA-N 391.302 1.721 5 40 GDBB CNc1ccc(S(=O)(=O)NCC(=O)OCc2c(C)noc2C)cc1[N+](=O)[O-] 9493615 PEZDELWCWAPUPK-UHFFFAOYSA-N 398.397 1.263 5 40 GDBB O=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1cccc([N+](=O)[O-])c1 3358276 DZCIDYPWTLNRHA-UHFFFAOYSA-N 384.392 1.379 5 40 GDBB COC(=O)c1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 408563428 AJWZVIPCGXOYRV-GZRFBZBPSA-N 381.388 1.995 5 40 GDBB O=C(OCC(=O)N1CCCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4839435 FFYXDHRPNLMQEV-UHFFFAOYSA-N 391.424 1.991 5 40 GDBB CCOc1ccc(NC(=O)C[C@@H](NCc2cccnc2)C(=O)O)c([N+](=O)[O-])c1 5258748 AOJGKHIAOYZBFL-OAHLLOKOSA-N 388.380 1.960 5 40 GDBB O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1c[nH]c(C(=O)N2CCCC2)c1 32331982 QQWUTVFASYGUDL-UHFFFAOYSA-N 384.348 1.950 5 40 GDBB C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 11025956 YJYHDWPJIJRQDD-SNVBAGLBSA-N 393.377 1.426 5 40 GDBB CCN(CC)CCCNC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C 3094537 ZIXDPVYIRBCVOB-UHFFFAOYSA-N 376.255 1.710 5 40 GDBB COc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cn1 9339380 KCISXINULFNEKO-UHFFFAOYSA-N 394.409 1.763 5 40 GDBB CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N(C)C(=O)N=C3O)[C@@H]2C1 17015856 OFMVHXRWZWKHGH-KSSFIOAISA-N 387.396 1.196 5 40 GDBB Cc1cc(NC(=O)COC(=O)Cn2c(C)csc2=O)c([N+](=O)[O-])cc1C 22374299 MYYDQYGJJVXCNA-UHFFFAOYSA-N 379.394 1.925 5 40 GDBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2S1(=O)=O 4940723 WFIQMXZHXWXODE-JTQLQIEISA-N 375.362 1.767 5 40 GDBB O=C(C1=NN[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12)c1ccc([N+](=O)[O-])cc1 98086180 FXQVBGFDZSRHIO-GDBMZVCRSA-N 378.344 1.291 5 40 GDBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 408620479 JHIJELHVKIZBMT-PNZLXGSGSA-N 381.388 1.895 5 40 GDBB CN(C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 4140062 HJTIYRISQZFFQL-AWEZNQCLSA-N 381.454 1.844 5 40 GDBB CCOC(=O)C1CCN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 6910572 PPSGRDPKLYLSOE-UHFFFAOYSA-N 391.424 1.847 5 40 GDBB COCCn1nc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)ccc1=O 16046799 NZOJCAARFIXCNC-UHFFFAOYSA-N 375.366 1.660 5 40 GDBB O=C(COCC(=O)N1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 18179533 SWAPYTKQVGLKSE-UHFFFAOYSA-N 399.407 1.294 5 40 GDBB CCOC(=O)Cn1c(=O)n2nc(-c3ccc(C)cc3)c(=O)nc2c2ccccc21 95469588 LCUSJKMUKUWFED-UHFFFAOYSA-N 390.399 1.943 5 40 GDBB CSC[C@@H](CCO)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 95426701 JTPCXSNJHUFDLX-LLVKDONJSA-N 383.426 1.513 5 40 GDBB Nc1nonc1-n1nnc(C(=O)N2CCCCC2)c1-c1ccc([N+](=O)[O-])cc1 3668215 UBWDAONWCJVVTC-UHFFFAOYSA-N 384.356 1.434 5 40 GDBB COCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3cc(C)ccc3nc21 100627953 XDCMGTSAOMQIBD-UHFFFAOYSA-N 395.463 1.756 5 40 GDBB O=C(c1ccc(=O)[nH]n1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 8294838 ZXYTWWLVQWVRBT-UHFFFAOYSA-N 397.313 1.659 5 40 GDBB CC(=O)O[C@H]1CO[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]1OC(C)=O 35645803 RSBQRDKQQIICFV-HZMVEIRTSA-N 397.336 1.125 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N(C)[C@]1(O)C(F)(F)F 57531313 FZBUQKUKCOBWOJ-COPLHBTASA-N 391.302 1.721 5 40 GDBB COc1ccc([N+](=O)[O-])cc1COC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 36773481 UQMZAZFEVSJSDQ-KRWDZBQOSA-N 377.353 1.367 5 40 GDBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H](N2CCC3(CC2)OCCO3)C1=O 104346176 CNOXWDSACJOSBL-OAHLLOKOSA-N 375.381 1.374 5 40 GDBB CC1CCN(c2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])CC1 20502615 WZGVQRLYAHURQW-UHFFFAOYSA-N 379.465 1.338 5 40 GDBB CCNC(=O)COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 26548646 DXILQWJPXFMKES-UHFFFAOYSA-N 379.394 1.911 5 40 GDBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)o1 408597608 VLHFMOMTSUJVTC-KPKJPENVSA-N 387.304 1.841 5 40 GDBB CCN(CC)C(=O)CN1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 32825726 LXJJOCHHEQKMDJ-UHFFFAOYSA-N 398.485 1.160 5 40 GDBB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 8744694 VVOXMRXYAIVUTP-SNVBAGLBSA-N 390.421 1.292 5 40 GDBB C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(c2ccccc2[N+](=O)[O-])CC1 14924065 JRJXLLKFSDBQAF-CYBMUJFWSA-N 377.445 1.730 5 40 GDBB CCCCOC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 19418294 WPTDIOVWVGGHEZ-HNNXBMFYSA-N 382.417 1.803 5 40 GDBB C/C=C1\C[C@H]2[C@@H](O)[C@@]34Nc5ccccc5[C@@]3(CC[N@@+]4(C)C1)[C@]2(CO)C(=O)OC 253403229 PPJZICORVBPYAP-VNZFWLOASA-N 385.484 1.389 5 40 GDBB biogenic,in-vitro CCOc1ccc(NC(=O)C[C@H](NCc2cccnc2)C(=O)O)c([N+](=O)[O-])c1 5258747 AOJGKHIAOYZBFL-HNNXBMFYSA-N 388.380 1.960 5 40 GDBB Cc1nn(CC(=O)OCC(=O)Nc2cccc3nsnc23)c(C)c1[N+](=O)[O-] 19077030 QPMKWJAVOVLBMB-UHFFFAOYSA-N 390.381 1.595 5 40 GDBB COCCCn1ccc2nc3ccn(-c4nc(SC)n[nH]4)c(=O)c3cc2c1=O 40398872 OWPVMQDPHVRZCH-UHFFFAOYSA-N 398.448 1.577 5 40 GDBB C[C@H]1CN(S(=O)(=O)CCNc2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)O1 58202288 VDVUWLJBEGIXRE-BETUJISGSA-N 394.453 1.994 5 40 GDBB O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 101078099 VWWLKROYCVMWQW-HIFRSBDPSA-N 382.288 1.796 5 40 GDBB C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 169299558 GBVRGGHOJXRVAO-OBWXAGNPSA-N 398.371 1.516 5 40 GDBB COCC(=O)N[C@@H]1CCCC[C@@]12CN(Cc1cc(O)ccc1[N+](=O)[O-])CCO2 306137142 QMMAUDHCVKKUKG-IEBWSBKVSA-N 393.440 1.577 5 40 GDBB CCN(CC)C(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 48367022 BOEFJAHWZVPNNV-UHFFFAOYSA-N 377.445 1.921 5 40 GDBB CCOc1ccc(C(=O)NC(=S)NCCCN2CCOCC2)cc1[N+](=O)[O-] 20146166 RQCDGRKYZDDAPW-UHFFFAOYSA-N 396.469 1.320 5 40 GDBB COCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 4719371 JUFOLCDPHKFWNR-UHFFFAOYSA-N 393.421 1.553 5 40 GDBB C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](C)C(=O)Nc1ncccc1O 588862031 JFWMVHUJOKQOOS-MNOVXSKESA-N 376.373 1.062 5 40 GDBB Cc1cc(N2CCN(c3ccc(O)cc3)CC2)nc(-n2cc([N+](=O)[O-])cn2)n1 4331247 SEZFOTZJLYNVMK-UHFFFAOYSA-N 381.396 1.911 5 40 GDBB CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 11691743 XHAVSRIVCHTHDE-KWBADKCTSA-N 393.343 1.544 5 40 GDBB COC(=O)C(C(=O)OC)[C@@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1 5416019 WPMSAILIKIMHNF-OLZOCXBDSA-N 397.405 1.080 5 40 GDBB Cc1ccn2c(=O)cc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)nc2c1 32747371 IWBVTUFTUPJMLS-UHFFFAOYSA-N 383.316 1.997 5 40 GDBB C[C@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 24927661 PVZKHOOAZPUVFT-NSHDSACASA-N 379.394 1.673 5 40 GDBB COC(=O)c1cc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1 7978133 YRLKQOHKXXEZKB-UHFFFAOYSA-N 386.316 1.495 5 40 GDBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(c3c(C)nn(C)c3C)=NO[C@H]2C1=O 101484619 LFBTWLFHHRIBMD-GOEBONIOSA-N 399.363 1.246 5 40 GDBB CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 103561998 ZSLLUSXLNCPFEP-KLHDSHLOSA-N 396.403 1.924 5 40 GDBB O=C(c1ccccc1)N1CCN2CN(C(=O)c3ccccc3)C[C@]([N+](=O)[O-])(C2)C1 19312749 UNCUUZRTRBZZLH-NRFANRHFSA-N 394.431 1.573 5 40 GDBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccccc2)CC1 2765118 SROSHZMUJSEJEE-UHFFFAOYSA-N 375.406 1.742 5 40 GDBB O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1 3040476 UKYVEAGJZRGRAS-HZPDHXFCSA-N 389.320 1.349 5 40 GDBB O=C(NCc1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 25760663 KNPFROXVCAUMJD-UHFFFAOYSA-N 384.392 1.452 5 40 GDBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NCc1ccc2c(c1)OCO2 5965974 KKSFQRZQRNBAJL-UHFFFAOYSA-N 382.332 1.350 5 40 GDBB CCOC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2C)o1 10385719 MZQLLVOMONJGMR-UHFFFAOYSA-N 380.382 1.871 5 40 GDBB C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1N=NN(c2ccc([N+](=O)[O-])cc2)[C@H]31 100123193 XKMNRBHVUONMEI-RURCBZJYSA-N 399.363 1.243 5 40 GDBB CN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1ccnc(O)c1[N+](=O)[O-] 585138371 KVWIUMQCEXFFOT-UHFFFAOYSA-N 399.407 1.360 5 40 GDBB CC(C)N1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)NC1=S 8741341 JJYZCPASXGQEHB-RDTXWAMCSA-N 388.449 1.758 5 40 GDBB