smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(NCc1ccc2c(c1)CCNC2)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1875340670 MMIWKGNEAYAWNZ-UHFFFAOYSA-N 379.380 1.146 5 50 GDBA O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 225528588 PKKDURXYCLALDP-UHFFFAOYSA-N 395.297 1.968 5 50 GDBA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 239433702 YIDKAUYTIMRVNN-PXQICXGYSA-N 381.388 1.977 5 50 GDBA O=C(c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1 1122015 NGLXYSSAAZZRIX-UHFFFAOYSA-N 391.405 1.868 5 50 GDBA O=C(c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 104202986 KECMRIPMQWIQAU-UHFFFAOYSA-N 394.208 1.962 5 50 GDBA COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1782113 UVAWMVARZABKKG-OAHLLOKOSA-N 389.320 1.723 5 50 GDBA O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC[C@@]2(CCOC2)C1 154617265 OJCGYBOJTMWOMF-YVEFUNNKSA-N 379.438 1.900 5 50 GDBA O=C1[C@H](N[C@@H]2CCCC[C@@H]2N2CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 170089249 FNZBRMAEZIIIOW-QRVBRYPASA-N 388.468 1.933 5 50 GDBA CCCC(=O)N1CCN(c2cc(N3CCN(C)CC3)c(F)cc2[N+](=O)[O-])CC1 4701884 DZDGINKCFNPUFL-UHFFFAOYSA-N 393.463 1.934 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101325026 HEPRUBLURQSPOQ-NXKWAJLKSA-N 385.376 1.739 5 50 GDBA CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 4687603 NALRTGLNKRFADN-CQSZACIVSA-N 384.458 1.267 5 50 GDBA 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 169690336 BTWSFRYVPCVJKN-YKSRAPIUSA-N 398.371 1.516 5 50 GDBA Cc1nc(S(=O)(=O)N2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cn1C 122580336 CWHBYCDHFCHKAY-ZDUSSCGKSA-N 393.469 1.704 5 50 GDBA O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CNC[C@H]2O)cc1 725373454 NNEGNHAKWVYUJL-IAGOWNOFSA-N 377.422 1.118 5 50 GDBA COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 4700063 PEKRSCQRSKEFFN-RZIFZGNASA-N 378.381 1.855 5 50 GDBA Cc1[nH]nc(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)c1[N+](=O)[O-] 277237784 CCQVXYXVVYKUGP-LLVKDONJSA-N 397.229 1.970 5 50 GDBA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc([N+](=O)[O-])cc1 4099560 LRQXDKAQYSRKPX-MKSNKDDYSA-N 393.392 1.761 5 50 GDBA CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O 229906132 HRQLXSMHQYLFTO-IFXJQAMLSA-N 386.408 1.983 5 50 GDBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3995573 BEKJHUVBTSAWSV-UHFFFAOYSA-N 391.405 1.868 5 50 GDBA COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] 2240543 GQKZEKXPBFKQNE-UHFFFAOYSA-N 387.377 1.900 5 50 GDBA CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 4143431 YVGHHYMCMFMAQZ-UHFFFAOYSA-N 391.453 1.684 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239309189 HGMNXALQHWMDIT-UWTIAYHASA-N 397.387 1.595 5 50 GDBA O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@H]1C=C[C@@]2(CO)O1 245226551 BPXFSCLEJBAKNO-ZAZJYDDPSA-N 395.165 1.163 5 50 GDBA O=[N+]([O-])c1ccc(CCS(=O)(=O)NCc2nc(-c3ccncc3)no2)cc1 170593376 DAGWHQWVTZBGCG-UHFFFAOYSA-N 389.393 1.702 5 50 GDBA COc1ccc(N2C(=O)C[C@H](NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1 95531945 KWZWAXKMKFYXPO-HNNXBMFYSA-N 385.380 1.332 5 50 GDBA CS(=O)(=O)c1ccc([S@](=O)CC(=O)OCc2ccccc2)c([N+](=O)[O-])c1 6682071 HOPVGZYLIFZCOP-VWLOTQADSA-N 397.430 1.849 5 50 GDBA CC[C@H](C(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F)n1nc([N+](=O)[O-])cc1C 6555274 DMFVXYIKNNFCLQ-OQPBUACISA-N 381.286 1.858 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239309187 HGMNXALQHWMDIT-OIXHTRDQSA-N 397.387 1.595 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=S)NCc1ccc(S(N)(=O)=O)cc1 16361004 POMQIBWRDFBMCC-UHFFFAOYSA-N 396.450 1.737 5 50 GDBA CC(C)n1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21 100630639 CWLJMSYRSSACCW-CYBMUJFWSA-N 381.436 1.618 5 50 GDBA COC(=O)CNC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C(=O)O)C2)c([N+](=O)[O-])c1 263196259 LVUWORISSOCLAR-CMPLNLGQSA-N 379.369 1.045 5 50 GDBA Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cn1 1471823896 AGQYVKLGZXMQKJ-CQSZACIVSA-N 394.409 1.036 5 50 GDBA O=C(c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 5027814 AMEYKPSPTKBUBK-UHFFFAOYSA-N 391.405 1.868 5 50 GDBA COC(=O)CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C(=O)O)C2)c([N+](=O)[O-])c1 263196264 LVUWORISSOCLAR-ZYHUDNBSSA-N 379.369 1.045 5 50 GDBA COc1cc(Nc2cnn(C[C@H](O)CN(C)OC)c2)c([N+](=O)[O-])cc1OC 2325828957 WSHJNDOSHAKQMV-GFCCVEGCSA-N 381.389 1.406 5 50 GDBA 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 239425690 VAEDPFZZMBPTFT-HENZOVJNSA-N 381.388 1.975 5 50 GDBA COCCNc1ccc(C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] 170601184 GVAXFYYXMQWTFZ-CQSZACIVSA-N 392.456 1.982 5 50 GDBA CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1ccc(-n2cncn2)cc1 4108604 UZTTYLWMSFPYRX-AWEZNQCLSA-N 376.369 1.370 5 50 GDBA CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)c1=N 100662455 TXJGYTHAUSXYAB-ZDUSSCGKSA-N 381.436 1.366 5 50 GDBA C[C@H](OC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(=O)Nc1cccc([N+](=O)[O-])c1 248321182 UFZHBZNCRFUHIX-MNRXQERYSA-N 393.421 1.919 5 50 GDBA N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 3861792 RKDYKIHMFYAPMZ-MRXNPFEDSA-N 398.423 1.595 5 50 GDBA biogenic,in-vitro O=[N+]([O-])c1cc2nc(N3CCOCC3)c(N3CCOCC3)nc2cc1[N+](=O)[O-] 15658881 IOPJJEXDYBXZJZ-UHFFFAOYSA-N 390.356 1.119 5 50 GDBA C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C[C@@H](C)O1 5587116 SZMCOSGGUCBUTK-ZIAGYGMSSA-N 398.485 1.145 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101324152 QOMRKBMSTBNJOO-NXKWAJLKSA-N 387.392 1.963 5 50 GDBA CCOC(=O)[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 170626172 XRJLMGDBBRXRNS-HNNXBMFYSA-N 379.394 1.959 5 50 GDBA Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 10386803 KWLHVYLRAPZUMP-UHFFFAOYSA-N 388.292 1.971 5 50 GDBA COc1ccc(N2C(=O)C[C@@H](NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1 4553049 KWZWAXKMKFYXPO-OAHLLOKOSA-N 385.380 1.332 5 50 GDBA C[C@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C[C@@H](C)N1C 170597578 IEUADSVNLDSMTA-BETUJISGSA-N 376.413 1.834 5 50 GDBA O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 899612 BWFFCEBMINMWOE-UHFFFAOYSA-N 393.396 1.881 5 50 GDBA O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc(Oc2ccc(F)cc2)c1 1097597 CFDQXCXHZXRQPY-YLFCFFPRSA-N 380.328 1.377 5 50 GDBA O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC[C@]2(CCOC2)C1 154616964 OJCGYBOJTMWOMF-PXAZEXFGSA-N 379.438 1.900 5 50 GDBA O=C(c1cc(-c2ccco2)[nH]n1)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 886024623 UAWIWJQOEZCGQI-NWDGAFQWSA-N 395.375 1.999 5 50 GDBA C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@]4(CO)C(=O)OC 252478202 AFJPGVUCVDCFPM-ZWISEHCYSA-N 385.484 1.389 5 50 GDBA biogenic,in-vitro COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O 763416536 MFNHZMCHNQQCFS-UHFFFAOYSA-N 380.444 1.047 5 50 GDBA CCOC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c([N+](=O)[O-])cc2c1=O 4168810 YDHDRFVVXBHMAG-UHFFFAOYSA-N 386.408 1.831 5 50 GDBA CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 2290642 SPHNYEYOEISWJU-FQEVSTJZSA-N 398.371 1.965 5 50 GDBA O=[N+]([O-])c1ccc(S(=O)(=O)NNC(=S)Nc2ccc3c(c2)OCO3)cc1 17080975 HYOZRBPHGFQPCE-UHFFFAOYSA-N 396.406 1.503 5 50 GDBA O=C1c2ccccc2S(=O)(=O)N1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 863047 MSENZEKLDNFOBN-LBPRGKRZSA-N 378.362 1.179 5 50 GDBA CN1CCN(S(=O)(=O)c2ccc(N(C)[C@@H]3CC3(C)C)c([N+](=O)[O-])c2)CC1 170615824 ZQRXGPUMNANJIL-MRXNPFEDSA-N 382.486 1.766 5 50 GDBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCN(C[C@@H]2CCOC2)CC1 266678831 KHUHCSJPXWJECP-AWEZNQCLSA-N 390.440 1.459 5 50 GDBA CC(=O)OCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 5092117 YIMBJRDTPMQXLF-RVDMUPIBSA-N 387.348 1.638 5 50 GDBA C[C@H](OC(=O)CCCCN1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 170619477 LXTJGVPMZSQXOH-AWEZNQCLSA-N 379.413 1.968 5 50 GDBA COc1ccc(OC)c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 2881487 NVAHYNBTGUPQQZ-UHFFFAOYSA-N 385.332 1.847 5 50 GDBA O=C(c1c[nH]nc1[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)N1CCOCC1 328605457 NTOCYEUYZBUHKU-ZDUSSCGKSA-N 386.412 1.569 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239309186 HGMNXALQHWMDIT-BTHOMQSPSA-N 397.387 1.595 5 50 GDBA O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1n1cnnc1 1158733 YTEQCNXRLJGBKE-RXCRORICSA-N 387.355 1.195 5 50 GDBA NC[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCO1 418088091 JHIUXPXSSAJPKK-CYBMUJFWSA-N 376.335 1.873 5 50 GDBA 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 239159652 MOEYYLKQHAXOSV-HENZOVJNSA-N 381.388 1.975 5 50 GDBA 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 253488220 ZSLLUSXLNCPFEP-QXSJWSMHSA-N 396.403 1.924 5 50 GDBA CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 725012 MXTNZVIHCBHWBV-UHFFFAOYSA-N 394.409 1.522 5 50 GDBA CCCc1cc2c(=O)n(NC(=O)Cn3cc([N+](=O)[O-])cn3)c(C)nc2s1 8455468 KJUFWZOXTHXQCI-UHFFFAOYSA-N 376.398 1.594 5 50 GDBA O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc(Oc2ccc(F)cc2)c1 15240496 CFDQXCXHZXRQPY-VVLHAWIVSA-N 380.328 1.377 5 50 GDBA Cc1cc([N+](=O)[O-])nn1C[C@@H](C)c1n[nH]c(=S)n1CCCN1CCOCC1 20608500 ARXYQBOZIJOQIE-GFCCVEGCSA-N 395.489 1.880 5 50 GDBA O=C([C@@H]1COc2ccccc2O1)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 827776351 JXGAHMPERDHMLL-LXIYXOSZSA-N 397.387 1.542 5 50 GDBA biogenic CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(Cc1ccccc1)C2=O 8974214 DHFFGQZTWVXRPV-FQEVSTJZSA-N 394.387 1.852 5 50 GDBA CCCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3cccc(C)c3nc21 100627801 ILTIVSWYMRRPHU-AWEZNQCLSA-N 395.463 1.756 5 50 GDBA aggregator O=C(NC[C@H]1CCCO1)c1cc(C(=O)NC[C@H]2CCCO2)cc([N+](=O)[O-])c1 1090077 GLRAKKODIDKUJS-HZPDHXFCSA-N 377.397 1.412 5 50 GDBA Cc1nn(CCc2nnc(SCC(=O)NCC(C)C)n2C)c(C)c1[N+](=O)[O-] 2793156 ZQHIRWGUWXESGS-UHFFFAOYSA-N 395.489 1.644 5 50 GDBA COCCNC(=O)CN1CCN(c2ccc3cc(F)cc([N+](=O)[O-])c3n2)CC1 170601976 HGWDPCGYAXRXHA-UHFFFAOYSA-N 391.403 1.167 5 50 GDBA COc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 1137237 VFHCNHIUQSIKQL-UHFFFAOYSA-N 393.421 1.686 5 50 GDBA CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1 3827362 VHXNKPBCCMUMSW-FQEVSTJZSA-N 393.355 1.988 5 50 GDBA biogenic,in-man O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC[C@]2(CCOC2)C1 154617072 OJCGYBOJTMWOMF-SJCJKPOMSA-N 379.438 1.900 5 50 GDBA Cn1ccnc1N1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 170613260 FXUDTFYLOURTEE-UHFFFAOYSA-N 399.860 1.929 5 50 GDBA COc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])cc1OC 2865436 JVCMNQJAWKSNON-UHFFFAOYSA-N 389.364 1.803 5 50 GDBA O=C(c1cccc([N+](=O)[O-])c1)c1no[n+]([O-])c1C(=O)c1cccc([N+](=O)[O-])c1 4897504 GMWNPLNJXHHCBT-UHFFFAOYSA-N 384.260 1.586 5 50 GDBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O 2869370 ZMXZRUNVCHPVFU-UHFFFAOYSA-N 385.442 1.772 5 50 GDBA O=[N+]([O-])c1cc([N+](=O)[O-])c(N(C[C@@H](O)CO)c2ccccc2)c([N+](=O)[O-])c1 100288813 AZTZOPQAOMOKBX-GFCCVEGCSA-N 378.297 1.903 5 50 GDBA CCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3cccc(C)c3nc21 100627718 HZIIEPWVJGUUGM-UHFFFAOYSA-N 377.404 1.980 5 50 GDBA Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 177394976 RHNSHXFSCJKRIP-OAHLLOKOSA-N 399.329 1.635 5 50 GDBA O=[N+]([O-])c1cc([N+](=O)[O-])c(N(C[C@H](O)CO)c2ccccc2)c([N+](=O)[O-])c1 100288812 AZTZOPQAOMOKBX-LBPRGKRZSA-N 378.297 1.903 5 50 GDBA N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 3861791 RKDYKIHMFYAPMZ-INIZCTEOSA-N 398.423 1.595 5 50 GDBA biogenic,in-vitro COc1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 1142890 ACMMNSMSBHAYLB-UHFFFAOYSA-N 393.421 1.686 5 50 GDBA CCc1n[nH]c(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n1 40399157 WMVMYZUVYLRGDB-GFCCVEGCSA-N 392.419 1.560 5 50 GDBA Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4nn(C)cc4[N+](=O)[O-])nc3c12 2791237 GLKGJIKTSOTIJD-UHFFFAOYSA-N 386.397 1.658 5 50 GDBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 754830 OPSYRIKVJWBFNV-UHFFFAOYSA-N 391.405 1.868 5 50 GDBA O=[N+]([O-])c1cccc([Sn](=O)c2cccc([N+](=O)[O-])c2)c1 169818906 RWKRNJYXVHFKBH-UHFFFAOYSA-N 378.916 1.039 5 50 GDBA CCCc1cc2c(=O)n(NC(=O)c3nn(C)cc3[N+](=O)[O-])c(C)nc2s1 2735350 KPKZHNUPUQMEST-UHFFFAOYSA-N 376.398 1.745 5 50 GDBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cc(O[C@H]2CCNC2)ccn1 725372897 BONJZDJABJICKC-AWEZNQCLSA-N 378.410 1.209 5 50 GDBA O=C(O)C1CCN(S(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 4053196 SZFZFCJWQKWADG-UHFFFAOYSA-N 383.426 1.680 5 50 GDBA CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 4331907 LJXFPBSEQZOKMR-UHFFFAOYSA-N 380.426 1.882 5 50 GDBA Cc1ccc(C(=O)N2CC[C@@H](N(C)Cc3cc(O)nc(N)n3)C2)cc1[N+](=O)[O-] 435044111 SKLUJTMIAKCVNP-CQSZACIVSA-N 386.412 1.328 5 50 GDBA COC(=O)C[C@@]1(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CCCOC1 170598009 JVCVIOLGJLEYOP-KRWDZBQOSA-N 380.353 1.224 5 50 GDBA Cc1nn2c(c1[N+](=O)[O-])-n1nc(C)c([N+](=O)[O-])c1-n1nc(C)c([N+](=O)[O-])c1-2 8397437 HVYXIBARTMOARE-UHFFFAOYSA-N 375.261 1.207 5 50 GDBA CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C1=O 16156238 LMTDHXOGPOMDKG-VZUCSPMQSA-N 382.350 1.908 5 50 GDBA O=C(O)CCCNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 2272492 QKWWNXIYMCZUFU-SDNWHVSQSA-N 387.348 1.940 5 50 GDBA COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 2058270 BJUYPDZOTZNXHX-UHFFFAOYSA-N 394.361 1.969 5 50 GDBA CC[N+](CC)(CCn1c(C)cc(=O)n(C)c1=O)Cc1ccc([N+](=O)[O-])cc1 2383786 FCXXNAQGHKHBAX-UHFFFAOYSA-N 375.449 1.820 5 50 GDBA COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 843076 LNCKQUGIBBBBHG-UHFFFAOYSA-N 396.377 1.892 5 50 GDBA Cn1cc(-c2ccnc(C3CCN(C(=O)c4c[nH]nc4[N+](=O)[O-])CC3)n2)cn1 952891149 BFYVRYLOKFDNMB-UHFFFAOYSA-N 382.384 1.528 5 50 GDBA C[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C[C@@H](C)N1C 170597580 IEUADSVNLDSMTA-CHWSQXEVSA-N 376.413 1.834 5 50 GDBA Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4ccccc4)CC3)cc21 4708111 KNFYHYZOQDUIEM-UHFFFAOYSA-N 395.419 1.748 5 50 GDBA Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccccc3n2CCN2CCOCC2)n1 12649756 PLQDMWUEHAJZAE-UHFFFAOYSA-N 399.411 1.263 5 50 GDBA O=c1[nH]nc(-c2ccc(N3CCN(CCO)CC3)c([N+](=O)[O-])c2)c2ccccc12 19856982 JVGZJWWLNKHHPR-UHFFFAOYSA-N 395.419 1.613 5 50 GDBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1ccc2c(c1)OCO2 2884272 MJJRCVBBASEHQQ-UHFFFAOYSA-N 397.185 1.907 5 50 GDBA Cc1nn(CCc2n[nH]c(=S)n2CCCN2CCOCC2)c(C)c1[N+](=O)[O-] 20028569 LEOVGYVIBSCAEX-UHFFFAOYSA-N 395.489 1.627 5 50 GDBA COC(=O)c1cc(C(=O)N2CCC(C)(C)S(=O)(=O)CC2)cc([N+](=O)[O-])c1 170615541 UEYQFENXWPTJBQ-UHFFFAOYSA-N 384.410 1.421 5 50 GDBA Nc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)n1 13496792 RWDMIVIDDATSJT-UHFFFAOYSA-N 378.395 1.601 5 50 GDBA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc([N+](=O)[O-])c1O 35961627 UVGACNYOLGHBLQ-CYBMUJFWSA-N 397.409 1.843 5 50 GDBA CCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21 798959 YBIIMRSBHJYLAS-UHFFFAOYSA-N 380.429 1.981 5 50 GDBA Cc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 1152788 BNBVELREJFEGDD-UHFFFAOYSA-N 377.422 1.986 5 50 GDBA NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1183159 DWONOROTCDRISE-UHFFFAOYSA-N 383.813 1.868 5 50 GDBA CC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 4575589 JHWXLTZDFZQAKR-UHFFFAOYSA-N 378.410 1.944 5 50 GDBA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 226977952 BFAZOQCDOHPRFK-LVQVYYBASA-N 375.381 1.122 5 50 GDBA CCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc21 100627792 JYOBHKOJFXXOAL-UHFFFAOYSA-N 388.431 1.864 5 50 GDBA CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(C)cc3C)c2)CC1 4687413 FTZXOGGQBDFFKL-UHFFFAOYSA-N 393.469 1.869 5 50 GDBA C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239425693 VAEDPFZZMBPTFT-ZHTNZKAISA-N 381.388 1.975 5 50 GDBA CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)CC1 253420603 NXJPEQYGFIHIPQ-UHFFFAOYSA-N 377.430 1.094 5 50 GDBA O=C1C[C@@H]2O[C@H]([N+](=O)[O-])C=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 71782841 PRXAMJZPVTYMEL-XGQIMFJTSA-N 379.416 1.695 5 50 GDBA COCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21 100680112 VKUHGABSLLMDHX-UHFFFAOYSA-N 395.463 1.838 5 50 GDBA COC(=O)CN1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 253418928 FSLACMOXYSVSRZ-ZDUSSCGKSA-N 379.413 1.987 5 50 GDBA CN(CCCC(=O)NCc1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 6209793 SKBPUDUGOXDOOL-UHFFFAOYSA-N 392.437 1.707 5 50 GDBA O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCc1noc3ccccc13)OCCO2 225390693 XDIYYWAHXXKFMF-UHFFFAOYSA-N 391.361 1.986 5 50 GDBA CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)O 9235240 FKCHQVAUMXHVAZ-HWKANZROSA-N 377.309 1.004 5 50 GDBA CO[C@@H](CS(=O)(=O)Nc1nccc2c([N+](=O)[O-])cccc12)[C@@H]1CCOC1 888096680 HUXJCYYXHIQTJI-ABAIWWIYSA-N 381.410 1.936 5 50 GDBA CS(=O)(=O)c1ccc([S@@](=O)CC(=O)Oc2ccccc2)c([N+](=O)[O-])c1 6145977 HPTPNDZUQKXJFF-XMMPIXPASA-N 383.403 1.712 5 50 GDBA CN(c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)S(C)(=O)=O 1116400 HGDPQIROVLYHCN-UHFFFAOYSA-N 385.423 1.791 5 50 GDBA CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc([N+](=O)[O-])ccc3nc2-1 1587126 XLHNAFUKOSPOAT-FQEVSTJZSA-N 393.355 1.988 5 50 GDBA Cc1ccc2nc3c(cc(S(C)(=O)=O)c(=N)n3Cc3ccccc3)c(=O)n2c1 1775977742 VWZRTBVZOQSOIH-UHFFFAOYSA-N 394.456 1.889 5 50 GDBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 101471757 UOEPLLGZVDNILB-SGMGOOAPSA-N 397.453 1.674 5 50 GDBA COc1cc(NC(=O)c2cc([N+](=O)[O-])[nH]n2)ccc1S(=O)(=O)N1CCCC1 285414891 GFHMFGWVONDHEF-UHFFFAOYSA-N 395.397 1.363 5 50 GDBA 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 239047003 GBVRGGHOJXRVAO-YKSRAPIUSA-N 398.371 1.516 5 50 GDBA CCN(CC(=O)O)C1CC(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 414678694 JOIQFIPUOAWRTK-YGONEPDPSA-N 378.429 1.839 5 50 GDBA 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 239425691 VAEDPFZZMBPTFT-HSXSFOCCSA-N 381.388 1.975 5 50 GDBA O=C1[C@@H]2[C@H]3C=C[C@@](CNc4ccc([N+](=O)[O-])cn4)(O3)[C@@H]2C(=O)N1c1ccccc1 223989470 RUTDEKOGNOANKJ-PYQAKABTSA-N 392.371 1.915 5 50 GDBA O=C(N1CCCCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 4247831 LQKAYVBDYUNXIQ-UHFFFAOYSA-N 382.442 1.507 5 50 GDBA Cc1nc(N2CCOCC2)nc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] 4758673 ROKPHPJTTNWJFD-UHFFFAOYSA-N 384.440 1.856 5 50 GDBA Cc1nn(C)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCC4)c1[N+](=O)[O-] 2775042 RREXXURLJSUMPH-UHFFFAOYSA-N 388.409 1.589 5 50 GDBA CCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3cccc(C)c3nc21 100627734 BIMZWXCDAGUHGX-ZDUSSCGKSA-N 381.436 1.366 5 50 GDBA O=[N+]([O-])c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 13563531 MSSXBKQZZINCRI-UHFFFAOYSA-N 387.400 1.197 5 50 GDBA in-vitro Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-] 100535285 CXQJULGCQBTONZ-ZIAGYGMSSA-N 386.360 1.580 5 50 GDBA O=C(O)COc1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 2862769 MXQFROJPGOSZRY-UHFFFAOYSA-N 399.315 1.293 5 50 GDBA C[C@@H](c1ccccc1)[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 294430491 YQGVAQTWQYBTKH-UGSOOPFHSA-N 398.419 1.489 5 50 GDBA C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@H]3CCCNC3=O)c([N+](=O)[O-])c2)C1 252458593 VOKJAMAHJDUSBR-WFASDCNBSA-N 396.469 1.706 5 50 GDBA CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=N 100627314 XBFOTCPXOQHVGE-CYBMUJFWSA-N 382.420 1.793 5 50 GDBA C[C@@H]1O[C@H](Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)[C@H](O)[C@H](O)[C@H]1O 245238186 FLTTUASWHSPFOB-VVRBALCJSA-N 392.433 1.985 5 50 GDBA NS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 443000568 NGECJXVNSYSQDN-ZDUSSCGKSA-N 399.472 1.822 5 50 GDBA C[C@H](OC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(=O)Nc1cccc([N+](=O)[O-])c1 248321183 UFZHBZNCRFUHIX-SIMVJXQJSA-N 393.421 1.919 5 50 GDBA COc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] 36056542 MDALPVUFWAFHGF-UHFFFAOYSA-N 378.410 1.509 5 50 GDBA COc1ccc(Cn2ccc3nc4ccn(CCO)c(=O)c4cc3c2=O)cc1 36364896 NKMGSYJOVGDKMM-UHFFFAOYSA-N 377.400 1.761 5 50 GDBA N[C@H]1CCN(c2cccc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)C1 725373104 LENVGZBLUREHCO-LBPRGKRZSA-N 377.426 1.006 5 50 GDBA CCN1CCN(c2cc(N3CCN(C(C)=O)[C@@H](C)C3)c([N+](=O)[O-])cc2F)CC1 5027846 KZDAAQBDGCDWCN-AWEZNQCLSA-N 393.463 1.933 5 50 GDBA O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 899634 JKGCDHBKKSZRID-UHFFFAOYSA-N 393.396 1.881 5 50 GDBA O=C(O)[C@@H]1[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]2CC[C@H]1O2 245254622 BFAZOQCDOHPRFK-FPCVCCKLSA-N 375.381 1.122 5 50 GDBA Nc1ncc(Br)cc1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 225837770 RZOXVCIEVAIKGR-UHFFFAOYSA-N 394.185 1.589 5 50 GDBA C[C@@H]1O[C@H](Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)[C@H](O)[C@H](O)[C@@H]1O 245238183 FLTTUASWHSPFOB-NKEQUCRHSA-N 392.433 1.985 5 50 GDBA O=[N+]([O-])c1ccc(-n2nnnc2Cc2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1 16671399 DQYPUIQLOFKKQV-UHFFFAOYSA-N 394.311 1.045 5 50 GDBA COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 5345072 RJHBYJIILINUBV-UHFFFAOYSA-N 394.361 1.969 5 50 GDBA CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C=O)c2)C[C@H]1C(=O)O 169725295 HJIAULRRVXOIJG-AWEZNQCLSA-N 379.369 1.918 5 50 GDBA O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(Oc2ccc(F)cc2)c1 245254807 CFDQXCXHZXRQPY-MWDXBVQZSA-N 380.328 1.377 5 50 GDBA CCCc1[nH]nc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] 183773840 LMMPKIDLIQPLBN-HNNXBMFYSA-N 387.440 1.767 5 50 GDBA O=C([C@H]1COCCN1CC1CCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 225581423 LQWVLGZYDRDWRH-LJQANCHMSA-N 388.468 1.744 5 50 GDBA COC(=O)CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C(=O)O)C2)c([N+](=O)[O-])c1 263196260 LVUWORISSOCLAR-JQWIXIFHSA-N 379.369 1.045 5 50 GDBA CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1075985 SJVBLOURNRBBEE-UHFFFAOYSA-N 393.377 1.728 5 50 GDBA NC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 420447644 JYFVBGGTBPWOOZ-WPRPVWTQSA-N 378.248 1.763 5 50 GDBA NC(=O)C1CCN(C(=O)c2ccc3nc4cc(Cl)ccc4c(=O)n3c2)CC1 2965718 JKYQBAJBQLOISI-UHFFFAOYSA-N 384.823 1.839 5 50 GDBA COc1nn([C@H](C)C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)cc1[N+](=O)[O-] 1012152 MQSXNVTUFYFYEL-KQDJYFMNSA-N 383.258 1.168 5 50 GDBA CCCc1[nH]nc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] 183773860 LMMPKIDLIQPLBN-OAHLLOKOSA-N 387.440 1.767 5 50 GDBA O=c1nc2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2nc1Cc1ccccc1 13584014 RUYMXFFGXGRVFQ-LFIBNONCSA-N 392.396 1.558 5 50 GDBA Cc1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 1127972 CUQFYGKRKMLCPM-UHFFFAOYSA-N 377.422 1.986 5 50 GDBA O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1175036 SSDDEMNFEKNVFV-UHFFFAOYSA-N 393.396 1.881 5 50 GDBA CC1=NN(C(=O)[C@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)[C@](O)(C(F)(F)F)C1 6526396 XMXDUCNHSBNERN-FUXBKTLASA-N 377.323 1.903 5 50 GDBA CN(Cc1c(Br)cnn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 20608112 SVUURZCVUPWCOA-UHFFFAOYSA-N 389.231 1.912 5 50 GDBA COC(=O)COc1c(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cccc1OC 15009343 VALGBMAMOYDYGE-VOTSOKGWSA-N 377.309 1.115 5 50 GDBA O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CN(c1ccc(F)cc1)CN=2 2248448 BHLHLTFZHLADBQ-SXGWCWSVSA-N 384.392 1.841 5 50 GDBA COc1cc(CNC(=O)c2nc(Cn3ccc([N+](=O)[O-])n3)no2)cc(OC)c1 12418274 MBQDLTDVWQPGGW-UHFFFAOYSA-N 388.340 1.170 5 50 GDBA O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(c2cncc3ccccc23)CC1 170606226 FSLOAHPSMKBYEP-UHFFFAOYSA-N 393.403 1.654 5 50 GDBA Cc1ccc(C(=O)N2CC[C@H](N(C)Cc3cc(O)nc(N)n3)C2)cc1[N+](=O)[O-] 435044110 SKLUJTMIAKCVNP-AWEZNQCLSA-N 386.412 1.328 5 50 GDBA Cc1cc(=O)c(C(=O)N=c2nc[nH]n2C(C)(C)C)nn1-c1ccccc1[N+](=O)[O-] 328595016 IOOGCWFQNRAKPV-UHFFFAOYSA-N 397.395 1.470 5 50 GDBA O=C(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1 11917827 XFNGVMNIVSMLKR-UHFFFAOYSA-N 394.365 1.810 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101696639 QOMRKBMSTBNJOO-BNBDDXAPSA-N 387.392 1.963 5 50 GDBA CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N/C(=O)c1ccco1 101317818 YWHFEVNGAQNXKN-OQKWZONESA-N 392.371 1.697 5 50 GDBA NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1183331 ICPCOGVRGPWVER-UHFFFAOYSA-N 383.813 1.868 5 50 GDBA COCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 4578404 WBRQVVMDAMOTMZ-UHFFFAOYSA-N 393.421 1.553 5 50 GDBA COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 5047675 NLDQUQQTYRUULY-UHFFFAOYSA-N 379.394 1.863 5 50 GDBA O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1176383 OPUOSNKRJRDOFM-UHFFFAOYSA-N 376.394 1.137 5 50 GDBA O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1178000 DLRAORKSQWDQNY-UHFFFAOYSA-N 393.396 1.881 5 50 GDBA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CN1C 67817403 NHZXEGGNRCFFAK-PXAZEXFGSA-N 379.416 1.657 5 50 GDBA CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 4677201 FDNHUDPUZDQDJF-HNNXBMFYSA-N 398.485 1.657 5 50 GDBA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc([N+](=O)[O-])c1O 35961625 UVGACNYOLGHBLQ-ZDUSSCGKSA-N 397.409 1.843 5 50 GDBA C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCS(=O)(=O)C1 170614258 GDQVGWWURYVGBJ-CYBMUJFWSA-N 381.454 1.702 5 50 GDBA CN1CCN(S(=O)(=O)c2ccc(N(C)[C@H]3CC3(C)C)c([N+](=O)[O-])c2)CC1 170615823 ZQRXGPUMNANJIL-INIZCTEOSA-N 382.486 1.766 5 50 GDBA COc1cc(CCNC(=O)CCCCN2CCOCC2)c([N+](=O)[O-])cc1OC 170624895 DRUNIWASYIIROM-UHFFFAOYSA-N 395.456 1.773 5 50 GDBA O=C1[C@H]2[C@H](C(=O)N1CCCO)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 2999827 ZHJYGSGYWDBZTB-BKVYSMKUSA-N 378.384 1.649 5 50 GDBA CNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 4995464 QVMPWXNGRRTHGC-UHFFFAOYSA-N 393.421 1.853 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101324159 QOMRKBMSTBNJOO-BHWMQLMCSA-N 387.392 1.963 5 50 GDBA CCOC(=O)Cn1nc(C)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1C 1427203 ONNILAJZMSEOMC-UHFFFAOYSA-N 376.369 1.989 5 50 GDBA CCOC(=O)CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C 225765607 TXWYALJEHPDGMA-UHFFFAOYSA-N 392.149 1.801 5 50 GDBA O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1178391 MUUDWRYSXQPPBD-UHFFFAOYSA-N 393.396 1.881 5 50 GDBA O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1178714 CMNYJWPCYRDWSQ-UHFFFAOYSA-N 375.406 1.742 5 50 GDBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCN(C[C@H]2CCOC2)CC1 266678833 KHUHCSJPXWJECP-CQSZACIVSA-N 390.440 1.459 5 50 GDBA COc1ccc(S(=O)(=O)N[C@@H](C(N)=O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 490134105 YMRWXERJYFSDST-MEDUHNTESA-N 393.421 1.539 5 50 GDBA Nc1ncnc(Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1[N+](=O)[O-] 9391661 ZRYNDECFBNXGIG-UHFFFAOYSA-N 388.369 1.301 5 50 GDBA COC(=O)C(Cc1cnc(Cl)s1)(C(=O)OC)c1ccc([N+](=O)[O-])cn1 1396312 KNAHZBWZLVGBPC-UHFFFAOYSA-N 385.785 1.926 5 50 GDBA O=C1c2ccccc2S(=O)(=O)N1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 863048 MSENZEKLDNFOBN-GFCCVEGCSA-N 378.362 1.179 5 50 GDBA O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4820857 PDNJAUIREVJUOT-UHFFFAOYSA-N 383.364 1.853 5 50 GDBA Cc1[nH]nc(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)c1[N+](=O)[O-] 277237789 CCQVXYXVVYKUGP-NSHDSACASA-N 397.229 1.970 5 50 GDBA COc1ccc(CNC(=O)c2nc(Cn3cc([N+](=O)[O-])cn3)no2)cc1OC 12371330 YMSQKGHAMKPKBG-UHFFFAOYSA-N 388.340 1.170 5 50 GDBA CCn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n1 1875358147 LDXYUHFOAYYCPU-UHFFFAOYSA-N 376.192 1.770 5 50 GDBA O=C(N1CCCCCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 4866951 FDOYHQBYJWGQKB-UHFFFAOYSA-N 396.469 1.897 5 50 GDBA O=C(NC[C@@H]1CCCO1)c1cc(C(=O)NC[C@H]2CCCO2)cc([N+](=O)[O-])c1 12428304 GLRAKKODIDKUJS-IYBDPMFKSA-N 377.397 1.412 5 50 GDBA CN(C)CCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 4593828 HESADYAFBYKCOB-IDPGXWOASA-N 391.427 1.829 5 50 GDBA Cc1cc([N+](=O)[O-])c(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1N 4703592 VIOXLCGJRAYQJA-UHFFFAOYSA-N 376.438 1.996 5 50 GDBA CCC1(C)CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 253428616 MPSSDZSESSNWMA-UHFFFAOYSA-N 382.486 1.767 5 50 GDBA O=[N+]([O-])c1cccnc1N1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 169804846 RIJYRKXSVPTHLA-HNNXBMFYSA-N 376.388 1.691 5 50 GDBA O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC(=O)NCC(F)F 280147696 CRYRQZPOWIHDED-UHFFFAOYSA-N 398.288 1.913 5 50 GDBA COc1nn([C@@H](C)C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)cc1[N+](=O)[O-] 1012151 MQSXNVTUFYFYEL-UJOLQPBBSA-N 383.258 1.168 5 50 GDBA O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(n1)OCCO2 848841131 YMHOSBKTHDHRIQ-OAHLLOKOSA-N 385.332 1.723 5 50 GDBA O=c1nc2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2nc1Cc1ccccc1 1148968 RUYMXFFGXGRVFQ-WJDWOHSUSA-N 392.396 1.558 5 50 GDBA CN(C)CCN1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 4593826 HESADYAFBYKCOB-KLOMGHIOSA-N 391.427 1.829 5 50 GDBA CCN(CC)S(=O)(=O)c1ccc(NC[C@@H]2CN3CCN2CC3)c([N+](=O)[O-])c1 179076146 IYRZJMQPXHMYCR-CQSZACIVSA-N 397.501 1.037 5 50 GDBA C[C@H](c1ccccc1)[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 294430475 YQGVAQTWQYBTKH-ACJLOTCBSA-N 398.419 1.489 5 50 GDBA Cc1cc(Cl)c(S(=O)(=O)N(CCO)[C@H](C)CC(=O)O)cc1[N+](=O)[O-] 776685344 PGTZZOXQRMLCPC-SECBINFHSA-N 380.806 1.403 5 50 GDBA Cc1nc(S(=O)(=O)N2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cn1C 122580542 CWHBYCDHFCHKAY-CYBMUJFWSA-N 393.469 1.704 5 50 GDBA COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 4700062 PEKRSCQRSKEFFN-PPYMECGQSA-N 378.381 1.855 5 50 GDBA CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(Cc1ccccc1)C2=O 8974217 DHFFGQZTWVXRPV-HXUWFJFHSA-N 394.387 1.852 5 50 GDBA NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1134312 HJHOWECKONEYNF-BJMVGYQFSA-N 375.406 1.614 5 50 GDBA O=C(NC1CCCCC1)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 170600640 YCBXEAYWYCKHGD-UHFFFAOYSA-N 377.401 1.496 5 50 GDBA CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 12364422 BJFJFSCRHUWDAZ-UHFFFAOYSA-N 395.353 1.767 5 50 GDBA CCOC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc(C(C)=O)c1C 2916921 UJYHMXVGYAFBAB-UHFFFAOYSA-N 381.370 1.574 5 50 GDBA C[C@@H](C(=O)Nc1ccc(N2CCOCC2)c2nonc12)n1cc([N+](=O)[O-])cn1 2784057 NNETZPJKBIOLML-JTQLQIEISA-N 387.356 1.364 5 50 GDBA CCOc1cc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc([N+](=O)[O-])c1O 15016772 ATDDEYHHVLYQDE-ZDUSSCGKSA-N 375.341 1.753 5 50 GDBA CC(=O)Nc1ccc(-n2ccc3nc4ccn(CCO)c(=O)c4cc3c2=O)cc1 38829436 XFWOTYSJYDAFGC-UHFFFAOYSA-N 390.399 1.651 5 50 GDBA biogenic Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(=O)N2C[C@]34CC[C@@]3(COC4)C2)c1 2325813496 LVOBZPYAHZAESG-HOTGVXAUSA-N 381.410 1.414 5 50 GDBA C/C=C1/C[N@@+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC 252478200 AFJPGVUCVDCFPM-BUZGUNRKSA-N 385.484 1.389 5 50 GDBA biogenic O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCOCC1)c1ccccc1 19798347 NVCZZPZNNYLCKP-UHFFFAOYSA-N 398.419 1.909 5 50 GDBA COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCn2ccnc2)c1=N 100630692 XMLYDPPMVDICRR-UHFFFAOYSA-N 392.419 1.510 5 50 GDBA NC(=O)CNC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 727284355 YVYFAWLEPMSZMR-UHFFFAOYSA-N 391.375 1.095 5 50 GDBA Cc1nn(C(=O)Cn2cc([N+](=O)[O-])cn2)c(C)c1I 1069600 QBXMTIXFMYZXDC-UHFFFAOYSA-N 375.126 1.550 5 50 GDBA COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 2866878 WLSBGALRPYKBND-UHFFFAOYSA-N 379.394 1.863 5 50 GDBA CN(C)CCN1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 4593831 HESADYAFBYKCOB-LECRGTDLSA-N 391.427 1.829 5 50 GDBA Cc1nn(Cc2cccc(C(=O)Nn3cc([N+](=O)[O-])cn3)c2)c(C)c1[N+](=O)[O-] 8455221 CIQLQGHKJBGERM-UHFFFAOYSA-N 385.340 1.945 5 50 GDBA CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(N)=O)CC1 4844683 NQEGFXKKHLQBFB-UHFFFAOYSA-N 384.458 1.327 5 50 GDBA NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 444089939 QQSVPLKOJMTFHU-ZDUSSCGKSA-N 385.445 1.574 5 50 GDBA O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100348246 OFCSXXLCMRAVRU-DZGCQCFKSA-N 378.297 1.918 5 50 GDBA 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 253488219 ZSLLUSXLNCPFEP-JONQDZQNSA-N 396.403 1.924 5 50 GDBA CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)c1O 16225707 KYJPZAQFPHSQOU-VZUCSPMQSA-N 382.350 1.908 5 50 GDBA N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 17079237 MITLUQOMNGZGIX-UHFFFAOYSA-N 388.361 1.720 5 50 GDBA NS(=O)(=O)C[C@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 442989505 GWLJXSLTULZHMF-ZDUSSCGKSA-N 399.472 1.822 5 50 GDBA CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=N 100662458 TXJGYTHAUSXYAB-CYBMUJFWSA-N 381.436 1.366 5 50 GDBA O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1c[nH]c(=O)[nH]c1=O 2473044 FZYNHFGILAXNSV-UHFFFAOYSA-N 394.299 1.564 5 50 GDBA CCOc1ccc(N2C(=O)C[C@H](NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1 18116023 ZKLPAGVDBAQZPP-INIZCTEOSA-N 399.407 1.722 5 50 GDBA CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 1065223 LKNLFELKMGUFRV-UHFFFAOYSA-N 394.409 1.522 5 50 GDBA COc1cccc(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1154544 JAPXFOSQUNGBHT-UHFFFAOYSA-N 398.327 1.626 5 50 GDBA O=C1NC[C@@H]2[C@H]1CCCN2c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 225576369 LRSSLMXNUWMUNG-BXKDBHETSA-N 375.353 1.306 5 50 GDBA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 226977959 BFAZOQCDOHPRFK-WCVJEAGWSA-N 375.381 1.122 5 50 GDBA C[C@H](COc1cccc(F)c1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 253406036 VAQBPUGWPQFOKO-SNVBAGLBSA-N 397.384 1.579 5 50 GDBA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 2290643 SPHNYEYOEISWJU-HXUWFJFHSA-N 398.371 1.965 5 50 GDBA O=C(O)c1cc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc(C(=O)O)c1 4108257 CMAKZKYZIKSINK-UHFFFAOYSA-N 382.306 1.982 5 50 GDBA C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C[C@H](C)O1 5587178 SZMCOSGGUCBUTK-KBPBESRZSA-N 398.485 1.145 5 50 GDBA CN(C)CCN1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 4593827 HESADYAFBYKCOB-DBAFAGGRSA-N 391.427 1.829 5 50 GDBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1177763 DTFHXKSCSMULRD-UHFFFAOYSA-N 393.396 1.881 5 50 GDBA CCC(=O)N1CCN(c2cc(N3CCN(C)CC3)c(F)cc2[N+](=O)[O-])CC1 4702023 NDZFCCMKWOPQPB-UHFFFAOYSA-N 379.436 1.544 5 50 GDBA CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 1152326 JTFARIRJZPNJDO-FQEVSTJZSA-N 398.371 1.965 5 50 GDBA O=C(c1cccs1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 899652 JNCIRYGBVLLXSC-UHFFFAOYSA-N 381.435 1.803 5 50 GDBA CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc([N+](=O)[O-])ccc3nc2-1 538323 XLHNAFUKOSPOAT-HXUWFJFHSA-N 393.355 1.988 5 50 GDBA Cn1ncc2c1ncn1nc(-c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)nc21 2802100 UVOHYDYYTICJQC-UHFFFAOYSA-N 375.352 1.831 5 50 GDBA COC(=O)CN1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 253418927 FSLACMOXYSVSRZ-CYBMUJFWSA-N 379.413 1.987 5 50 GDBA CS(=O)(=O)c1ccc([S@@](=O)CC(=O)OC2CCCCC2)c([N+](=O)[O-])c1 952016 UEJZJMVUIVWINS-XMMPIXPASA-N 389.451 1.982 5 50 GDBA O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ncc([N+](=O)[O-])s1 8955666 XJRXCIVXUVJUBN-UHFFFAOYSA-N 377.294 1.194 5 50 GDBA CC1(C)CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@]2(CCOC2)O1 369867390 IVEHBZQNNWGTSO-QFBILLFUSA-N 375.425 1.970 5 50 GDBA O=C(OCCNC1=NS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 2995610 YBOZWDAYAXUNGY-UHFFFAOYSA-N 375.362 1.490 5 50 GDBA O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CN(c1ccc(F)cc1)CN=2 1147303 XRQQYNFOLUWLDO-SXGWCWSVSA-N 384.392 1.841 5 50 GDBA NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 1181800 HYUBWAMZVFRTMJ-UHFFFAOYSA-N 383.813 1.868 5 50 GDBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 899950 WWECPJIXGDWKMG-UHFFFAOYSA-N 393.396 1.881 5 50 GDBA Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2766417 QTPPJONGPDCBGI-UHFFFAOYSA-N 392.389 1.608 5 50 GDBA O=[N+]([O-])c1ncn(CCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)n1 2802910 DUQHPTQWMVBHON-UHFFFAOYSA-N 376.340 1.206 5 50 GDBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 2872585 GNUMFLUFLFMBKC-UHFFFAOYSA-N 395.462 1.732 5 50 GDBA Cc1nnc(C)n1-n1ccc2nc3ccn(-c4ccccn4)c(=O)c3cc2c1=O 38829288 HVLKHDBCKWMBII-UHFFFAOYSA-N 385.387 1.615 5 50 GDBA CCOC(=O)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 19841458 KDGYGCSYDXAFJX-UHFFFAOYSA-N 380.401 1.706 5 50 GDBA Cc1n[nH]c(-n2ccc3nc4ccn(Cc5cccnc5)c(=O)c4cc3c2=O)n1 40287260 VLZFFHVGRZXTSW-UHFFFAOYSA-N 385.387 1.570 5 50 GDBA O=C(Cc1ccc2c(c1)OCC2)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 409413725 UADFPAPAKGGQGD-GOEBONIOSA-N 395.415 1.880 5 50 GDBA biogenic O=C(c1ccco1)N1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)CC1 2764058 CZMJJNXXEANUEO-UHFFFAOYSA-N 399.363 1.624 5 50 GDBA O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc(Sc2ccccc2)c1 15240472 XBMKODJDSTWVOB-VVLHAWIVSA-N 378.406 1.597 5 50 GDBA Cc1nn(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1[N+](=O)[O-] 1198346 YJAAPWLZXXMJKN-UHFFFAOYSA-N 384.396 1.845 5 50 GDBA CC[C@@H](C(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F)n1nc([N+](=O)[O-])cc1C 6554838 DMFVXYIKNNFCLQ-SDBXPKJASA-N 381.286 1.858 5 50 GDBA Cc1nn(Cc2ccc(C(=O)NCCCN3CCCC3=O)o2)c(C)c1[N+](=O)[O-] 2782083 QGMQYFJAXPMVGV-UHFFFAOYSA-N 389.412 1.792 5 50 GDBA O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952892058 BQTCPXNMUYYZMW-ZDUSSCGKSA-N 386.290 1.925 5 50 GDBA O=C(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 4818982 VXQCLUUKTNPRAG-UHFFFAOYSA-N 397.331 1.159 5 50 GDBA NC1C[C@@H]2CS(=O)(=O)C[C@H](C1)C2NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 366762588 XLDWCNISUPMVIW-FOCQTFQBSA-N 387.845 1.129 5 50 GDBA Cc1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cccc1[N+](=O)[O-] 2857243 IZKMDTHOMXXZBD-UHFFFAOYSA-N 375.362 1.686 5 50 GDBA COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 6267587 DAEJDIYZRHVUTD-UHFFFAOYSA-N 379.394 1.772 5 50 GDBA COc1cc(CN2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)c([N+](=O)[O-])cc1F 367523780 PGSUBSFZWKACFZ-HNNXBMFYSA-N 398.416 1.448 5 50 GDBA COC(=O)C[C@@H]1CSCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 253404177 GZJUKXZTUPULSZ-SNVBAGLBSA-N 385.417 1.921 5 50 GDBA O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100348239 OFCSXXLCMRAVRU-ZFWWWQNUSA-N 378.297 1.918 5 50 GDBA CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 1149538 OVPJIOJKPAVPCZ-UHFFFAOYSA-N 389.433 1.946 5 50 GDBA Cc1cc(=O)c(C(=O)N2C[C@@H](CN)CC[C@@H]2C)nn1-c1ccccc1[N+](=O)[O-] 1875315776 HFVSWRNHABZRRN-GXTWGEPZSA-N 385.424 1.649 5 50 GDBA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 239159549 MHXQWBOBHWHORV-RIMFYDMWSA-N 381.388 1.977 5 50 GDBA Nc1nonc1OCCN1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 57388425 WHIBHRQRVVBKHZ-UHFFFAOYSA-N 385.384 1.309 5 50 GDBA C[C@@]1(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CNC(=O)C1 375822790 GLPLMQAIIASKHJ-HNNXBMFYSA-N 382.214 1.768 5 50 GDBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCOCC2)cs1 2895504 SHLZDWKEGJKCNP-UHFFFAOYSA-N 397.434 1.930 5 50 GDBA CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O 230045655 LHNTXHHZKWQKRY-KXBFYZLASA-N 386.408 1.985 5 50 GDBA CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 2873083 AIMNCWLMUHMRPA-UHFFFAOYSA-N 385.423 1.694 5 50 GDBA CCOC(=O)N1CCN(c2cc(N3CCN(C)CC3)c(F)cc2[N+](=O)[O-])CC1 4701026 CTMLWUFHAYVLSJ-UHFFFAOYSA-N 395.435 1.764 5 50 GDBA C/C=C1/C[N@@+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@]4(CO)C(=O)OC 252478201 AFJPGVUCVDCFPM-VUUNCZEYSA-N 385.484 1.389 5 50 GDBA biogenic COc1ccccc1-n1ccc2nc3ccn(-n4cnnc4)c(=O)c3cc2c1=O 38829253 RCCAQPQUKTTXPB-UHFFFAOYSA-N 386.371 1.612 5 50 GDBA O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1cc([N+](=O)[O-])cnc1O 364717857 ROHOAQZFUAHUIG-QMMMGPOBSA-N 385.302 1.903 5 50 GDBA CCc1[nH]nc(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1[N+](=O)[O-] 176044789 WZDKJDBXKKLJCY-UHFFFAOYSA-N 387.440 1.767 5 50 GDBA NC(=O)c1ccc(NCCN2C(=O)c3ccc(C(=O)O)cc3C2=O)c([N+](=O)[O-])c1 15857309 NKDAOWJIBVYKDA-UHFFFAOYSA-N 398.331 1.100 5 50 GDBA O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H]2CSc3ncnc4ncn2c34)cc1 2853728 GNMAKPTYNHICNT-SNVBAGLBSA-N 377.407 1.855 5 50 GDBA CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)OC 9235282 HFVIOVVULNRPEY-GQCTYLIASA-N 391.336 1.092 5 50 GDBA C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4N=NN(c5ccc([N+](=O)[O-])cc5)[C@@H]34)[C@H]2C1=O 245257237 XKMNRBHVUONMEI-IJKVQABSSA-N 399.363 1.243 5 50 GDBA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 5598252 JKVSAGFVLQQYDY-UHFFFAOYSA-N 377.806 1.711 5 50 GDBA COC(=O)c1ccccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 170604981 WPYCQGVELNEFSU-UHFFFAOYSA-N 395.345 1.936 5 50 GDBA CCCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3cccc(C)c3nc21 100627803 ILTIVSWYMRRPHU-CQSZACIVSA-N 395.463 1.756 5 50 GDBA aggregator COC(=O)C[C@]1(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CCCOC1 170598008 JVCVIOLGJLEYOP-QGZVFWFLSA-N 380.353 1.224 5 50 GDBA CO[C@@H](CS(=O)(=O)Nc1nccc2c([N+](=O)[O-])cccc12)[C@H]1CCOC1 888096682 HUXJCYYXHIQTJI-NHYWBVRUSA-N 381.410 1.936 5 50 GDBA CCOc1cc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc([N+](=O)[O-])c1O 15016771 ATDDEYHHVLYQDE-CYBMUJFWSA-N 375.341 1.753 5 50 GDBA N=C(O)c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 328602112 AFWWMNWXYVNURL-MRVPVSSYSA-N 385.427 1.831 5 50 GDBA Cc1nn2c(=O)/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2nc1=O 4918585 UISYIIHDXWJTFI-ZSOIEALJSA-N 382.357 1.536 5 50 GDBA CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 19858508 WXZZBBQGZMPEEN-MRXNPFEDSA-N 390.396 1.098 5 50 GDBA C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@H]2[C@@H](C)O1 245326365 JOVMOAWNADVGIA-UEKVPHQBSA-N 390.392 1.956 5 50 GDBA NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 442989498 GWLJXSLTULZHMF-CYBMUJFWSA-N 399.472 1.822 5 50 GDBA CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 1298475 BZSSIOLOWZKFHW-UHFFFAOYSA-N 379.394 1.863 5 50 GDBA COc1nn([C@@H](C)C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)cc1[N+](=O)[O-] 1012153 MQSXNVTUFYFYEL-IXIIUGLYSA-N 383.258 1.168 5 50 GDBA COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 2058212 ILROLEFSIJBQNU-UHFFFAOYSA-N 394.361 1.969 5 50 GDBA COC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(C(=O)OC)c1 9805838 VJIXVIWISPIZMW-UHFFFAOYSA-N 394.361 1.969 5 50 GDBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCC(C)CC1)S(C)(=O)=O 2877966 DRQHOBFZVWOIKV-UHFFFAOYSA-N 385.442 1.628 5 50 GDBA CCCN1CCC(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 4703398 PAHGRYFQGLQOQN-UHFFFAOYSA-N 396.513 1.776 5 50 GDBA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 239433703 YIDKAUYTIMRVNN-RIMFYDMWSA-N 381.388 1.977 5 50 GDBA 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]43)[C@H]2C1=O 239159654 MOEYYLKQHAXOSV-WHRSFKOUSA-N 381.388 1.975 5 50 GDBA CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=N 100662714 AGWDJMOOPKKERA-UHFFFAOYSA-N 377.404 1.828 5 50 GDBA O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 4333505 NRSLWRQXUQRZRY-UHFFFAOYSA-N 386.408 1.987 5 50 GDBA COc1cc([N+](=O)[O-])cc2cc(C(=O)NCCCN3CCOCC3)c(=O)oc12 20219144 NSCYZFZYKOWGSC-UHFFFAOYSA-N 391.380 1.162 5 50 GDBA C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCS(=O)(=O)C1 170614259 GDQVGWWURYVGBJ-ZDUSSCGKSA-N 381.454 1.702 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101696709 HEPRUBLURQSPOQ-BNBDDXAPSA-N 385.376 1.739 5 50 GDBA COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2cccnc2)c1=N 2316053 ZATGYHIEBACAIH-UHFFFAOYSA-N 375.388 1.667 5 50 GDBA C[C@@H](OC(=O)CCCCN1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 170619478 LXTJGVPMZSQXOH-CQSZACIVSA-N 379.413 1.968 5 50 GDBA CN(c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)S(C)(=O)=O 13153134 ACTQJUVLWPHEMS-UHFFFAOYSA-N 385.423 1.791 5 50 GDBA COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 1148726 UNWRVWJRESXNLU-UHFFFAOYSA-N 391.361 1.387 5 50 GDBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1n1cnnc1 1158732 YTEQCNXRLJGBKE-ZEVUXNIQSA-N 387.355 1.195 5 50 GDBA CCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3cccc(C)c3nc21 100627728 FVJHYRZDZRVYDT-UHFFFAOYSA-N 388.431 1.782 5 50 GDBA O=C1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN1Cc1cccc(F)c1 172769662 WDCUYDODCALTTR-UHFFFAOYSA-N 397.366 1.819 5 50 GDBA NC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 420447642 JYFVBGGTBPWOOZ-WCBMZHEXSA-N 378.248 1.763 5 50 GDBA CC(C)n1cc([C@]2(O)CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)nn1 375249546 PKOKILZQLUKMNV-SFHVURJKSA-N 389.412 1.727 5 50 GDBA O=c1c2cccnc2n(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccncc1 598713 YLHRMVRLIOIWTO-UHFFFAOYSA-N 375.344 1.899 5 50 GDBA in-vitro COC(=O)CON1C(=O)CN(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 1030933 QCEGITYZZUJDLU-GOSISDBHSA-N 399.359 1.683 5 50 GDBA COC(=O)c1ccc(O)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(O)cc1C 240407433 FMECPBUAUGNEQN-UHFFFAOYSA-N 382.350 1.902 5 50 GDBA COc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5754124 SVTZYCVMVYXJHD-UHFFFAOYSA-N 379.394 1.592 5 50 GDBA O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc2ccccc2[nH]1 116651243 JNRVPHOPQINTGE-UHFFFAOYSA-N 388.405 1.784 5 50 GDBA CCCN1C(=O)N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O 229844350 XDSVYRGPAXVUJP-KSSFIOAISA-N 388.380 1.671 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101325033 HEPRUBLURQSPOQ-BHWMQLMCSA-N 385.376 1.739 5 50 GDBA O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 899617 ILZIHPVVKQWFHQ-UHFFFAOYSA-N 393.396 1.881 5 50 GDBA NC(=O)c1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1807590 SMMNKRDXVHFIOF-UHFFFAOYSA-N 382.332 1.319 5 50 GDBA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccc([N+](=O)[O-])cc1 239433701 YIDKAUYTIMRVNN-OZINRZGZSA-N 381.388 1.977 5 50 GDBA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] 1143917 IGYVIPWLNKAHFC-UHFFFAOYSA-N 391.405 1.868 5 50 GDBA N=C(O)c1c[nH]nc1[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 328603533 GIHRVYINQKGQKX-VIFPVBQESA-N 394.413 1.233 5 50 GDBA O=C(NC(=S)NCc1ccco1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4820836 SJMLNBDKBVEMCQ-UHFFFAOYSA-N 390.421 1.829 5 50 GDBA CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N 100677378 DJGAWVYUYXUEJA-UHFFFAOYSA-N 375.388 1.749 5 50 GDBA COc1ccc(CSc2nnnn2-c2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] 2996421 WALYYPKPSHUTKW-UHFFFAOYSA-N 386.393 1.970 5 50 GDBA CCOC(=O)c1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1N 8618207 UOLRFSMMZCPIDL-UHFFFAOYSA-N 377.382 1.875 5 50 GDBA Cc1nn(C(=O)Cn2nc([N+](=O)[O-])cc2C)c(C)c1I 4727248 FJFULTPSCCJKSS-UHFFFAOYSA-N 389.153 1.858 5 50 GDBA O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100348235 OFCSXXLCMRAVRU-UKRRQHHQSA-N 378.297 1.918 5 50 GDBA Cc1c([N+](=O)[O-])cnn1CCC(=O)N(C)Cc1c(Br)cnn1C 2802226 XZICDCNCDJKYCT-UHFFFAOYSA-N 385.222 1.644 5 50 GDBA CCCc1cc2c(=O)n(NC(=O)c3c([N+](=O)[O-])cnn3C)c(C)nc2s1 2780967 QSMSAUQRTGRIHU-UHFFFAOYSA-N 376.398 1.745 5 50 GDBA O=C(COC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)Nc1cccc([N+](=O)[O-])c1 369652124 CBIGNBSSAWETED-ZDUSSCGKSA-N 382.394 1.291 5 50 GDBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O 6244967 SACIWMLVQNWLSR-UHFFFAOYSA-N 380.382 1.403 5 50 GDBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nonc1N1C(=O)c2ccccc2C1=O 12377226 QXLBHXCJWNPUGJ-UHFFFAOYSA-N 393.315 1.960 5 50 GDBA Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CN4CCN3CC4)cc2)c(C)c1[N+](=O)[O-] 437045797 VCAMWSRNAWRMNW-GOSISDBHSA-N 398.467 1.186 5 50 GDBA Cc1cccc(-n2nc([N+](=O)[O-])c(N3CCN(C(=O)c4ccco4)CC3)[n+]2[O-])c1 13152923 HPNLHDILXMKRJE-UHFFFAOYSA-N 398.379 1.278 5 50 GDBA COc1cccc(-n2ccc3nc4ccn(-n5cnnc5)c(=O)c4cc3c2=O)c1 38829255 ZQILWJMGWALCPE-UHFFFAOYSA-N 386.371 1.612 5 50 GDBA O=C(O)Cc1ccc(NC(=O)CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 5049147 YADQMOCGCHWYFL-UHFFFAOYSA-N 397.343 1.847 5 50 GDBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 1073239 ZSBYFXIADXLSIT-UHFFFAOYSA-N 375.406 1.742 5 50 GDBA O=C(NN1C[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1=O)c1ccccc1 4821267 VLZQWFQTCMTYOR-HNNXBMFYSA-N 383.360 1.832 5 50 GDBA O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2nccc(-c3cncnc3)n2)CC1 952892687 PJNPEOABGRQCHS-UHFFFAOYSA-N 380.368 1.585 5 50 GDBA Cc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 1839904 YMGFKTGETFGLAW-UHFFFAOYSA-N 392.389 1.608 5 50 GDBA CCOC(=O)c1cnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc1N 9235937 OVPOKGCCEDILJT-UHFFFAOYSA-N 377.382 1.875 5 50 GDBA CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 4687602 NALRTGLNKRFADN-AWEZNQCLSA-N 384.458 1.267 5 50 GDBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCOCC2)cs1 15188752 PIGLEMGBCYUKSE-UHFFFAOYSA-N 397.434 1.930 5 50 GDBA COC(=O)C[C@H]1CSCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 253404175 GZJUKXZTUPULSZ-JTQLQIEISA-N 385.417 1.921 5 50 GDBA CCN1CCN(c2cc(N3CCN(C(C)=O)[C@H](C)C3)c([N+](=O)[O-])cc2F)CC1 5027845 KZDAAQBDGCDWCN-CQSZACIVSA-N 393.463 1.933 5 50 GDBA O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H]1CCS(=O)(=O)C1 4192433 IKDMUXPTWUJYHU-ZETCQYMHSA-N 388.345 1.487 5 50 GDBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(CCO)CCO)cc1 4984057 CJFMSNKJPDWAOJ-UHFFFAOYSA-N 375.381 1.647 5 50 GDBA O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 227071402 BPXFSCLEJBAKNO-FJJYHAOUSA-N 395.165 1.163 5 50 GDBA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 1173229 KBERZXIVNFGCHJ-UHFFFAOYSA-N 391.405 1.868 5 50 GDBA CC(C)C(=O)N=S1(=O)CCC2(CC1)CN(c1c([N+](=O)[O-])cnn1C)CCO2 2325784793 JVWVXAGHNAGLCL-UHFFFAOYSA-N 399.473 1.348 5 50 GDBA CO[C@H](CS(=O)(=O)Nc1nccc2c([N+](=O)[O-])cccc12)[C@H]1CCOC1 888096683 HUXJCYYXHIQTJI-XHDPSFHLSA-N 381.410 1.936 5 50 GDBA Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-] 18241262 CXQJULGCQBTONZ-KBPBESRZSA-N 386.360 1.580 5 50 GDBA O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(F)cc1 1153275 QDWOWMILDAYUDS-UHFFFAOYSA-N 386.291 1.756 5 50 GDBA O=C(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(O)cc1C(=O)O 2374175 XKNVXDLOULQCTR-UHFFFAOYSA-N 399.315 1.623 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(C(=O)[C@H]2CCCO2)CC1 4999031 OXROBCRRHMAOMF-CQSZACIVSA-N 394.453 1.623 5 50 GDBA CC(=O)N1CCOC2(CCS(=O)(=NC(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 2325775936 JVIXBCFCNHAGJO-UHFFFAOYSA-N 385.398 1.207 5 50 GDBA NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1 370761958 YMVUQKATSKFDLO-AWEZNQCLSA-N 382.442 1.445 5 50 GDBA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 20606831 OSTPBUZBUGIJKP-CZUORRHYSA-N 377.397 1.212 5 50 GDBA COCCN1C(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2C1=O 35900085 SOMASSMIFTWTHC-UHFFFAOYSA-N 385.332 1.795 5 50 GDBA CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 170610972 UGVBWVIQUZUKDJ-GJZGRUSLSA-N 394.428 1.493 5 50 GDBA O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H]1CCS(=O)(=O)C1 4192429 IKDMUXPTWUJYHU-SSDOTTSWSA-N 388.345 1.487 5 50 GDBA O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCC(=O)N1CCOCC1 4182978 MYHSRPGCYLEHIN-UHFFFAOYSA-N 380.400 1.557 5 50 GDBA Cc1nnc(NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)s1 2745895 PPMVENZPUJCTHY-UHFFFAOYSA-N 375.366 1.770 5 50 GDBA O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(NC(=O)N2CCOCC2)CC1 888096679 HTPSRKCXZPGZIH-UHFFFAOYSA-N 377.401 1.633 5 50 GDBA O=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1054083 FNGYZFCSPNEPOM-UHFFFAOYSA-N 396.469 1.943 5 50 GDBA COc1cc(Nc2cnn(C[C@@H](O)CN(C)OC)c2)c([N+](=O)[O-])cc1OC 2325828958 WSHJNDOSHAKQMV-LBPRGKRZSA-N 381.389 1.406 5 50 GDBA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 239433704 YIDKAUYTIMRVNN-WKLICJCCSA-N 381.388 1.977 5 50 GDBA O=C1[C@H](N[C@@H]2CCCC[C@H]2N2CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 240412802 FNZBRMAEZIIIOW-GUDVDZBRSA-N 388.468 1.933 5 50 GDBA COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2870439 RTHMLNWIEFTCEG-LLVKDONJSA-N 379.394 1.909 5 50 GDBA Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 2796740 RYFOURRWRQNXGQ-UHFFFAOYSA-N 399.367 1.683 5 50 GDBA 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 253487631 MXRXMPOFPWKSLI-JONQDZQNSA-N 396.403 1.924 5 50 GDBA N[C@@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 8076607 YDYSCRZHYWLSPQ-INIZCTEOSA-N 378.429 1.941 5 50 GDBA in-vitro O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CN(c1cccc(F)c1)CN=2 1182901 LGIJYKFWIVZTIV-PXNMLYILSA-N 384.392 1.841 5 50 GDBA NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 1183498 GRYRBAFJEWBWTH-UHFFFAOYSA-N 383.813 1.868 5 50 GDBA COC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 2868490 ASCWCEPUDYQTRS-UHFFFAOYSA-N 383.316 1.616 5 50 GDBA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 20606828 OSTPBUZBUGIJKP-CJNGLKHVSA-N 377.397 1.212 5 50 GDBA NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1181258 BFCBUHHGWNWSFX-RMKNXTFCSA-N 375.406 1.614 5 50 GDBA CC(C)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1nc(-c2nnc[nH]2)no1 269846097 QSRYUQJQHUSLTK-CYBMUJFWSA-N 387.356 1.655 5 50 GDBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1178797 VLLKUDQAINSLPS-UHFFFAOYSA-N 389.433 1.883 5 50 GDBA O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 899609 VIDVGGPRWUDCTJ-UHFFFAOYSA-N 375.406 1.742 5 50 GDBA Cc1c(CNC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)cccc1[N+](=O)[O-] 427491842 AWKRVOLSIWDQOZ-FQEVSTJZSA-N 383.404 1.926 5 50 GDBA Cc1n[nH]c(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n1 40267303 ITAPJOKGCDTTHZ-GFCCVEGCSA-N 378.392 1.306 5 50 GDBA CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1ccc(-n2cncn2)cc1 4108606 UZTTYLWMSFPYRX-CQSZACIVSA-N 376.369 1.370 5 50 GDBA CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)cc2[N+](=O)[O-])C[C@H]1C(=O)O 169725244 ANZHEVOGEZABKQ-AWEZNQCLSA-N 379.369 1.918 5 50 GDBA C[C@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C[C@H](C)N1C 170597579 IEUADSVNLDSMTA-STQMWFEESA-N 376.413 1.834 5 50 GDBA CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(Cc2ccco2)c1=N 100627243 IJCQKRFZUUXGBK-UHFFFAOYSA-N 377.404 1.828 5 50 GDBA COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1 35867436 ABSIWQHUCURGSM-UHFFFAOYSA-N 378.337 1.452 5 50 GDBA CCCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc21 100627779 LRCUGYVDAZXMTF-UHFFFAOYSA-N 383.452 1.613 5 50 GDBA O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@@]2(CNc2ccc([N+](=O)[O-])cn2)O1 244796197 RUTDEKOGNOANKJ-ASKNOMKYSA-N 392.371 1.915 5 50 GDBA O=C1CCCN1CCCNc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-] 4806204 NYLDCFGDJUFZCO-UHFFFAOYSA-N 380.792 1.492 5 50 GDBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1c[nH]c(=O)[nH]c1=O 4066083 ZDHROWHFPMWKHG-UHFFFAOYSA-N 394.299 1.564 5 50 GDBA O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1176289 KNFXHRZWXFLNIO-UHFFFAOYSA-N 393.396 1.881 5 50 GDBA O=C1C[C@@H]2O[C@H]([N+](=O)[O-])C=C3CN4CC[C@]56c7ccccc7N1[C@@H]5[C@H]2[C@H]3C[C@H]46 257347679 PRXAMJZPVTYMEL-MNGYXTINSA-N 379.416 1.695 5 50 GDBA NC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 420447639 JYFVBGGTBPWOOZ-SCZZXKLOSA-N 378.248 1.763 5 50 GDBA NS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1[N+](=O)[O-] 1875253437 OHFZHMTUJWAWKW-UHFFFAOYSA-N 382.423 1.830 5 50 GDBA COCCNc1ccc(C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] 170601185 GVAXFYYXMQWTFZ-AWEZNQCLSA-N 392.456 1.982 5 50 GDBA CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O 229906127 HRQLXSMHQYLFTO-LIRRHRJNSA-N 386.408 1.983 5 50 GDBA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2c(cc1[N+](=O)[O-])OCO2 19891481 BTMHSTYPXZOICA-UHFFFAOYSA-N 390.348 1.904 5 50 GDBA O=C1[C@H](N[C@H]2CCCC[C@H]2N2CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 240412805 FNZBRMAEZIIIOW-IPMKNSEASA-N 388.468 1.933 5 50 GDBA COC(=O)CNC(=O)c1ccc(N2C[C@@H](C(=O)O)C[C@@H](C)C2)c([N+](=O)[O-])c1 263196262 LVUWORISSOCLAR-PWSUYJOCSA-N 379.369 1.045 5 50 GDBA Cc1cc([N+](=O)[O-])nn1C[C@H](C)c1n[nH]c(=S)n1CCCN1CCOCC1 20608498 ARXYQBOZIJOQIE-LBPRGKRZSA-N 395.489 1.880 5 50 GDBA O=C(CN1N=N[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21)Nc1ccccc1 13959519 LENHWVPSCFLGTD-HOTGVXAUSA-N 394.347 1.527 5 50 GDBA O=C(Cn1cc(I)cn1)Nc1ncc([N+](=O)[O-])s1 4743320 BLVSFSZMOLGQTR-UHFFFAOYSA-N 379.139 1.491 5 50 GDBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(C(N)=O)cc1 1070495 ZQKJSULRTLWGEI-UHFFFAOYSA-N 382.174 1.600 5 50 GDBA O=[N+]([O-])c1cccnc1N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 169804845 RIJYRKXSVPTHLA-OAHLLOKOSA-N 376.388 1.691 5 50 GDBA Cc1n[nH]c(-n2ccc3nc4ccn(C[C@@H]5CCCO5)c(=O)c4cc3c2=O)n1 40267302 ITAPJOKGCDTTHZ-LBPRGKRZSA-N 378.392 1.306 5 50 GDBA CS(=O)(=O)Nc1ccc(OS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 918193709 KQFYLIIGROYBCT-UHFFFAOYSA-N 390.370 1.873 5 50 GDBA C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccc([N+](=O)[O-])cc5)[C@H]34)[C@H]2C1=O 245257240 XKMNRBHVUONMEI-WSXKTRNASA-N 399.363 1.243 5 50 GDBA Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1031557 USAGWSSYIDXLFT-UHFFFAOYSA-N 397.343 1.681 5 50 GDBA CCc1nnc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])o1 239591415 BBHHISANJHCCCE-UHFFFAOYSA-N 397.413 1.173 5 50 GDBA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 1152327 JTFARIRJZPNJDO-HXUWFJFHSA-N 398.371 1.965 5 50 GDBA Cn1ncc2c1ncn1nc(-c3cc([N+](=O)[O-])nn3Cc3ccccc3)nc21 2800226 NTPNBNGDZVRXES-UHFFFAOYSA-N 375.352 1.831 5 50 GDBA C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239159655 MOEYYLKQHAXOSV-ZHTNZKAISA-N 381.388 1.975 5 50 GDBA Cc1c(CNC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)cccc1[N+](=O)[O-] 427491843 AWKRVOLSIWDQOZ-HXUWFJFHSA-N 383.404 1.926 5 50 GDBA Cc1nn(Cn2ccc(-c3nc4c5cnn(C)c5ncn4n3)n2)c(C)c1[N+](=O)[O-] 2802678 PXZPUJJSIDYDEZ-UHFFFAOYSA-N 393.371 1.102 5 50 GDBA Cc1cc(Cl)c(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)O)cc1[N+](=O)[O-] 776685345 PGTZZOXQRMLCPC-VIFPVBQESA-N 380.806 1.403 5 50 GDBA CS(=O)(=O)c1ccc([S@](=O)CC(=O)OC2CCCCC2)c([N+](=O)[O-])c1 6682074 UEJZJMVUIVWINS-DEOSSOPVSA-N 389.451 1.982 5 50 GDBA CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)CC1 36185934 KHOQMUDZNVBMAR-UHFFFAOYSA-N 382.486 1.911 5 50 GDBA CNS(=O)(=O)c1ccc(N2CC[C@@H](OCc3ccncc3)C2)c([N+](=O)[O-])c1 170686897 CJYNABBOWDPSDR-CQSZACIVSA-N 392.437 1.693 5 50 GDBA CC1=NN(C(=O)[C@@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)[C@](O)(C(F)(F)F)C1 6526422 XMXDUCNHSBNERN-WPPNPWJKSA-N 377.323 1.903 5 50 GDBA NS(=O)(=O)c1ccc(Nc2c(C(=O)O)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 16134156 SNXXEJBBMYDTGV-UHFFFAOYSA-N 382.310 1.592 5 50 GDBA O=C(O)[C@H]1[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]2CC[C@H]1O2 245254623 BFAZOQCDOHPRFK-KLHDSHLOSA-N 375.381 1.122 5 50 GDBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O 6244893 QTNPYKXIBIMYPT-UHFFFAOYSA-N 394.409 1.081 5 50 GDBA CC(C)(C)OC(=O)N1CCN(c2cccc([N+](=O)[O-])c2C=O)C[C@H]1C(=O)O 169725216 RHLPIOMRFRTABE-AWEZNQCLSA-N 379.369 1.918 5 50 GDBA COC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ncc([N+](=O)[O-])n2C)C1 1875333079 YYUQXSDSXZGSRH-QWHCGFSZSA-N 393.444 1.206 5 50 GDBA O=C1[C@H](N[C@H]2CCCC[C@@H]2N2CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 170089256 FNZBRMAEZIIIOW-OTWHNJEPSA-N 388.468 1.933 5 50 GDBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1n1cnnc1 1158734 YTEQCNXRLJGBKE-ASPXRTSYSA-N 387.355 1.195 5 50 GDBA Cc1noc(C)c1CCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 409413209 FBTOKICUZCUZKL-UONOGXRCSA-N 386.408 1.940 5 50 GDBA biogenic O=C(c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 5068490 DDGIYIUOGOMTAC-UHFFFAOYSA-N 397.435 1.789 5 50 GDBA CN(C)C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2936731 PFUIUWMBQCLETJ-MRXNPFEDSA-N 379.438 1.713 5 50 GDBA COc1nn([C@H](C)C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)cc1[N+](=O)[O-] 1012154 MQSXNVTUFYFYEL-DAZVOFDJSA-N 383.258 1.168 5 50 GDBA CN(c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)S(C)(=O)=O 2843302 ONDPCZOMBALZAF-UHFFFAOYSA-N 385.423 1.791 5 50 GDBA COc1cc(CN2C[C@H](c3cnn(C)c3)[C@@H](C(N)=O)C2)c([N+](=O)[O-])cc1F 375461853 WATSXSFEWATRKG-OLZOCXBDSA-N 377.376 1.177 5 50 GDBA CC[C@@H](C(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F)n1nc([N+](=O)[O-])cc1C 6554828 DMFVXYIKNNFCLQ-ISVAXAHUSA-N 381.286 1.858 5 50 GDBA Cn1ccnc(N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)c1=O 467013405 JBUQBPVKHIGEQC-UHFFFAOYSA-N 381.339 1.617 5 50 GDBA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc([N+](=O)[O-])cc1 13154907 LRQXDKAQYSRKPX-RCJHGTSTSA-N 393.392 1.761 5 50 GDBA NC(=O)c1ccnc(N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)c1 2325701894 IOPJUSOGRBUDPG-UHFFFAOYSA-N 381.396 1.682 5 50 GDBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCCCC2)CC1 4727735 NQRHGRDUEVRBHJ-UHFFFAOYSA-N 382.442 1.083 5 50 GDBA O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc(Sc2ccccc2)c1 245238630 XBMKODJDSTWVOB-LUKYLMHMSA-N 378.406 1.597 5 50 GDBA CCOC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc2c1CCCC2 1779809 LYXRVVHEUBTXBA-UHFFFAOYSA-N 379.398 1.942 5 50 GDBA O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H]2CSc3ncnc4ncn2c34)cc1 6250823 GNMAKPTYNHICNT-JTQLQIEISA-N 377.407 1.855 5 50 GDBA Cc1nn(Cc2ccc(C(=O)NC[C@H]3CN4CCN3CC4)cc2)c(C)c1[N+](=O)[O-] 437045798 VCAMWSRNAWRMNW-SFHVURJKSA-N 398.467 1.186 5 50 GDBA O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100348230 OFCSXXLCMRAVRU-HIFRSBDPSA-N 378.297 1.918 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239309188 HGMNXALQHWMDIT-RDXDGJJNSA-N 397.387 1.595 5 50 GDBA CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1nc(-c2nnc[nH]2)no1 269846101 QSRYUQJQHUSLTK-ZDUSSCGKSA-N 387.356 1.655 5 50 GDBA O=C1C[C@@H](Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 9553977 FEYSEBSALRMGIN-CQSZACIVSA-N 396.388 1.995 5 50 GDBA O=C(COC(=O)[C@H]1CC12CCS(=O)(=O)CC2)Nc1cccc([N+](=O)[O-])c1 369652123 CBIGNBSSAWETED-CYBMUJFWSA-N 382.394 1.291 5 50 GDBA 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 239159550 MHXQWBOBHWHORV-WKLICJCCSA-N 381.388 1.977 5 50 GDBA Cc1nc2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3c(=O)c2nc1C 1875320562 FHTHVAJMCFXHEV-GHXNOFRVSA-N 381.373 1.132 5 50 GDBA COC(=O)N(C)CCN(C)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 849467704 LHBDVVXRELXHGD-UHFFFAOYSA-N 379.366 1.061 5 50 GDBA Cc1cc(C)n(-c2cc(N3CCN(S(C)(=O)=O)CC3)ccc2[N+](=O)[O-])n1 4311956 FOARMBKMJQKGDS-UHFFFAOYSA-N 379.442 1.479 5 50 GDBA Cc1nn(C(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(C)c1[N+](=O)[O-] 12372155 NPULDSQBXBPULU-UHFFFAOYSA-N 387.150 1.924 5 50 GDBA C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]12 245326362 JOVMOAWNADVGIA-JRPNMDOOSA-N 390.392 1.956 5 50 GDBA NC[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCO1 418088092 JHIUXPXSSAJPKK-ZDUSSCGKSA-N 376.335 1.873 5 50 GDBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1CCCO 2999828 ZHJYGSGYWDBZTB-UISNHOIMSA-N 378.384 1.649 5 50 GDBA Cc1cccn2c(=O)c3cc(C(N)=S)c(=N)n(Cc4cccnc4)c3nc12 100675422 ULVMORAGAOJJGT-UHFFFAOYSA-N 376.445 1.515 5 50 GDBA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 263346428 UEHLLEQZJFRUOA-UONOGXRCSA-N 375.381 1.380 5 50 GDBA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc([N+](=O)[O-])c1 1148436 BUBGKKRZTMBHNQ-UHFFFAOYSA-N 375.362 1.768 5 50 GDBA CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 57211586 IUEHSZNRMZSMGC-RZNTYIFUSA-N 380.378 1.941 5 50 GDBA CCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCC 12834353 QIJYAMAPPUXBSC-CQSZACIVSA-O 398.413 1.881 5 50 GDBA COCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3cccc(C)c3nc21 100627949 CYHHNVSXQOPLRU-UHFFFAOYSA-N 395.463 1.756 5 50 GDBA O=C1C[C@@H]2O[C@H]([N+](=O)[O-])C=C3CN4CC[C@@]56c7ccccc7N1[C@@H]5[C@H]2[C@H]3C[C@H]46 25668839 PRXAMJZPVTYMEL-MTDKEZSRSA-N 379.416 1.695 5 50 GDBA O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccc1)[C@@H]1CNC[C@H]1O 725374097 HKZXCCMHSKLYTK-HZPDHXFCSA-N 377.422 1.118 5 50 GDBA O=[N+]([O-])c1ccc([Sn](=O)c2ccc([N+](=O)[O-])cc2)cc1 169818903 GDODWXKKGIQNNE-UHFFFAOYSA-N 378.916 1.039 5 50 GDBA O=C(O)[C@@H]1[C@H](C(=O)O)NCCN1C(=O)c1ccc2c(ccc3ccccc32)c1 13831227 IWWXIZOMXGOTPP-MSOLQXFVSA-N 378.384 1.945 5 50 GDBA in-vitro NS(=O)(=O)c1cccc(NC2CCN(Cc3cccnc3)CC2)c1[N+](=O)[O-] 170616202 DIOQLXWRVISMGC-UHFFFAOYSA-N 391.453 1.714 5 50 GDBA Cc1cc(C)nc(NC(=O)NS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 2497847 ACXQQMVSDFSNMC-UHFFFAOYSA-N 380.386 1.788 5 50 GDBA Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(C(=O)C(C)(C)C)CC3)cc21 4458512 OWBXPGOBZCHFBH-UHFFFAOYSA-N 375.429 1.480 5 50 GDBA COc1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(OC)c1 1163028 CJBPYTUUOULHKH-UHFFFAOYSA-N 385.332 1.847 5 50 GDBA COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] 2325045 UDZYYCOHPDLYPU-UHFFFAOYSA-N 379.394 1.223 5 50 GDBA C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 253406031 VAQBPUGWPQFOKO-JTQLQIEISA-N 397.384 1.579 5 50 GDBA O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1n[nH]cc1[N+](=O)[O-] 12649160 WYMZRBLOUCDWNA-UHFFFAOYSA-N 385.384 1.252 5 50 GDBA CC1(C)CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@]2(CCOC2)O1 369867389 IVEHBZQNNWGTSO-LPHOPBHVSA-N 375.425 1.970 5 50 GDBA NC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)c2ccc(C(=O)O)cc2C1=O 13154027 RNTUYHHDXIIDDJ-UHFFFAOYSA-N 398.331 1.100 5 50 GDBA Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCOCC3)c(Cl)cc12 4708619 YSLLHRDMSXXHRS-UHFFFAOYSA-N 393.852 1.830 5 50 GDBA COCCNC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4756990 BDRPVIHPYGHMIC-UHFFFAOYSA-N 379.394 1.772 5 50 GDBA CCOC(=O)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)CC1 1207404 LZVYOEMTSDIISN-UHFFFAOYSA-N 375.337 1.616 5 50 GDBA CCOC(=O)N1CCN(C(=O)c2ccc3nc4ccccc4c(=O)n3c2)CC1 4877612 UZBABPRBNGNQOY-UHFFFAOYSA-N 380.404 1.762 5 50 GDBA O=C(CCCn1cc([N+](=O)[O-])cn1)n1cc(I)cn1 1423706 SGYVUERXPMRROV-UHFFFAOYSA-N 375.126 1.713 5 50 GDBA CCOC(=O)CN(c1cccc(Br)c1[N+](=O)[O-])S(C)(=O)=O 1772572658 MLRJWFLSZBGNIM-UHFFFAOYSA-N 381.204 1.686 5 50 GDBA O=C(c1cccs1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 4730854 CDIKVSURPJDVFA-UHFFFAOYSA-N 381.435 1.803 5 50 GDBA CN(C)S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 1144869 CTBWPIHIANREGK-UHFFFAOYSA-N 378.410 1.846 5 50 GDBA CS(=O)(=O)Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 1780548 KYXBIDOLIRCKFH-UHFFFAOYSA-N 389.440 1.549 5 50 GDBA O=C(N1CCCC1)[C@]1(O)CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 408035185 JIHWIEAKCDRSIE-HNNXBMFYSA-N 399.245 1.706 5 50 GDBA O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 827626804 DEFUAESDIMWDNR-UHFFFAOYSA-N 390.632 1.360 5 50 GDBA NC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 4574496 MLHHJZBDBPEAJJ-UHFFFAOYSA-N 399.392 1.400 5 50 GDBA C[C@@H]1O[C@H](Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@H]1O 245238185 FLTTUASWHSPFOB-VLNMDUJLSA-N 392.433 1.985 5 50 GDBA Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4ccco4)CC3)cc21 4624159 WFDXWMQTHPVYFQ-UHFFFAOYSA-N 385.380 1.341 5 50 GDBA Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCc2ccc3c(c2)OCO3)n1 12446656 QGMFKPZNWBXWQL-UHFFFAOYSA-N 386.324 1.190 5 50 GDBA CCOC(=O)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2269248 RFTBGVHQZLYNAC-UHFFFAOYSA-N 385.379 1.386 5 50 GDBA O=C1C(=O)N(CN2CCN(Cc3ccccc3)CC2)c2ccc([N+](=O)[O-])cc21 20522585 BTZUDMGKVGODEM-UHFFFAOYSA-N 380.404 1.899 5 50 GDBA C[C@@H](c1ccccc1)[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 294430485 YQGVAQTWQYBTKH-SCLBCKFNSA-N 398.419 1.489 5 50 GDBA O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCc1ccc(C(=O)O)cc1 1124654 JFAXKIHFSWPYED-UHFFFAOYSA-N 383.316 1.205 5 50 GDBA Cn1cc(-c2nnc3n2CCN(Cc2cc([N+](=O)[O-])cc4c2OCOC4)C3)cn1 369583714 KDSJWXIZPUXAFI-UHFFFAOYSA-N 397.395 1.469 5 50 GDBA O=C(N1CCCC1)[C@@]1(O)CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 408035186 JIHWIEAKCDRSIE-OAHLLOKOSA-N 399.245 1.706 5 50 GDBA C[C@@H]1CCCN(S(=O)(=O)c2ccc(N[C@H]3CCCNC3=O)c([N+](=O)[O-])c2)C1 252458592 VOKJAMAHJDUSBR-DOMZBBRYSA-N 396.469 1.706 5 50 GDBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(c2ncccn2)CC1 1054591 GDMVRUIKPYIXTN-UHFFFAOYSA-N 381.348 1.454 5 50 GDBA O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@@]1(CNc3ccc([N+](=O)[O-])cn3)C=C[C@H]2O1 230135193 RUTDEKOGNOANKJ-OYRIPWCXSA-N 392.371 1.915 5 50 GDBA O=C1C[C@@H]2O[C@H]([N+](=O)[O-])C=C3CN4CC[C@@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 104219645 PRXAMJZPVTYMEL-PYWGAJAHSA-N 379.416 1.695 5 50 GDBA Cc1nn(C(=O)Cn2ccc([N+](=O)[O-])n2)c(C)c1I 1068707 WLEFGNUUIFGXNV-UHFFFAOYSA-N 375.126 1.550 5 50 GDBA COC(=O)c1ccc(COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1141263 NUHNRMPTTMXGIN-UHFFFAOYSA-N 398.327 1.721 5 50 GDBA NC(=O)c1ccc(-n2nnnc2SCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2905667 WJURVOBFSQJYLX-UHFFFAOYSA-N 384.377 1.644 5 50 GDBA O=C(NN1C[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1=O)c1ccccc1 4821266 VLZQWFQTCMTYOR-OAHLLOKOSA-N 383.360 1.832 5 50 GDBA CC1=NN(C(=O)[C@@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)[C@@](O)(C(F)(F)F)C1 6526428 XMXDUCNHSBNERN-CPFSXVBKSA-N 377.323 1.903 5 50 GDBA CC1(C)CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@]2(CCOC2)O1 369867391 IVEHBZQNNWGTSO-VQIMIIECSA-N 375.425 1.970 5 50 GDBA O=C(CN1N=N[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21)Nc1ccccc1 18162312 LENHWVPSCFLGTD-CVEARBPZSA-N 394.347 1.527 5 50 GDBA COc1ccc(-n2ccc3c(cnc4ccn(-n5cnnc5)c(=O)c43)c2=O)cc1 72117868 IZPPNKGCUCQFBG-UHFFFAOYSA-N 386.371 1.612 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(C(=O)[C@@H]2CCCO2)CC1 4999030 OXROBCRRHMAOMF-AWEZNQCLSA-N 394.453 1.623 5 50 GDBA COC(=O)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCNC2 725373192 BUBXWQNMJBXXKC-UHFFFAOYSA-N 397.434 1.889 5 50 GDBA O=C1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F 286450320 MIDVSJPCJHCODS-UHFFFAOYSA-N 395.359 1.075 5 50 GDBA C[C@@H](OC(=O)N[C@H](CCCP(=O)(O)O)C(=O)O)c1ccccc1[N+](=O)[O-] 98052577 RLEANJAZNZWLHC-MWLCHTKSSA-N 390.285 1.793 5 50 GDBA in-vitro CCOC(=O)Cn1nc(C)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C 1426753 VSOCXLHHIKMUDG-UHFFFAOYSA-N 376.369 1.989 5 50 GDBA O=c1c2cc(S(=O)(=O)N3CCOCC3)ccc2nc2ccc(Cl)cn12 1848444118 MWAPXWZKJDMXKX-UHFFFAOYSA-N 379.825 1.522 5 50 GDBA COC(=O)CON1C(=O)CN(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 3092675 QCEGITYZZUJDLU-SFHVURJKSA-N 399.359 1.683 5 50 GDBA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1 19792972 CFSXRLCHRWDWLT-UHFFFAOYSA-N 392.364 1.890 5 50 GDBA COc1ccccc1Cn1ccc2nc3ccn(CCO)c(=O)c3cc2c1=O 38829086 MARGRUJTPBXFIV-UHFFFAOYSA-N 377.400 1.761 5 50 GDBA biogenic NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 443000561 NGECJXVNSYSQDN-CYBMUJFWSA-N 399.472 1.822 5 50 GDBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccco1)S(C)(=O)=O 2875626 DYEUHDISWJPUFR-UHFFFAOYSA-N 383.382 1.279 5 50 GDBA Nc1nccc([C@@H]2CCCN(S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)n1 225829847 LFLWOQQQPISADV-SNVBAGLBSA-N 381.389 1.674 5 50 GDBA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1 13154905 LRQXDKAQYSRKPX-JEWRLFTDSA-N 393.392 1.761 5 50 GDBA N=C(O)c1c[nH]nc1[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 328603528 GIHRVYINQKGQKX-SECBINFHSA-N 394.413 1.233 5 50 GDBA COc1ccc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1[N+](=O)[O-] 8970993 JAKQGCWRNMRKTH-UHFFFAOYSA-N 391.409 1.180 5 50 GDBA C[C@H](OC(=O)N[C@H](CCCP(=O)(O)O)C(=O)O)c1ccccc1[N+](=O)[O-] 98052576 RLEANJAZNZWLHC-GXSJLCMTSA-N 390.285 1.793 5 50 GDBA in-vitro O=C(c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)N1CCOCC1 5065526 VNSBHVVMFXNSGC-UHFFFAOYSA-N 391.405 1.868 5 50 GDBA O=C(c1ccco1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)CC1 1064242 LESZIBXFSOHXBY-UHFFFAOYSA-N 397.343 1.892 5 50 GDBA CCOc1ccc(N2C(=O)C[C@@H](NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1 4553079 ZKLPAGVDBAQZPP-MRXNPFEDSA-N 399.407 1.722 5 50 GDBA CNS(=O)(=O)c1ccc(N2CC[C@H](OCc3ccncc3)C2)c([N+](=O)[O-])c1 170686893 CJYNABBOWDPSDR-AWEZNQCLSA-N 392.437 1.693 5 50 GDBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O 1116665 IYVPAAWUVKXTPC-UHFFFAOYSA-N 385.442 1.818 5 50 GDBA CC1=NN(C(=O)[C@H](C)Cn2nc(C)c([N+](=O)[O-])c2C)[C@@](O)(C(F)(F)F)C1 6526402 XMXDUCNHSBNERN-UHLUBPPHSA-N 377.323 1.903 5 50 GDBA CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2cccnc2)c1=N 100680755 RIVHMGZRJFQJJP-UHFFFAOYSA-N 388.431 1.630 5 50 GDBA C[C@]1(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CNC(=O)C1 375822792 GLPLMQAIIASKHJ-OAHLLOKOSA-N 382.214 1.768 5 50 GDBA O=C([C@H]1COc2ccccc2O1)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 827776352 JXGAHMPERDHMLL-ZJNRKIDTSA-N 397.387 1.542 5 50 GDBA biogenic Cn1cc(-c2nc([C@H]3COCCN3C(=O)Nc3cccc([N+](=O)[O-])c3)no2)cn1 367884695 HUDZSOCPTOOOSF-CQSZACIVSA-N 399.367 1.984 5 50 GDBA Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC(C)(O)C1 282352201 AQYGCVMZQUQZHZ-UHFFFAOYSA-N 376.150 1.715 5 50 GDBA COC(=O)C(C)(C)NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 253417707 ISZOBDFWXLTDNP-UHFFFAOYSA-N 382.760 1.821 5 50 GDBA CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 1142761 RUACNAFMMZLVND-UHFFFAOYSA-N 393.377 1.728 5 50 GDBA COC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)OC 25576504 YTRJHQALLSGRAG-UHFFFAOYSA-N 387.399 1.700 5 50 GDBA COCCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc21 100680128 QLONHPGZNDYKPF-UHFFFAOYSA-N 393.403 1.298 5 50 GDBA CCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3cc(C)ccc3nc21 100810607 WTRRIIAJYNAKDQ-UHFFFAOYSA-N 388.431 1.782 5 50 GDBA C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC 252478199 AFJPGVUCVDCFPM-BBFZNYENSA-N 385.484 1.389 5 50 GDBA biogenic,in-vitro O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1177882 RHIPLJKONWJEDH-UHFFFAOYSA-N 389.433 1.883 5 50 GDBA Cc1cc(=O)c(C(=O)N2C[C@@H](CN)CC[C@H]2C)nn1-c1ccccc1[N+](=O)[O-] 1875315779 HFVSWRNHABZRRN-TZMCWYRMSA-N 385.424 1.649 5 50 GDBA O=C1[C@H]2[C@H](C(=O)N1n1cnnc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 1158731 YTEQCNXRLJGBKE-MUZJZNNISA-N 387.355 1.195 5 50 GDBA CCn1nc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2c(=O)n(C)c(=O)nc1-2 1776110947 AHUPKJTVWBKMDP-UHFFFAOYSA-N 394.347 1.692 5 50 GDBA O=C1[C@H]2[C@H]3C=C[C@@](CNc4ccc([N+](=O)[O-])cn4)(O3)[C@@H]2C(=O)N1c1ccccc1 223989525 RUTDEKOGNOANKJ-FKKBTLCVSA-N 392.371 1.915 5 50 GDBA 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]43)[C@H]2C1=O 239425692 VAEDPFZZMBPTFT-WHRSFKOUSA-N 381.388 1.975 5 50 GDBA O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1CCCO 2999829 ZHJYGSGYWDBZTB-IOBOIYPZSA-N 378.384 1.649 5 50 GDBA O=C(c1c[nH]nc1[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)N1CCOCC1 328605456 NTOCYEUYZBUHKU-CYBMUJFWSA-N 386.412 1.569 5 50 GDBA NC(=O)c1c(NC(=O)CCCn2cnc([N+](=O)[O-])n2)sc2c1CCCC2 2886618 BMLJZTHBEJTMGL-UHFFFAOYSA-N 378.414 1.644 5 50 GDBA CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4740952 AZDDPFABKFMSPH-UHFFFAOYSA-N 397.501 1.514 5 50 GDBA COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=N 100630608 OJSAJGLDCHIERS-UHFFFAOYSA-N 383.452 1.784 5 50 GDBA aggregator CCN(CC(=O)O)C1CC(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 414678689 JOIQFIPUOAWRTK-XEBKBJJBSA-N 378.429 1.839 5 50 GDBA Cc1cc([N+](=O)[O-])nn1Cc1nc2c3cnn(-c4ccccc4)c3ncn2n1 2800529 RUMQFGQFDVQMCS-UHFFFAOYSA-N 375.352 1.925 5 50 GDBA COc1ccc(S(=O)(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 490134103 YMRWXERJYFSDST-BDJLRTHQSA-N 393.421 1.539 5 50 GDBA Cc1ccc([N+](=O)[O-])c(NCC2(O)CCN(C(=O)C(=O)C(C)(C)C)CC2)n1 1775992979 WCEVCHCURGHRKZ-UHFFFAOYSA-N 378.429 1.679 5 50 GDBA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 20606832 OSTPBUZBUGIJKP-XJKSGUPXSA-N 377.397 1.212 5 50 GDBA C[C@H](C(=O)Nc1ccc(N2CCOCC2)c2nonc12)n1cc([N+](=O)[O-])cn1 2784058 NNETZPJKBIOLML-SNVBAGLBSA-N 387.356 1.364 5 50 GDBA COC(=O)c1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCNC2 725374947 WRXKSHBMVXKKGY-UHFFFAOYSA-N 397.434 1.889 5 50 GDBA CCN(CC)S(=O)(=O)c1ccc(NC[C@H]2CN3CCN2CC3)c([N+](=O)[O-])c1 179076158 IYRZJMQPXHMYCR-AWEZNQCLSA-N 397.501 1.037 5 50 GDBA COCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 2926345 MNKIYUPUBUNQBW-UHFFFAOYSA-N 393.421 1.553 5 50 GDBA CC1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C)CC2)CC1 35347546 OSEKVXLLKGSUEQ-UHFFFAOYSA-N 382.486 1.767 5 50 GDBA CC(C)n1cc([C@@]2(O)CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)nn1 375249542 PKOKILZQLUKMNV-GOSISDBHSA-N 389.412 1.727 5 50 GDBA COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(OC)c1OC(C)=O 12379972 CZYAFEVUNRCEGU-SNAWJCMRSA-N 377.309 1.084 5 50 GDBA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1cccc([N+](=O)[O-])c1 239159547 MHXQWBOBHWHORV-OZINRZGZSA-N 381.388 1.977 5 50 GDBA NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 370761959 YMVUQKATSKFDLO-CQSZACIVSA-N 382.442 1.445 5 50 GDBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 1055565 HLTJHYWMGJKHKQ-UHFFFAOYSA-N 389.433 1.670 5 50 GDBA CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 2814543 CKJMCUDPXKQTAG-UHFFFAOYSA-N 377.422 1.720 5 50 GDBA O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(n1)OCCO2 848841129 YMHOSBKTHDHRIQ-HNNXBMFYSA-N 385.332 1.723 5 50 GDBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 4940602 SRRMWUVZNNTLKF-UHFFFAOYSA-N 375.362 1.686 5 50 GDBA CCOC(=O)COn1c(=O)c(-c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc21 4878942 JMMAVBIABLXMOL-UHFFFAOYSA-N 385.332 1.202 5 50 GDBA NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 1135610 RSLXNSODDIHEQO-JXMROGBWSA-N 375.406 1.614 5 50 GDBA COc1ccc2c(c1)CCN2C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 253405084 HJURTBVPIUNBRG-UHFFFAOYSA-N 377.378 1.454 5 50 GDBA NS(=O)(=O)c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3nonc23)cc1 22589837 ABNCQGURPDBDSJ-UHFFFAOYSA-N 380.298 1.430 5 50 GDBA Cc1cc(=O)c(C(=O)N2C[C@H](CN)CC[C@H]2C)nn1-c1ccccc1[N+](=O)[O-] 1875315778 HFVSWRNHABZRRN-OCCSQVGLSA-N 385.424 1.649 5 50 GDBA CCCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc21 100627797 QNZOZCVRGAONMP-ZDUSSCGKSA-N 381.436 1.447 5 50 GDBA COc1ccccc1-n1ccc2nc3ccn(-c4ncn[nH]4)c(=O)c3cc2c1=O 40267962 DZLYWYZDPBZNIC-UHFFFAOYSA-N 386.371 1.817 5 50 GDBA NC(=O)c1ccccc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1807589 ORPLDWUNJPYLEM-UHFFFAOYSA-N 382.332 1.319 5 50 GDBA CN(Cc1c(Br)cnn1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 20608279 ANGBFCLURKDLPW-UHFFFAOYSA-N 389.231 1.912 5 50 GDBA Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)CN2CCOCC2)CC1 170606575 YJXKENKWFDZJSN-UHFFFAOYSA-N 382.848 1.537 5 50 GDBA Cc1cc(=O)c(C(=O)N2C[C@H](CN)CC[C@@H]2C)nn1-c1ccccc1[N+](=O)[O-] 1875315777 HFVSWRNHABZRRN-JSGCOSHPSA-N 385.424 1.649 5 50 GDBA CCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)n1 40399138 TZJZCSCMQNXFLQ-UHFFFAOYSA-N 385.387 1.765 5 50 GDBA COc1ccc(S(=O)(=O)N(CCS(C)(=O)=O)C(C)C)cc1[N+](=O)[O-] 269860810 JANZGXSEPXSSEX-UHFFFAOYSA-N 380.444 1.047 5 50 GDBA Cc1nn(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c(C)c1[N+](=O)[O-] 2759732 ABSNUZSOSAEBRH-UHFFFAOYSA-N 387.396 1.519 5 50 GDBA Cc1noc(C)c1CCC(=O)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 1772493158 FBTOKICUZCUZKL-KBPBESRZSA-N 386.408 1.940 5 50 GDBA COCCCn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O 36358922 NEQMEAPBWGEGAA-UHFFFAOYSA-N 398.463 1.080 5 50 GDBA NC(=O)Cn1nc([N+](=O)[O-])nc1Sc1nc(-c2ccccc2Cl)n[nH]1 7004080 WWPDGTQTPHDMHQ-UHFFFAOYSA-N 380.777 1.261 5 50 GDBA Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(=O)N2C[C@]34CC[C@]3(COC4)C2)c1 2325813498 LVOBZPYAHZAESG-IYBDPMFKSA-N 381.410 1.414 5 50 GDBA Cn1cc(-c2nc([C@@H]3COCCN3C(=O)Nc3cccc([N+](=O)[O-])c3)no2)cn1 367884694 HUDZSOCPTOOOSF-AWEZNQCLSA-N 399.367 1.984 5 50 GDBA CC1(C)CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@]2(CCOC2)O1 369867388 IVEHBZQNNWGTSO-APWZRJJASA-N 375.425 1.970 5 50 GDBA CC(=O)NS(=O)(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 8444444 IXDLOPZMHOMLAB-UHFFFAOYSA-N 377.338 1.699 5 50 GDBA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1782115 UVAWMVARZABKKG-HNNXBMFYSA-N 389.320 1.723 5 50 GDBA COCCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc21 100662675 CWUXLBHYQCFANA-UHFFFAOYSA-N 395.463 1.838 5 50 GDBA CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O 230045662 LHNTXHHZKWQKRY-HNAYVOBHSA-N 386.408 1.985 5 50 GDBA O=C(c1ccn(Cc2nc(=O)o[nH]2)n1)N1CCCC[C@H]1c1cccc([N+](=O)[O-])c1 2325822009 WHHQZJPYJOIUOX-HNNXBMFYSA-N 398.379 1.883 5 50 GDBA O=c1c([N+](=O)[O-])ccc2n1C[C@H]1C[C@H]2CN(c2nc(Cl)nc3[nH]cnc23)C1 1775973349 GKQSDRBXZOULAG-IUCAKERBSA-N 387.787 1.700 5 50 GDBA CCCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21 100627799 QNZOZCVRGAONMP-CYBMUJFWSA-N 381.436 1.447 5 50 GDBA O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 4865586 FXZMBSIASGXHQK-UHFFFAOYSA-N 375.406 1.742 5 50 GDBA 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 239159653 MOEYYLKQHAXOSV-HSXSFOCCSA-N 381.388 1.975 5 50 GDBA O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952892031 BQTCPXNMUYYZMW-CYBMUJFWSA-N 386.290 1.925 5 50 GDBA Nc1nccc([C@H]2CCCN(S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)n1 225829831 LFLWOQQQPISADV-JTQLQIEISA-N 381.389 1.674 5 50 GDBA CC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 4703725 RZVYXNHHSWTJSC-UHFFFAOYSA-N 378.410 1.944 5 50 GDBA COC(=O)c1cc(C)nc(N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1[N+](=O)[O-] 375255497 XIUMUBMIGIIQHB-KRWDZBQOSA-N 390.400 1.355 5 50 GDBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cc(O[C@@H]2CCNC2)ccn1 725372898 BONJZDJABJICKC-CQSZACIVSA-N 378.410 1.209 5 50 GDBA Cc1cc(C(=O)N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n(C)n1 170595061 UGADQMKRHVYGED-UHFFFAOYSA-N 383.412 1.866 5 50 GDBA CCc1[nH]nc(C(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)c1[N+](=O)[O-] 170610725 FHBNLNDWNNGUAT-UHFFFAOYSA-N 397.351 1.132 5 50 GDBA O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1 1822279 YBGSSYVJHSMQMK-UHFFFAOYSA-N 385.296 1.921 5 50 GDBA COc1ccc(CCn2ccc3nc4ccn(N)c(=O)c4cc3c2=O)cc1OC 40398637 LOKFKSVGDYDWLL-UHFFFAOYSA-N 392.415 1.685 5 50 GDBA Cc1nn(Cc2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1[N+](=O)[O-] 2802889 BMAMKPIRCDSIDT-UHFFFAOYSA-N 375.352 1.925 5 50 GDBA O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)N2CCOCC2)c1 3995576 BFKSQGPQNKHXQG-UHFFFAOYSA-N 391.405 1.868 5 50 GDBA CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 19858510 WXZZBBQGZMPEEN-INIZCTEOSA-N 390.396 1.098 5 50 GDBA COC(=O)c1cc(C)nc(N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1[N+](=O)[O-] 375255498 XIUMUBMIGIIQHB-QGZVFWFLSA-N 390.400 1.355 5 50 GDBA COc1n[nH]c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1[N+](=O)[O-] 8450363 ZFDFIAYSTPISLG-UHFFFAOYSA-N 397.394 1.592 5 50 GDBA CCOC(=O)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1 3998682 UREXAFMALVJOGT-UHFFFAOYSA-N 382.392 1.849 5 50 GDBA CC(C)n1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc21 100630635 CWLJMSYRSSACCW-ZDUSSCGKSA-N 381.436 1.618 5 50 GDBA Nc1cc(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)ccn1 170607357 JTMXBJQUQWJDKX-UHFFFAOYSA-N 377.426 1.079 5 50 GDBA Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cn1 1471823895 AGQYVKLGZXMQKJ-AWEZNQCLSA-N 394.409 1.036 5 50 GDBA COc1ccc(NC(=S)NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 16346447 WFGJOIYAORBGRT-UHFFFAOYSA-N 382.423 1.783 5 50 GDBA NC(=O)Cn1nc([N+](=O)[O-])nc1Sc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 12374686 CQIMVPABGYAFFE-UHFFFAOYSA-N 390.341 1.121 5 50 GDBA COc1ccc(S(=O)(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 490134106 YMRWXERJYFSDST-ZBEGNZNMSA-N 393.421 1.539 5 50 GDBA Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccccc4)c(=N)n(C)c3nc12 100870206 RCASEZWACFRMAS-UHFFFAOYSA-N 380.429 1.807 5 50 GDBA O=C(Nc1ccccc1C(=O)N1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1 20272635 NLBJDZDSMCXPDB-UHFFFAOYSA-N 398.419 1.597 5 50 GDBA COc1ccc(/C=C/c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)c(OC)c1OC 4670432 QBCYTXJGIYVNER-SOFGYWHQSA-N 377.353 1.188 5 50 GDBA CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1145001 IQMIMMDHCWLWAN-FQEVSTJZSA-N 398.371 1.965 5 50 GDBA N=C(O)c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 328602113 AFWWMNWXYVNURL-QMMMGPOBSA-N 385.427 1.831 5 50 GDBA NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 3995701 NZICCMXJKTVHQS-UHFFFAOYSA-N 391.814 1.696 5 50 GDBA O=C(c1n[nH]c2c1CCCC2)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 409413938 WROKCCMNRRLAGV-NWDGAFQWSA-N 383.408 1.618 5 50 GDBA biogenic CCc1nc(C(=O)NCc2ccc3c(c2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)co1 1775992593 SNJDEHPVZUKOGV-GDBMZVCRSA-N 384.392 1.674 5 50 GDBA O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1175660 WHOMIGWCBXTYNV-UHFFFAOYSA-N 376.394 1.137 5 50 GDBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1CCCO 2999830 ZHJYGSGYWDBZTB-KQNFGGRRSA-N 378.384 1.649 5 50 GDBA O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(N2CCOCC2)c2nonc12 2781435 WVKSHQZUGYIQCW-UHFFFAOYSA-N 387.356 1.193 5 50 GDBA CCc1n[nH]c(-n2ccc3nc4ccn(C[C@@H]5CCCO5)c(=O)c4cc3c2=O)n1 40399156 WMVMYZUVYLRGDB-LBPRGKRZSA-N 392.419 1.560 5 50 GDBA COCCN1C=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1 2731659 SCZWDFXVVMWOIH-UHFFFAOYSA-N 376.365 1.754 5 50 GDBA CO[C@H](CS(=O)(=O)Nc1nccc2c([N+](=O)[O-])cccc12)[C@@H]1CCOC1 888096681 HUXJCYYXHIQTJI-IAQYHMDHSA-N 381.410 1.936 5 50 GDBA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1145003 IQMIMMDHCWLWAN-HXUWFJFHSA-N 398.371 1.965 5 50 GDBA O=[N+]([O-])c1ccc(N(CCO)CCN(CCO)c2ccc([N+](=O)[O-])cc2)cc1 4530678 IYSXXUMPBVHAOD-UHFFFAOYSA-N 390.396 1.801 5 50 GDBA CCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3cccc(C)c3nc21 100627736 BIMZWXCDAGUHGX-CYBMUJFWSA-N 381.436 1.366 5 50 GDBA O=C(NC[C@@H]1CCCO1)c1cc(C(=O)NC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 1090080 GLRAKKODIDKUJS-HOTGVXAUSA-N 377.397 1.412 5 50 GDBA CCCN1CCC(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 4724744 MXWRXBOCLZTKIJ-UHFFFAOYSA-N 396.513 1.776 5 50 GDBA Cc1sc(O)nc1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 2325872505 APBFTZROSIRTQL-VHSXEESVSA-N 392.393 1.645 5 50 GDBA O=C1C[C@H](Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 100116307 FEYSEBSALRMGIN-AWEZNQCLSA-N 396.388 1.995 5 50 GDBA CN(Cc1cc(O)nc(N)n1)[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 432174047 DZNBFUWIMHNXOA-LLVKDONJSA-N 378.820 2.037 5 50 GDBA O=C(Nc1ccc(Br)cc1)OC[C@@H]1C[N+]23CCO[B-]2(OCC3)O1 195779925 QXUPBBOGQQGLKC-UQHVZDHRSA-N 385.023 1.709 5 50 GDBA O=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 899693 RTZVGMSOMHBNHF-UHFFFAOYSA-N 389.433 1.670 5 50 GDBA Cc1cc([N+](=O)[O-])nn1CCc1n[nH]c(=S)n1CCCN1CCOCC1 20028568 SCQFVXLMKGXSIM-UHFFFAOYSA-N 381.462 1.319 5 50 GDBA Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 177394958 RHNSHXFSCJKRIP-HNNXBMFYSA-N 399.329 1.635 5 50 GDBA CS(=O)(=O)c1ccc([S@@](=O)CC(=O)OCc2ccccc2)c([N+](=O)[O-])c1 952013 HOPVGZYLIFZCOP-RUZDIDTESA-N 397.430 1.849 5 50 GDBA COC(=O)c1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc([N+](=O)[O-])c1 2865432 HDZCDFOYTXGLHS-UHFFFAOYSA-N 387.348 1.573 5 50 GDBA CN(Cc1cc(O)nc(N)n1)[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 432174048 DZNBFUWIMHNXOA-NSHDSACASA-N 378.820 2.037 5 50 GDBA O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1178569 RUENKCAOXQOVRO-UHFFFAOYSA-N 376.394 1.137 5 50 GDBA O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(Sc2ccccc2)c1 245238631 XBMKODJDSTWVOB-MWDXBVQZSA-N 378.406 1.597 5 50 GDBA CCOC(=O)[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 170626173 XRJLMGDBBRXRNS-OAHLLOKOSA-N 379.394 1.959 5 50 GDBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2ccccc2n1CCN1CCOCC1 19850937 HMYMBOIAIGLLMW-UHFFFAOYSA-N 399.411 1.263 5 50 GDBA 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 239159548 MHXQWBOBHWHORV-PXQICXGYSA-N 381.388 1.977 5 50 GDBA Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-] 13845879 CXQJULGCQBTONZ-OKILXGFUSA-N 386.360 1.580 5 50 GDBA C[C@@H]1O[C@H](Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@@H]1O 245238184 FLTTUASWHSPFOB-QBKCMYORSA-N 392.433 1.985 5 50 GDBA O=C(COC(=O)CN1C(=O)C(=O)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 4700002 KTYYNYKHFUIQGY-UHFFFAOYSA-N 383.316 1.306 5 50 GDBA N[C@@H]1CCN(c2cccc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)C1 725373103 LENVGZBLUREHCO-GFCCVEGCSA-N 377.426 1.006 5 50 GDBA CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 4677203 FDNHUDPUZDQDJF-OAHLLOKOSA-N 398.485 1.657 5 50 GDBA O=C(O)[C@H]1NCCN(C(=O)c2ccc3c(ccc4ccccc43)c2)[C@H]1C(=O)O 13642335 IWWXIZOMXGOTPP-ZWKOTPCHSA-N 378.384 1.945 5 50 GDBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 101471759 UOEPLLGZVDNILB-OBJOEFQTSA-N 397.453 1.674 5 50 GDBA O=[N+]([O-])c1ccc(S(=O)(=O)CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1758128 SJDXYOYRYMRMMK-UHFFFAOYSA-N 386.363 1.708 5 50 GDBA C[C@H](c1ccccc1)[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 294430480 YQGVAQTWQYBTKH-FZKQIMNGSA-N 398.419 1.489 5 50 GDBA O=C(NC[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1cc([N+](=O)[O-])cnc1O 364717856 ROHOAQZFUAHUIG-MRVPVSSYSA-N 385.302 1.903 5 50 GDBA NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 444089938 QQSVPLKOJMTFHU-CYBMUJFWSA-N 385.445 1.574 5 50 GDBA CCCCn1nnc(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)n1 15919288 LQKDXIOCJSHVDE-UHFFFAOYSA-N 393.429 1.907 5 50 GDBA O=C([C@@H]1COCCN1CC1CCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 225581389 LQWVLGZYDRDWRH-IBGZPJMESA-N 388.468 1.744 5 50 GDBA C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C[C@@H](C)O1 5587110 SZMCOSGGUCBUTK-OKILXGFUSA-N 398.485 1.145 5 50 GDBA COc1ccc(S(=O)(=O)NC(C)(C)c2cn(C(C)C)nn2)c([N+](=O)[O-])c1 420765305 QQHMEYYVVVLGBY-UHFFFAOYSA-N 383.430 1.989 5 50 GDBA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1 4099562 LRQXDKAQYSRKPX-NNFUDEMPSA-N 393.392 1.761 5 50 GDBA NC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 420447636 JYFVBGGTBPWOOZ-PSASIEDQSA-N 378.248 1.763 5 50 GDBA CC[C@H](C(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F)n1nc([N+](=O)[O-])cc1C 6555264 DMFVXYIKNNFCLQ-AMIZOPFISA-N 381.286 1.858 5 50 GDBA CCc1nnc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 22171299 JCLLZWRFYDZTMZ-UHFFFAOYSA-N 376.442 1.769 5 50 GDBA COC(=O)COc1c(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cccc1OC 13124550 DXFBYSIZBWSRJE-SREVYHEPSA-N 377.309 1.115 5 50 GDBA Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 2751245 FUDMJMNRESSCQW-UHFFFAOYSA-N 386.360 1.824 5 50 GDBA CCOC(=O)c1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2O)nc1N 9235821 SQFQADYFBQKKOD-UHFFFAOYSA-N 393.381 1.580 5 50 GDBA O=C(NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccc2nncn2c1 225527753 BCOQKTKSTXRCQJ-UHFFFAOYSA-N 399.747 1.549 5 50 GDBA O=C(Nc1ccc(Br)cc1)OC[C@H]1C[N+]23CCO[B-]2(OCC3)O1 195779923 QXUPBBOGQQGLKC-MJJDPTRDSA-N 385.023 1.709 5 50 GDBA CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)c1=N 100627311 XBFOTCPXOQHVGE-ZDUSSCGKSA-N 382.420 1.793 5 50 GDBA CCOc1cc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)cc([N+](=O)[O-])c1O 35867432 JBQLHINMCCNVRO-UHFFFAOYSA-N 392.364 1.842 5 50 GDBA Cc1ccc2nc3c(cc(C(=O)NC[C@H]4CCCO4)c(=N)n3C(C)C)c(=O)n2c1 100630648 IGEGQMRYOQZWLH-CQSZACIVSA-N 395.463 1.927 5 50 GDBA O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC[C@@]2(CCOC2)C1 154617167 OJCGYBOJTMWOMF-SJKOYZFVSA-N 379.438 1.900 5 50 GDBA CN(C)c1noc(C2CCN(S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)n1 170613223 QRVSFGIHEHAOHY-UHFFFAOYSA-N 399.404 1.751 5 50 GDBA COc1ccc(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 991327 ISWGWUJDDUAJJL-UHFFFAOYSA-N 398.327 1.626 5 50 GDBA COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)c1cccc([N+](=O)[O-])c1 1587966 GFMRYONVBXBAJI-UHFFFAOYSA-N 377.334 1.478 5 50 GDBA CC(C)Cn1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cn1 820108996 YIUHVWDNJFFRBM-UHFFFAOYSA-N 392.401 1.428 5 50 GDBA COC(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1 2058213 QFKKGEUZMVZHFB-UHFFFAOYSA-N 394.361 1.969 5 50 GDBA O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2)ccc1N1CCOCC1 4158835 NOVLAMBEZQQRQB-UHFFFAOYSA-N 377.422 1.910 5 50 GDBA O=[N+]([O-])c1ccn(CCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)n1 2800785 ZHWOEPSTNKUEIY-UHFFFAOYSA-N 375.352 1.811 5 50 GDBA CS(=O)(=O)c1ccc([S@](=O)CC(=O)Oc2ccccc2)c([N+](=O)[O-])c1 4978259 HPTPNDZUQKXJFF-DEOSSOPVSA-N 383.403 1.712 5 50 GDBA O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(O)cc1C(=O)O 2248690 HIIJIVRSLWLWQW-UHFFFAOYSA-N 385.288 1.233 5 50 GDBA COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1c([N+](=O)[O-])cnc1C 1423856 CCKGEGIVZBIVFX-UHFFFAOYSA-N 378.341 1.542 5 50 GDBA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 20606830 OSTPBUZBUGIJKP-BBRMVZONSA-N 377.397 1.212 5 50 GDBA O=C(CCc1cccc([N+](=O)[O-])c1)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 153905765 QCLVNZXNOCSJHX-UHFFFAOYSA-N 383.364 1.452 5 50 GDBA COC(=O)c1ccc(OC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1194822 CUSZBVRWWWVORN-UHFFFAOYSA-N 384.300 1.583 5 50 GDBA O=C(Cc1ccc2c(c1)OCC2)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 1772492848 UADFPAPAKGGQGD-HOCLYGCPSA-N 395.415 1.880 5 50 GDBA COc1cc(CN2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])cc1F 367523781 PGSUBSFZWKACFZ-OAHLLOKOSA-N 398.416 1.448 5 50 GDBA CCn1ncc(Br)c1CNC(=O)CCn1ncc([N+](=O)[O-])c1C 2802817 WCUAAFMTVLWGDQ-UHFFFAOYSA-N 385.222 1.785 5 50 GDBA Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(NCc3ccc4c(c3)OCO4)cc21 4708974 ALRSCVMYAZIHNF-UHFFFAOYSA-N 384.348 1.486 5 50 GDBA COCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc21 100680121 RWRROPCQOYRKGR-UHFFFAOYSA-N 381.436 1.447 5 50 GDBA COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2870438 RTHMLNWIEFTCEG-NSHDSACASA-N 379.394 1.909 5 50 GDBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 893016 FTWLNIMSWSNZSR-UHFFFAOYSA-N 375.406 1.742 5 50 GDBA O=C1[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 227071413 BPXFSCLEJBAKNO-YXMPFFBPSA-N 395.165 1.163 5 50 GDBA Cc1cccn2c(=O)c3cc(S(C)(=O)=O)c(=N)n(Cc4ccco4)c3nc12 1775977329 SZSRJTKAHQVTHF-UHFFFAOYSA-N 384.417 1.482 5 50 GDBA O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 20272589 NBDNGKWWFGRFKT-UHFFFAOYSA-N 398.419 1.909 5 50 GDBA O=C(c1ccccc1)N1CN2CN(C(=O)c3ccccc3)CC([N+](=O)[O-])(C2)C1 22205316 AQDQQXVYOHUPRV-UHFFFAOYSA-N 380.404 1.531 5 50 GDBA COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 4834514 BJPFLZGIGWIGGQ-UHFFFAOYSA-N 379.394 1.863 5 50 GDBA O=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 4730845 XJAXSHZBMCNOSO-UHFFFAOYSA-N 389.433 1.670 5 50 GDBA 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 245257239 XKMNRBHVUONMEI-RUSAUJBJSA-N 399.363 1.243 5 50 GDBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nnnn2-c2ccccc2)CC1 2890944 DHSSUVHMXLIIMV-UHFFFAOYSA-N 379.380 1.533 5 50 GDBA 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 253487632 MXRXMPOFPWKSLI-QXSJWSMHSA-N 396.403 1.924 5 50 GDBA O=C(O)CCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 4836889 NANLUKQKINHVKR-SDNWHVSQSA-N 387.348 1.940 5 50 GDBA Cc1nc2ccccn2c(=O)c1CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 241447006 NQKFCZAMNUPTES-UHFFFAOYSA-N 378.344 1.750 5 50 GDBA CCC(=O)N=S1(=O)CCC2(CC1)CN(c1ccnc(O)c1[N+](=O)[O-])CCO2 2325784936 VEVUTTVLDKIAEN-UHFFFAOYSA-N 398.441 1.469 5 50 GDBA NC(=O)c1cccc(N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)n1 2325873847 WHMCYZMEWKHZNA-UHFFFAOYSA-N 381.396 1.682 5 50 GDBA CC(C)(C)OC(=O)N1CCN(c2cc(C=O)ccc2[N+](=O)[O-])C[C@H]1C(=O)O 169725222 PRPPHKWBLLDHNX-AWEZNQCLSA-N 379.369 1.918 5 50 GDBA Cn1ncc2c1ncn1nc(-c3ccc(Cn4ccc([N+](=O)[O-])n4)cc3)nc21 2800095 ROBPGYLCMKCVOE-UHFFFAOYSA-N 375.352 1.831 5 50 GDBA O=[N+]([O-])c1cnn(CCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)c1 2800413 BELGSMDSMYMDHG-UHFFFAOYSA-N 375.352 1.811 5 50 GDBA CN(C)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2936730 PFUIUWMBQCLETJ-INIZCTEOSA-N 379.438 1.713 5 50 GDBA Cc1c(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2N)cccc1[N+](=O)[O-] 225750094 IZEZGDIALBYWLC-UHFFFAOYSA-N 378.410 1.988 5 50 GDBA COc1ccc(S(=O)(=O)N[C@H](C(N)=O)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 490134104 YMRWXERJYFSDST-BZNIZROVSA-N 393.421 1.539 5 50 GDBA CCOC(COCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])OCC 170618746 YUHAENRPCKEIIN-UHFFFAOYSA-N 376.431 1.826 5 50 GDBA CC(C)NS(=O)(=O)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 225813872 GUPYSYZYNGLBOT-UHFFFAOYSA-N 379.442 1.508 5 50 GDBA CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc([N+](=O)[O-])c1O 36180231 IPISNRKXMMSHHF-IZZDOVSWSA-N 382.350 1.908 5 50 GDBA CN(C)S(=O)(=O)N1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 413317200 YHCPXIYHRBSDNL-UHFFFAOYSA-N 397.379 1.327 5 50 GDBA COCCCn1ccc2nc3ccn(-n4c(C)nnc4C)c(=O)c3cc2c1=O 38829302 YXHJLNDKKMASMH-UHFFFAOYSA-N 380.408 1.268 5 50 GDBA COC(=O)c1cccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1C 1074697 SGVJEVRPTILVJG-UHFFFAOYSA-N 397.343 1.925 5 50 GDBA C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccc([N+](=O)[O-])cc5)[C@@H]34)[C@H]2C1=O 245257238 XKMNRBHVUONMEI-MZSNUMIJSA-N 399.363 1.243 5 50 GDBA Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(=O)N2C[C@@]34CC[C@]3(COC4)C2)c1 2325813497 LVOBZPYAHZAESG-HZPDHXFCSA-N 381.410 1.414 5 50 GDBA CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)c([N+](=O)[O-])c2)C[C@H]1C(=O)O 169725287 OKHHDOBVCIRKSX-AWEZNQCLSA-N 379.369 1.918 5 50 GDBA O=C(c1ccn(Cc2nc(=O)o[nH]2)n1)N1CCCC[C@@H]1c1cccc([N+](=O)[O-])c1 2325822010 WHHQZJPYJOIUOX-OAHLLOKOSA-N 398.379 1.883 5 50 GDBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccnc1)S(C)(=O)=O 6244921 YIOJBRWDRMCNTC-UHFFFAOYSA-N 394.409 1.081 5 50 GDBA