smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(N)=O)CC2)c([N+](=O)[O-])c1 95947244 LEZMNLBIPTXHFH-UHFFFAOYSA-N 385.446 0.826 5 40 GCBB CCCCn1c(=O)[nH]c(=O)c2c1nc(Cn1cc([N+](=O)[O-])ccc1=O)n2CC 32788862 BEONUZSWZVSUTJ-UHFFFAOYSA-N 388.384 0.825 5 40 GCBB O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCCO2)CC1 3331545 HPODFFQNZOWMFZ-CQSZACIVSA-N 378.341 0.966 5 40 GCBB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](C)Cn3cc([N+](=O)[O-])cn3)[C@H]2SC1 35678343 QEHHUFJINZLAJE-LTRYTXMFSA-N 395.397 0.186 5 40 GCBB O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 40115800 NMSDIKJEMVKDCM-GXSJLCMTSA-N 397.438 0.189 5 40 GCBB Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(NCCCN3CCOCC3)cc21 20428084 OJFCPMPEPSXCCP-UHFFFAOYSA-N 377.401 0.280 5 40 GCBB O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[C@@H]1NC(=S)NC1=O 102969234 PUUCYBHJCJWIQX-ZETCQYMHSA-N 376.272 0.494 5 40 GCBB CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCSC[C@H]32)C1=O 13690573 VYSZYUXUYGNXCZ-BLLLJJGKSA-N 376.394 0.767 5 40 GCBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 14162931 KCZZKARFNGFYKR-UONOGXRCSA-N 376.369 0.633 5 40 GCBB CC(=O)N[C@@H]1[C@@H](OCc2ccc([N+](=O)[O-])cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 4026756 OOFFXOCMFXFNIN-ALYAQQCSSA-N 396.396 0.853 5 40 GCBB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4[C@H]3N=NN4c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 100123184 AUBMHCNJNUOXBM-SLQSZJTJSA-N 385.336 0.855 5 40 GCBB CNc1nccc(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] 553224151 PTGXSMXJXWRDEH-HNNXBMFYSA-N 385.424 1.528 5 40 GCBB CCOC(=O)C1=C(COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)NC(=O)N[C@H]1C 9254910 JNNAIUMVSOFKLA-QMMMGPOBSA-N 395.372 0.470 5 40 GCBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801087 DXQOVPBJFJXDFY-HUUCEWRRSA-N 389.412 0.548 5 40 GCBB C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1C(=O)N1CCOCC1 10078673 UPMMOLFEGACKSQ-LBPRGKRZSA-N 384.414 0.699 5 40 GCBB CCN(CC)S(=O)(=O)c1ccc2oc3c(c(=O)c2c1)c(=O)n(C)c(=O)n3C 40156628 JBXVEFPXKBYSMT-UHFFFAOYSA-N 393.421 0.374 5 40 GCBB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)N(C)C1=S 409213369 TUXQLSWMKYXZDF-YHYXMXQVSA-N 381.366 0.882 5 40 GCBB CCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2=O 9419030 FIWXVIUHNDQFMQ-UHFFFAOYSA-N 375.385 0.940 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N2C(=S)NC(=O)C(C)(C)N12 10153647 YKHAINYTURCCQI-NSHDSACASA-N 391.409 0.853 5 40 GCBB CCOC(=O)CCCNC(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 13522014 RCLWUURZQQRECT-UHFFFAOYSA-N 396.352 0.998 5 40 GCBB CCN(C(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)[C@H]1CCS(=O)(=O)C1 12533549 DWHSOQVVRDUICE-LBPRGKRZSA-N 394.409 0.340 5 40 GCBB O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1 2474977 KQPQPZUVEBYFTB-CQSZACIVSA-N 383.426 0.997 5 40 GCBB C[C@@H]1CN(c2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 20391847 PDCXSFOPCAPIOP-VXGBXAGGSA-N 381.437 0.325 5 40 GCBB CC(=O)N[C@@H]1[C@H](OCc2ccc([N+](=O)[O-])cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 247944374 OOFFXOCMFXFNIN-BPKGMFCQSA-N 396.396 0.853 5 40 GCBB biogenic COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(C)C2=O)OC 9434005 CKAYGQSBIJKSLD-KRWDZBQOSA-N 392.368 0.271 5 40 GCBB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3nn(C)c(C)c3[N+](=O)[O-])[C@@H]2SC1 2752126 LJFMWVWBZINCBL-SDBXPKJASA-N 381.370 0.009 5 40 GCBB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cc1OC 40114923 RVDFFWAYWIHBMA-QWHCGFSZSA-N 399.425 0.202 5 40 GCBB C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)n1ccnc1 40143476 GKKFZOZFGBKONF-CYBMUJFWSA-N 393.425 0.885 5 40 GCBB CN1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 86053418 FDTOFQZJZALUGI-CQSZACIVSA-N 387.396 0.308 5 40 GCBB CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 4042676 BAQKZBVEURTTFC-OXGONZEZSA-N 382.369 0.716 5 40 GCBB biogenic COCC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C(N)=O 95463028 QLAPWEPQGRRJRP-CYBMUJFWSA-N 386.430 0.682 5 40 GCBB CCc1cc([N+](=O)[O-])c(NC[C@@H](O)[C@@H](O)[C@H](O)CO)cc1Br 4760369 YGJQWVWPZJXXGY-JHJVBQTASA-N 379.207 0.407 5 40 GCBB CCN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCS(=O)(=O)C1 10386977 QAZBSJPXHBRBIA-LLVKDONJSA-N 395.393 0.226 5 40 GCBB COc1ccc(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1S(N)(=O)=O 9127498 RVXDPYACVMLWIU-UHFFFAOYSA-N 396.381 0.972 5 40 GCBB O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 3530987 BKDZGPMCAWWFFS-SECBINFHSA-N 376.774 0.708 5 40 GCBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CN3CCOC3=S)CC2)c1 12893460 FNVRIFAUKZYEQY-UHFFFAOYSA-N 386.455 0.476 5 40 GCBB COC[C@H](O)CN1CCN(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])CC1 16194343 RZIHNRZICHVBKB-GFCCVEGCSA-N 398.372 0.419 5 40 GCBB C[C@@H](OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 12554570 SRQVZJJQVCAHDR-ZYHUDNBSSA-N 399.425 0.509 5 40 GCBB CC(=O)N[C@H]1[C@@H](OCc2ccc([N+](=O)[O-])cc2)O[C@H]2COC(C)(C)O[C@@H]2[C@H]1O 217371256 OOFFXOCMFXFNIN-QEOTZNIISA-N 396.396 0.853 5 40 GCBB Cn1c(=O)c2nc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n(C)c2n(C)c1=O 10166207 JARRCLUAWLXDSC-UHFFFAOYSA-N 389.393 0.854 5 40 GCBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 13945696 IDAHLZADEZFGLR-GJZGRUSLSA-N 389.412 0.548 5 40 GCBB O=C([C@H]1CCCO1)N1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 12873496 HAOOQGLQUPZCKE-OAHLLOKOSA-N 376.369 0.783 5 40 GCBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1 40105636 XKAMMZPEALBDSM-UHFFFAOYSA-N 392.459 0.016 5 40 GCBB NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCc3[nH]c4ccccc4c3C2)c1=O 27056113 COPAMTVXGIFFQC-UHFFFAOYSA-N 395.375 0.922 5 40 GCBB Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCNC(=O)N(C)C)ccc1[N+](=O)[O-] 95458497 XOVNJELFFFPVNX-OAHLLOKOSA-N 391.428 0.895 5 40 GCBB CN(Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 24585739 XJQQFNMWSYTMFJ-UHFFFAOYSA-N 395.441 0.986 5 40 GCBB C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nnn[nH]1 97102718 UUNKVQIMZVNMLS-JTQLQIEISA-N 397.417 0.344 5 40 GCBB Cc1nc(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n[nH]1 89497119 OUXNZZRZBLBTHM-UHFFFAOYSA-N 396.429 0.697 5 40 GCBB CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13026987 SOXOHTLZFCVHDM-DTWKUNHWSA-N 387.370 0.144 5 40 GCBB C[C@@]1(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)CCS(=O)(=O)C1 22357944 KKTKPFLPQRHHDE-OAHLLOKOSA-N 386.430 0.104 5 40 GCBB CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 12972355 QSOQHSXLMZOWQH-UHFFFAOYSA-N 384.458 0.654 5 40 GCBB N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1CCO 100895240 JVHSQVJMKHPCOE-LBPRGKRZSA-N 383.408 0.030 5 40 GCBB C[C@@H]1CN(c2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 20393606 AXCHCUHMOKZCJU-CHWSQXEVSA-N 395.464 0.715 5 40 GCBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1C[C@H](O)[C@H](O)C1 72310956 ZEQCDUUCNFNXQU-IYBDPMFKSA-N 385.442 0.701 5 40 GCBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCN(C)CC1)S(C)(=O)=O 14155183 CQBHVJYHOGWWFX-UHFFFAOYSA-N 386.430 0.143 5 40 GCBB C[C@H]1CN(c2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 13769720 PDCXSFOPCAPIOP-TXEJJXNPSA-N 381.437 0.325 5 40 GCBB O=C(COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1ncccn1 3302289 JLUOYPSNIJRPSH-UHFFFAOYSA-N 393.743 0.950 5 40 GCBB Cc1cccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)c1[N+](=O)[O-] 3412838 VHKWJOBKYLPLRL-UHFFFAOYSA-N 381.366 0.872 5 40 GCBB C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 12757214 VPGWPSJDNKDDQA-GWCFXTLKSA-N 385.398 0.889 5 40 GCBB COC(=O)c1c[nH]c(=O)c(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 32933536 KRWGUIMBNFALEL-UHFFFAOYSA-N 383.338 0.879 5 40 GCBB CN(C)n1ccc2nc3ccn(CCCN4CCOCC4)c(=O)c3cc2c1=O 40398684 DXEFHSUUCBHJNX-UHFFFAOYSA-N 383.452 0.631 5 40 GCBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 25315856 SPHDYUKMSBVRTE-CQSZACIVSA-N 383.426 0.305 5 40 GCBB Cn1c(=O)c2nc(SCC(=O)c3cccc([N+](=O)[O-])c3)n(C)c2n(C)c1=O 15882265 QWDVHFSTBXTIPH-UHFFFAOYSA-N 389.393 0.854 5 40 GCBB C[C@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 29188005 HWAMFGSOBCXSBZ-STQMWFEESA-N 385.442 0.693 5 40 GCBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1[N+](=O)[O-] 23187557 MLQNMXOBSFBUMS-UHFFFAOYSA-N 398.441 0.026 5 40 GCBB O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 40115105 QZLTVBOEDCOEMC-ZWNOBZJWSA-N 375.353 0.463 5 40 GCBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NC(N)=O)cc1[N+](=O)[O-] 3486678 MGACBHDAIKNSFP-UHFFFAOYSA-N 380.342 0.226 5 40 GCBB NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 217734992 XORIFJBAXYQPBA-UHFFFAOYSA-N 395.349 0.958 5 40 GCBB NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1=O 40050087 SHEIGGQILOPFMR-UHFFFAOYSA-N 387.352 0.302 5 40 GCBB Cc1nn(CC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c(C)c1[N+](=O)[O-] 9127824 CICMHQSEFAMJKU-UHFFFAOYSA-N 387.352 0.937 5 40 GCBB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 145579187 WSJUZIBFTJLDOM-NXKWAJLKSA-N 399.359 0.884 5 40 GCBB COc1ccc(CNC(=O)CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 58178823 DNEAILBRQQSFHL-UHFFFAOYSA-N 375.385 0.849 5 40 GCBB CC[N+](C)(CC)CCNC(=O)c1nc[nH]c1C(=O)NCC[N+](C)(CC)CC 670422172 GLUKXIBEDZIDHZ-UHFFFAOYSA-P 382.553 0.842 5 40 GCBB C[C@@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 12809986 YKCDABSKBCLRQT-ZWNOBZJWSA-N 385.398 0.889 5 40 GCBB NS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 38718195 LEFQKLHPVFQYQZ-UHFFFAOYSA-N 378.366 0.497 5 40 GCBB COc1cc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc([N+](=O)[O-])c1O 20851448 JRLJQUOEOXGODF-QMMMGPOBSA-N 376.325 0.181 5 40 GCBB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1 2621828 AWJPKWODLKBIHU-UHFFFAOYSA-N 397.365 0.351 5 40 GCBB C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CCN1S(C)(=O)=O 4687282 NEGZAXIAGRBQFG-ZDUSSCGKSA-N 384.458 0.902 5 40 GCBB CC1(C)C(=O)NC(=S)N2C(=O)C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)N21 9130537 PDEACTVYUNSQKB-JTQLQIEISA-N 377.382 0.545 5 40 GCBB C[C@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CC1 12739762 RTXREBAOXLVXRE-IUCAKERBSA-N 375.337 0.790 5 40 GCBB Cc1n[nH]c(-n2ccc3nc4ccn(-n5c(C)nnc5C)c(=O)c4cc3c2=O)n1 40288345 LMPBNJPVUFFHBQ-UHFFFAOYSA-N 389.379 0.647 5 40 GCBB NS(=O)(=O)c1ccc(N2CCN(CCN3CCCC3)CC2)c([N+](=O)[O-])c1 12557640 RBAGURSJBCGNQF-UHFFFAOYSA-N 383.474 0.460 5 40 GCBB COc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1[N+](=O)[O-] 10679825 FCQAOSZXZBWCMU-UHFFFAOYSA-N 393.443 0.306 5 40 GCBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1cccc([N+](=O)[O-])c1 14162937 KCZZKARFNGFYKR-KBPBESRZSA-N 376.369 0.633 5 40 GCBB CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCSC[C@@H]32)C1=O 36585422 VYSZYUXUYGNXCZ-WBMJQRKESA-N 376.394 0.767 5 40 GCBB CCOC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 9075391 DNGWYKVFZVOCCY-KRWDZBQOSA-N 388.336 0.768 5 40 GCBB CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O 4624349 XDSVYRGPAXVUJP-KDOFPFPSSA-N 388.380 0.831 5 40 GCBB Cc1ccc(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1[N+](=O)[O-] 9126548 YGDYMHLKTCZKGH-UHFFFAOYSA-N 378.341 0.715 5 40 GCBB CN1CCN(C(=O)c2cc(C(=O)N3CCN(C)CC3)cc([N+](=O)[O-])c2)CC1 20130796 HOQGAIOJBNRKHP-UHFFFAOYSA-N 375.429 0.370 5 40 GCBB Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc(CCC(=O)O)c1=O 12347614 VVTXITGCTSXJHW-UHFFFAOYSA-N 394.369 0.008 5 40 GCBB Cc1ccc(NC(=O)[C@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1[N+](=O)[O-] 17079898 LNTIAKKVMXWBGM-LLVKDONJSA-N 391.409 0.853 5 40 GCBB CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N(C)C1=S 4624010 DQQHMYSPZFXUAD-CYBMUJFWSA-N 390.421 0.558 5 40 GCBB CCOC(=O)C1=C(Cn2cc([N+](=O)[O-])cn2)NC(=O)N[C@@H]1c1cnn(CC)c1 17079450 GGXLOYKSCGCFAD-CQSZACIVSA-N 389.372 0.879 5 40 GCBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 25909004 AASWEIMQEKKTEK-CYBMUJFWSA-N 389.455 0.088 5 40 GCBB Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc2c1oc(=O)c1ccccc12 6733708 KCOQZMRVUZCTBG-ISIBIEBGSA-N 388.372 0.433 5 40 GCBB biogenic CCN(CC)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 12516912 HTGWDEABANMLIB-UHFFFAOYSA-N 394.475 0.586 5 40 GCBB O=[N+]([O-])c1ccc(NNC(=S)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 9439573 YBZRMAVIKDLOMJ-SSDOTTSWSA-N 375.388 0.481 5 40 GCBB O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 12289032 BBWFHLLHICTSSP-MRVPVSSYSA-N 375.384 0.898 5 40 GCBB Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 95469369 XODNGWXRDBJHSB-UHFFFAOYSA-N 398.379 0.074 5 40 GCBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C1=O 409304810 LDNYERNQVMVXSU-KHSSZTOVSA-N 388.332 0.789 5 40 GCBB COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 23102552 INRMTTBWOMWKDQ-UHFFFAOYSA-N 398.441 0.702 5 40 GCBB O=C(C[C@H](NCCCN1CCOCC1)C(=O)O)Nc1cccc([N+](=O)[O-])c1 23230096 ZQYKLUKRYPGMRQ-HNNXBMFYSA-N 380.401 0.689 5 40 GCBB Cc1nn(CC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-] 3416659 NLNIKOQAASQVLX-UHFFFAOYSA-N 390.352 0.996 5 40 GCBB CN1CCN(C(=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc2=O)CC1 19589693 RVQNTDJBCACDDS-QGZVFWFLSA-N 384.392 0.955 5 40 GCBB O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N(CCO)CCO)c1ccco1 4976745 KFZHPQIWQDXHFM-QINSGFPZSA-N 389.364 0.772 5 40 GCBB O=C(C[C@@H](NCCOCCO)C(=O)O)Nc1cc([N+](=O)[O-])ccc1Cl 39880753 QWGXIHGVQUXIDJ-GFCCVEGCSA-N 375.765 0.629 5 40 GCBB O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]34)[C@H]2C1=O 247442755 XSLCLZSJLGCMKI-VZTYQMJBSA-N 385.332 0.649 5 40 GCBB C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4899539 JJSQTVFRQZPPIV-MJVIPROJSA-N 377.401 0.376 5 40 GCBB C[C@@H](C(=O)N1CCCCC1)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 79106156 SIKTYXWMKIQFMC-ZDUSSCGKSA-N 390.444 0.612 5 40 GCBB CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 9357099 VXNOYVGFJCMXLE-HNNXBMFYSA-N 375.297 0.903 5 40 GCBB Cc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] 10090286 NMLLDJSFUOEBOF-UHFFFAOYSA-N 384.396 0.772 5 40 GCBB O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)N1CCOCC1 9113292 OITURMCFNQEEHT-UHFFFAOYSA-N 382.804 0.756 5 40 GCBB CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O 8993677 XDSVYRGPAXVUJP-KBXCAEBGSA-N 388.380 0.831 5 40 GCBB CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 9255206 SOXOHTLZFCVHDM-BDAKNGLRSA-N 387.370 0.144 5 40 GCBB CNS(=O)(=O)Cc1ccc(CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 40017391 ZTTSITFSNMVOPC-UHFFFAOYSA-N 395.441 0.774 5 40 GCBB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](C)Cn3cc([N+](=O)[O-])cn3)[C@@H]2SC1 13959687 QEHHUFJINZLAJE-IMIVBSTGSA-N 395.397 0.186 5 40 GCBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801095 DXQOVPBJFJXDFY-CABCVRRESA-N 389.412 0.548 5 40 GCBB C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 22195277 ISAZTDHLXRCHMD-LBPRGKRZSA-N 382.442 0.568 5 40 GCBB CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(C)C(=S)N=C3O)[C@@H]2C1 33821855 GFSNSRSUEWGIEA-SUMWQHHRSA-N 389.437 0.971 5 40 GCBB CC(=O)N[C@@H]1[C@H](OCc2ccc([N+](=O)[O-])cc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1O 2132804 OOFFXOCMFXFNIN-ZHCJQAHYSA-N 396.396 0.853 5 40 GCBB biogenic CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 2661960 WHRMIACERZRUBG-LLVKDONJSA-N 386.382 0.450 5 40 GCBB CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 9255203 SOXOHTLZFCVHDM-IUCAKERBSA-N 387.370 0.144 5 40 GCBB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)no1 408670868 XJKBVMRWYGBEBA-NSHDSACASA-N 388.336 1.426 5 40 GCBB O=C(COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1 5824905 NAJWQVNIZQLRIU-CQSZACIVSA-N 379.369 0.553 5 40 GCBB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](C)Cn3cc([N+](=O)[O-])cn3)[C@@H]2SC1 13959688 QEHHUFJINZLAJE-LXORQNMDSA-N 395.397 0.186 5 40 GCBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC2(CC1)OCCO2 24995275 VBGFWBJBTLSFQJ-UHFFFAOYSA-N 375.337 0.556 5 40 GCBB COC[C@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 408616018 FAXADVKYFFIBPO-JTQLQIEISA-N 375.403 0.521 5 40 GCBB C[C@H]1CN(c2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 20393610 AXCHCUHMOKZCJU-STQMWFEESA-N 395.464 0.715 5 40 GCBB CCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 24977626 XCPNLYALMXFGOI-UHFFFAOYSA-N 384.458 0.817 5 40 GCBB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3nn(C)c(C)c3[N+](=O)[O-])[C@@H]2SC1 2752125 LJFMWVWBZINCBL-OQPBUACISA-N 381.370 0.009 5 40 GCBB Cn1c(=O)n(C)c2nc(Cl)c(CC(=O)c3cccc([N+](=O)[O-])c3)n2c1=O 28527019 STKKJZQANLGKDT-UHFFFAOYSA-N 377.744 0.719 5 40 GCBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 40115101 QZLTVBOEDCOEMC-MFKMUULPSA-N 375.353 0.463 5 40 GCBB Nc1ncnc2c1ncn2CCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 58003659 JNAQIPGWZUBGQY-UHFFFAOYSA-N 383.416 0.924 5 40 GCBB COC[C@@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 408616019 FAXADVKYFFIBPO-SNVBAGLBSA-N 375.403 0.521 5 40 GCBB CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOCCO)c1=N 100628133 IAUYXOLKTPRSFR-UHFFFAOYSA-N 385.424 0.196 5 40 GCBB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](C)Cn3cc([N+](=O)[O-])cn3)[C@@H]2SC1 13959686 QEHHUFJINZLAJE-BNOYYICYSA-N 395.397 0.186 5 40 GCBB O=C(O)CN1C(=O)N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 408595973 YJCHNLCJQKRJFV-WQLSENKSSA-N 376.325 0.409 5 40 GCBB Cc1nc(O)c(C(c2ccccc2[N+](=O)[O-])c2c(O)nc(C)[nH]c2=O)c(=O)[nH]1 16363281 HIBSLUOWIXXPEL-UHFFFAOYSA-N 385.336 0.970 5 40 GCBB CCOC(=O)c1cc(C(=O)NCCS(=O)(=O)NC2CC2)cc([N+](=O)[O-])c1 32814653 NPHNYOPXJAUFHD-UHFFFAOYSA-N 385.398 0.583 5 40 GCBB NS(=O)(=O)c1ccc(OCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 25398737 RRVPEOUYXIQHOP-UHFFFAOYSA-N 391.361 0.917 5 40 GCBB CS(=O)(=O)c1ccc(NCCNC(=O)Cn2ccccc2=O)c([N+](=O)[O-])c1 9338701 OIILLEZKXIVCRF-UHFFFAOYSA-N 394.409 0.388 5 40 GCBB Cn1c(=O)c2c(nc3n(CCO)c(-c4ccc([N+](=O)[O-])cc4)cn23)n(C)c1=O 13758239 WDPQRIOFRMHKRY-UHFFFAOYSA-N 384.352 0.254 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 32916599 IRMHGURAOLMVLH-GFCCVEGCSA-N 391.471 0.853 5 40 GCBB CN1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 35574333 XCMPHRKAKOWIPT-UHFFFAOYSA-N 383.474 0.283 5 40 GCBB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1cccc([N+](=O)[O-])c1 408607421 MCBWMQBQZFFWKV-UHFFFAOYSA-N 381.414 0.764 5 40 GCBB Cn1c(=O)c2cc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)cnc2n(C)c1=O 40079861 NXALNDLYPVOGKF-UHFFFAOYSA-N 395.335 0.669 5 40 GCBB O=C(O)[C@@H]1O[C@H](Oc2ccc3oc4ccccc4c(=O)c3c2)[C@@H](O)[C@H](O)[C@@H]1O 5046097 HJQHEJWZHVHCSL-RDHIYWLCSA-N 388.328 0.217 5 40 GCBB COc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)cc1[N+](=O)[O-] 12994281 CLFINKMSHDCVKZ-UHFFFAOYSA-N 384.414 0.782 5 40 GCBB Cc1nn(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1[N+](=O)[O-] 9376580 BRJHRHIDDJIXEH-SECBINFHSA-N 381.414 0.933 5 40 GCBB CN(C(=O)CNc1cc([N+](=O)[O-])ccc1NCCO)[C@H]1CCS(=O)(=O)C1 58033579 PWUXMKLQFJZFTF-LBPRGKRZSA-N 386.430 0.056 5 40 GCBB CC(C)(C)OC(=O)Cn1cc([N+](=O)[O-])c(=O)n(CC(=O)OC(C)(C)C)c1=O 2049305485 PFGXKNMJMIGVTI-UHFFFAOYSA-N 385.373 0.602 5 40 GCBB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 3503331 NCMHCUAGBFDYGU-MRVPVSSYSA-N 387.370 0.389 5 40 GCBB CC(C)C[C@H]1C(=O)NCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1556258884 DFONZQJDZRAXKG-ZDUSSCGKSA-N 398.441 0.246 5 40 GCBB O=C(O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 3886140 FYVCDSDONYOVAZ-UHFFFAOYSA-N 399.425 0.917 5 40 GCBB C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@H]12 9009863 FQYREZYGRNGXNE-VMLMSMNQSA-N 388.380 0.828 5 40 GCBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801099 DXQOVPBJFJXDFY-GJZGRUSLSA-N 389.412 0.548 5 40 GCBB COC(=O)[C@@H]1N(C(=O)OC)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S1(=O)=O 12417563 ACFLFOHSCOTJNS-SECBINFHSA-N 375.271 0.362 5 40 GCBB O=C(O)[C@@H]1O[C@H](Oc2ccc3oc4ccccc4c(=O)c3c2)[C@H](O)[C@H](O)[C@@H]1O 5046095 HJQHEJWZHVHCSL-MUDKKEKZSA-N 388.328 0.217 5 40 GCBB CC(C)C[C@@H]1C(=O)NCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1556258883 DFONZQJDZRAXKG-CYBMUJFWSA-N 398.441 0.246 5 40 GCBB CS(=O)(=O)NCCCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 32829651 QHENKCLLZQSUTR-UHFFFAOYSA-N 386.430 0.418 5 40 GCBB COCCn1c(=O)c2ccc3c(=O)n(CCOC)c(=O)c4ccc(c1=O)c2c34 4905898 AWLYOBDVSPHVDJ-UHFFFAOYSA-N 382.372 0.358 5 40 GCBB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 10339397 XKVLEJVDDXQQJK-ZIAGYGMSSA-N 376.369 0.633 5 40 GCBB COc1ccc(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)cc1 32826110 RCMYBHJTUWFZTK-UHFFFAOYSA-N 394.413 0.487 5 40 GCBB CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc([N+](=O)[O-])cc1 1314579 ANPPPPYNAUALDW-UHFFFAOYSA-N 387.400 0.353 5 40 GCBB CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O 9123201 GPRADSQSOITUAC-RDTXWAMCSA-N 388.380 0.829 5 40 GCBB CC[N+](C)(C)CCN1C(=O)[C@H]2C=C[C@H]1[C@@H]1C=C[C@H]2N(CC[N+](C)(C)CC)C1=O 101042060 KYNXZIKQVNTKPY-LWYYNNOASA-N 390.572 0.959 5 40 GCBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(COC(C)=O)C=C[C@H]2O1 409282778 NWSNKEVEGXUNQO-ADAWSYLGSA-N 388.332 0.980 5 40 GCBB CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 32824088 GVUJXRGUKABLCC-NSHDSACASA-N 377.444 0.687 5 40 GCBB COc1ccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 9612820 VCNYSSOSKQWBRP-LLVKDONJSA-N 386.382 0.406 5 40 GCBB O=C(O)CCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]c1=O 12347424 FVGKABKQZXPXPA-UHFFFAOYSA-N 379.354 0.821 5 40 GCBB CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N(C)C(=S)N=C3O)[C@@H]2C1 15023540 GFSNSRSUEWGIEA-GUYCJALGSA-N 389.437 0.971 5 40 GCBB Cc1nn(CC(=O)NCCNC(=O)COc2ccccc2)c(C)c1[N+](=O)[O-] 25995698 FJLDDZDEHZEQKN-UHFFFAOYSA-N 375.385 0.720 5 40 GCBB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CCO)CC1 19830956 ZRAJYMGQAUPGEI-UHFFFAOYSA-N 386.474 0.740 5 40 GCBB C[C@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 29188002 HWAMFGSOBCXSBZ-BETUJISGSA-N 385.442 0.693 5 40 GCBB CC(=O)N[C@H]1[C@@H](OCc2ccc([N+](=O)[O-])cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 4026753 OOFFXOCMFXFNIN-NRKLIOEPSA-N 396.396 0.853 5 40 GCBB O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@H]1ON=C(c2cccc([N+](=O)[O-])c2)[C@@H]31 247442746 XSLCLZSJLGCMKI-IWTHSFQISA-N 385.332 0.649 5 40 GCBB Cc1cc(C)n2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc2n1 48311961 YNINFSDMMIOXKY-UHFFFAOYSA-N 396.411 0.936 5 40 GCBB CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)c1cccc([N+](=O)[O-])c1 10450105 SUHOKHRJUBEEPS-UHFFFAOYSA-N 384.458 0.963 5 40 GCBB Cn1nnc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 57316571 ZDWZDGRSNJBNEZ-UHFFFAOYSA-N 392.401 0.082 5 40 GCBB CC1CCN(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 6591518 WIPVGIIFNUJZTA-UHFFFAOYSA-N 389.364 0.993 5 40 GCBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12805831 FUUQAPOMLLPWQO-SNVBAGLBSA-N 398.372 0.838 5 40 GCBB CCOc1cc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc([N+](=O)[O-])c1O 20851351 MJNQRAIWTDBSEU-VIFPVBQESA-N 390.352 0.571 5 40 GCBB O=C(O)[C@@H]1O[C@@H](Oc2ccc3oc4ccccc4c(=O)c3c2)[C@H](O)[C@H](O)[C@@H]1O 5046096 HJQHEJWZHVHCSL-FSNPWBFUSA-N 388.328 0.217 5 40 GCBB 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O=C1c2cccc([N+](=O)[O-])c2OCC1(CN1CCOCC1)CN1CCOCC1 35185321 KHOSELLHFRYHSA-UHFFFAOYSA-N 391.424 0.821 5 40 GCBB CCn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12 2747867 JAOXGJYNHLAUKH-ISVAXAHUSA-N 381.370 0.183 5 40 GCBB O=C(COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1 5824900 NAJWQVNIZQLRIU-AWEZNQCLSA-N 379.369 0.553 5 40 GCBB O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCCO2)CC1 3331547 HPODFFQNZOWMFZ-AWEZNQCLSA-N 378.341 0.966 5 40 GCBB CCN1CCN([C@H](C)CNc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 48274533 ZRYUIWPBUNXDAE-CYBMUJFWSA-N 385.490 0.941 5 40 GCBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N1CCCCC1 8644095 JAQLFSIHYOPODZ-UHFFFAOYSA-N 375.337 0.747 5 40 GCBB O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 5745926 BKDZGPMCAWWFFS-VIFPVBQESA-N 376.774 0.708 5 40 GCBB C[C@@H](C(=O)O[C@H](C)C(=O)NC1CC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 12739760 RTXREBAOXLVXRE-DTWKUNHWSA-N 375.337 0.790 5 40 GCBB 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C[C@@]1(NC(=S)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS(=O)(=O)C1 9439462 CXCLMCCMXIEZRG-GFCCVEGCSA-N 389.415 0.871 5 40 GCBB Cc1cc(C(=O)NCC(=O)O[C@@H](C)C(=O)N2CCOCC2)ccc1[N+](=O)[O-] 11626608 UHKKZSOYGISVAU-LBPRGKRZSA-N 379.369 0.424 5 40 GCBB CCCS(=O)(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 12411382 UWKUQWQIEGGGGB-UHFFFAOYSA-N 397.457 0.647 5 40 GCBB C[C@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 29188129 NYFSDLXSHJWIDJ-STQMWFEESA-N 385.442 0.693 5 40 GCBB O=C(OCc1ccc([N+](=O)[O-])cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12757138 WEWKURFCJKRFCM-ZDUSSCGKSA-N 395.393 0.804 5 40 GCBB Cc1ccc2nc3c(cc(C(N)=O)c(=N)n3CCCN3CCOCC3)c(=O)n2c1 4552988 JOZJATUMPCDKFF-UHFFFAOYSA-N 396.451 0.258 5 40 GCBB CS(=O)(=O)NCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 12527205 MNDZWOAPVQKBAK-UHFFFAOYSA-N 391.349 0.849 5 40 GCBB O=C1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CCN1CCO 72307590 GAAYYBGBUFYMHY-UHFFFAOYSA-N 398.441 0.020 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)C(N)=O)CC1 17816242 NTMSNQUJXVNAFD-LLVKDONJSA-N 398.441 0.294 5 40 GCBB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1OC 40114921 RVDFFWAYWIHBMA-CHWSQXEVSA-N 399.425 0.202 5 40 GCBB COCCn1ccc2nc3ccn(-c4nc(COC)n[nH]4)c(=O)c3cc2c1=O 40398982 SZEAMPXFDBVSSE-UHFFFAOYSA-N 382.380 0.612 5 40 GCBB CCc1cc([N+](=O)[O-])c(NC[C@@H](O)[C@H](O)[C@H](O)CO)cc1Br 4760365 YGJQWVWPZJXXGY-UPJWGTAASA-N 379.207 0.407 5 40 GCBB CC(=O)N[C@@H]1[C@@H](OCc2ccc([N+](=O)[O-])cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O 4026754 OOFFXOCMFXFNIN-XAJHFOFHSA-N 396.396 0.853 5 40 GCBB CCCC[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@H](C)C(=O)O[C@H](CC1)[C@H]32 5208222 YMDLOZXFFUNXCV-IYIXZCRFSA-N 382.477 0.922 5 40 GCBB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 24656656 NURVNROZMTXRCC-UHFFFAOYSA-N 380.382 0.646 5 40 GCBB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1cccc([N+](=O)[O-])c1 14162934 KCZZKARFNGFYKR-KGLIPLIRSA-N 376.369 0.633 5 40 GCBB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 298112154 WSJUZIBFTJLDOM-BNBDDXAPSA-N 399.359 0.884 5 40 GCBB CNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cn1C 31668359 KWBVDCTVYUNHBU-UHFFFAOYSA-N 397.413 0.498 5 40 GCBB O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 13633074 QLMAIPUJHOACBS-UHFFFAOYSA-N 390.849 0.947 5 40 GCBB CCn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@@H]12 2747869 JAOXGJYNHLAUKH-SDBXPKJASA-N 381.370 0.183 5 40 GCBB COC(=O)c1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc([N+](=O)[O-])c1 24777446 ZFWRQZXURLJRIM-UHFFFAOYSA-N 385.398 0.489 5 40 GCBB C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 12809984 YKCDABSKBCLRQT-GWCFXTLKSA-N 385.398 0.889 5 40 GCBB CN(C(=O)CNc1cc([N+](=O)[O-])ccc1NCCO)[C@@H]1CCS(=O)(=O)C1 58033568 PWUXMKLQFJZFTF-GFCCVEGCSA-N 386.430 0.056 5 40 GCBB N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1CCO 100895242 JVHSQVJMKHPCOE-GFCCVEGCSA-N 383.408 0.030 5 40 GCBB CCCCn1nnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 408629323 XAFLZUAKXRFGKJ-UHFFFAOYSA-N 375.389 1.470 5 40 GCBB O=[N+]([O-])c1c(N2CCOCC2)cc(N2CCN(CCO)CC2)c2nonc12 20079567 BRTRJGKTDQCQHH-UHFFFAOYSA-N 378.389 0.082 5 40 GCBB Cc1cc(C(=O)NCC(=O)OCC(=O)NC[C@H]2CCCO2)ccc1[N+](=O)[O-] 5943755 MNSAQJWFGCITEM-CYBMUJFWSA-N 379.369 0.471 5 40 GCBB O=C(O)[C@H]1CCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 3886165 VLXKCNCMNNMBSV-CYBMUJFWSA-N 385.398 0.669 5 40 GCBB in-vitro NC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 12537576 LKMOZOYGAVSTRR-UHFFFAOYSA-N 383.430 0.156 5 40 GCBB O=C(O)CCN1C[C@@]2([N+](=O)[O-])CC=C(C(=O)N3CCCCC3)[C@@]([N+](=O)[O-])(C1)C2 15022461 GCMXVCXJKLGGOA-SJORKVTESA-N 396.400 0.540 5 40 GCBB CCCCn1c(=O)n(C)c(=O)c2nc3c(cc21)c(=O)n(C)c(=O)n3CCCC 6430099 KIQSAZRVHCPYEC-UHFFFAOYSA-N 387.440 0.709 5 40 GCBB NC(=O)CNC(=O)c1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 40119347 DCTIHWNKEPBSNS-UHFFFAOYSA-N 386.364 0.505 5 40 GCBB CC(=O)N[C@H]1[C@@H](OCc2ccc([N+](=O)[O-])cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O 4026755 OOFFXOCMFXFNIN-MTSZKFMLSA-N 396.396 0.853 5 40 GCBB O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCC(=O)N1CCCC1=O 20921418 GDXKEWGQNHJRLC-UHFFFAOYSA-N 383.744 0.670 5 40 GCBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)N1CCOCC1 14184333 JAWABBDKNQFOJW-VXGBXAGGSA-N 379.369 0.504 5 40 GCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1(N2CCOCC2)CCCCC1 31672266 LOAXTXCMRWOJGM-UHFFFAOYSA-N 378.429 0.908 5 40 GCBB CCn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@H]12 2747866 JAOXGJYNHLAUKH-AMIZOPFISA-N 381.370 0.183 5 40 GCBB Cn1nnnc1Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9119582 XOBQAWNLJHKEES-UHFFFAOYSA-N 386.415 0.290 5 40 GCBB CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCSC[C@@H]32)C1=O 36585420 VYSZYUXUYGNXCZ-MLGOLLRUSA-N 376.394 0.767 5 40 GCBB COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCO)c1=N 100831637 DDMYPKKUSGCQKB-UHFFFAOYSA-N 385.424 0.277 5 40 GCBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1[N+](=O)[O-] 5747272 VHUFWCNDWIWTFT-UHFFFAOYSA-N 382.442 0.789 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O 10335692 QECQFVRNBFQZEZ-UHFFFAOYSA-N 398.441 0.393 5 40 GCBB N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1CCO 100870205 IUDOQACMQFJJED-UHFFFAOYSA-N 396.428 0.954 5 40 GCBB CNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n(C)c1 29697215 REJXGXBKXSIJJP-CQSZACIVSA-N 382.398 0.305 5 40 GCBB Cc1nn(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1[N+](=O)[O-] 9376579 BRJHRHIDDJIXEH-VIFPVBQESA-N 381.414 0.933 5 40 GCBB O=C(O)c1ccccc1S(=O)(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 16449380 DXNHHQDBGAXSOE-DZGCQCFKSA-N 396.377 0.666 5 40 GCBB CCOC(=O)c1[nH]c(C)c(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1C 40050088 CVWNOEZXPSTARY-UHFFFAOYSA-N 390.352 0.860 5 40 GCBB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCO[C@@H](c3ncon3)C1)OCCO2 97084783 KUDQKIRBFUJFQG-GFCCVEGCSA-N 398.353 0.511 5 40 GCBB CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCS(=O)(=O)C1 21840021 OMNLMVWEONIDLA-WDEREUQCSA-N 387.414 0.514 5 40 GCBB CN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCSC[C@H]32)C(=O)N=C1O 230041581 VYSZYUXUYGNXCZ-LRDDRELGSA-N 376.394 0.972 5 40 GCBB O=C(O)[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 3886166 VLXKCNCMNNMBSV-ZDUSSCGKSA-N 385.398 0.669 5 40 GCBB in-vitro Cc1nn(CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)c1[N+](=O)[O-] 9824196 VEERDZZCCQHFHC-QGZVFWFLSA-N 386.368 0.907 5 40 GCBB O=c1c2cc3c(=O)n(CCCN4CCOCC4)ccc3nc2ccn1CCO 38829215 YHRFJDZPSFUEPP-UHFFFAOYSA-N 384.436 0.426 5 40 GCBB O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1cccc([N+](=O)[O-])c1 96936887 SBHLHXDDOHUHGZ-UHFFFAOYSA-N 391.428 0.010 5 40 GCBB C[C@H]1CN(c2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 20391854 PDCXSFOPCAPIOP-RYUDHWBXSA-N 381.437 0.325 5 40 GCBB C[C@H](OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 12554572 SRQVZJJQVCAHDR-CMPLNLGQSA-N 399.425 0.509 5 40 GCBB Cn1cnc([N+](=O)[O-])c1NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 29852977 ITLCKLLRXJMCIY-UHFFFAOYSA-N 381.414 0.961 5 40 GCBB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 6602822 ORJQVQQOPCBUFK-CYBMUJFWSA-N 383.426 0.669 5 40 GCBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccco1 8643609 LRRJQVWMFHWPGK-UHFFFAOYSA-N 387.304 0.643 5 40 GCBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)N1CCNC1=O 35269420 ZSPITNUAVOJQSE-UHFFFAOYSA-N 384.396 0.817 5 40 GCBB COC(=O)Cn1nns/c1=N\c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100369783 GOBUDNJEGMUGHA-KHPPLWFESA-N 385.274 0.470 5 40 GCBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC(=O)Nc1ccc(F)c(F)c1F 6120339 HKTUUKHLYJSKBF-UHFFFAOYSA-N 384.270 0.929 5 40 GCBB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 24978432 HYLNXEAUGIBHDJ-UHFFFAOYSA-N 380.382 0.646 5 40 GCBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 48332387 AFEQVMRNVHJSDC-CQSZACIVSA-N 383.426 0.915 5 40 GCBB 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O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 12624609 LVCCHWPIJJUOSD-CYBMUJFWSA-N 381.410 0.314 5 40 GCBB COc1cc([C@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc([N+](=O)[O-])c1O 20851451 JRLJQUOEOXGODF-MRVPVSSYSA-N 376.325 0.181 5 40 GCBB COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCO)c1=N 100894357 MEXDKTXYALXJAQ-UHFFFAOYSA-N 385.424 0.196 5 40 GCBB CC1(C)NC(=O)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 6201897 NZDVPFHDEYJHCX-UHFFFAOYSA-N 375.385 0.574 5 40 GCBB O=C(O)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1N1CCOCC1 670417723 HAGKDKDPAQFHKF-UHFFFAOYSA-N 382.329 0.874 5 40 GCBB CS(=O)(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 10044490 VQXPHRQLZLTDDC-UHFFFAOYSA-N 377.444 0.516 5 40 GCBB CC[N+](C)(C)CCN1C(=O)[C@@H]2C=C[C@H]1[C@@H]1C=C[C@@H]2N(CC[N+](C)(C)CC)C1=O 101042062 KYNXZIKQVNTKPY-YRPNKDGESA-N 390.572 0.959 5 40 GCBB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 3449691 FXOFSOAAKFNLEZ-PSKZRQQASA-N 395.437 0.760 5 40 GCBB COc1ccnc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 15113079 AYBLPLJYCUFYKK-UHFFFAOYSA-N 379.398 0.904 5 40 GCBB Cc1nn(CCC(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)O)cc1[N+](=O)[O-] 17081248 IPYDNWNQABVDRB-WZRBSPASSA-N 397.413 0.122 5 40 GCBB CN(C1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1)S(C)(=O)=O 48332704 ZKXPKOBPBSALOS-UHFFFAOYSA-N 381.414 0.463 5 40 GCBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C1=O 409304816 LDNYERNQVMVXSU-ZUMXRPEOSA-N 388.332 0.789 5 40 GCBB CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 24118899 CFVQRRDMVZJSSO-UHFFFAOYSA-N 385.398 0.748 5 40 GCBB C[C@H](C(=O)NC1CCN(C)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220424706 JOSXQMUHFXTCCE-GFCCVEGCSA-N 384.458 0.960 5 40 GCBB CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 9357101 VXNOYVGFJCMXLE-OAHLLOKOSA-N 375.297 0.903 5 40 GCBB Cc1ccc(S(=O)(=O)NC2CCN(CC(=O)NC3CC3)CC2)cc1[N+](=O)[O-] 32934604 ZNQKJEZJEAVWSO-UHFFFAOYSA-N 396.469 0.925 5 40 GCBB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]34)[C@H]2C1=O 103520272 XSLCLZSJLGCMKI-BNFIUEDNSA-N 385.332 0.649 5 40 GCBB N=c1nc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)nc(=N)[nH]c2O)c(O)[nH]1 408927387 WIRKVGOJTRPNFX-UHFFFAOYSA-N 387.312 0.003 5 40 GCBB CN1CCN(C(=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc2=O)CC1 19589694 RVQNTDJBCACDDS-KRWDZBQOSA-N 384.392 0.955 5 40 GCBB CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCS(=O)(=O)C1 21840016 OMNLMVWEONIDLA-GHMZBOCLSA-N 387.414 0.514 5 40 GCBB CCOC(=O)C1=C(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)NC(=O)NC1 40086167 HKEXDQNPPVETKE-UHFFFAOYSA-N 390.400 0.242 5 40 GCBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801091 DXQOVPBJFJXDFY-LSDHHAIUSA-N 389.412 0.548 5 40 GCBB O=c1[nH]nc(CCNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])[nH]1 72307656 DMSWVGMJGCJUGO-UHFFFAOYSA-N 381.292 0.954 5 40 GCBB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 12849023 UDMYKAOBTUSFSG-UHFFFAOYSA-N 377.444 0.687 5 40 GCBB Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@@H]2CN3CCN2CC3)c1 593106316 PEPGXKCJCVTYHU-QGZVFWFLSA-N 384.440 0.878 5 40 GCBB Cn1c(=O)c2c(nc(Cl)n2CC(=O)c2cccc([N+](=O)[O-])c2)n(C)c1=O 1072263 LOXFSYFWBLKBPD-UHFFFAOYSA-N 377.744 0.878 5 40 GCBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1 34800060 RPUWNQFULOZISA-INIZCTEOSA-N 392.412 0.865 5 40 GCBB C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CCN1S(C)(=O)=O 4687281 NEGZAXIAGRBQFG-CYBMUJFWSA-N 384.458 0.902 5 40 GCBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N2C(=S)NC(=O)C(C)(C)N12 14607387 AFPNRPWTMLFCSM-LLVKDONJSA-N 391.409 0.853 5 40 GCBB CN(CCN1CCOC1=O)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 89346192 NKTVHXGZPXEZFT-UHFFFAOYSA-N 378.341 0.231 5 40 GCBB Cn1c(=O)c2[nH]c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2n(C)c1=O 6017109 GYPQPTDHTHHINI-UHFFFAOYSA-N 378.326 0.928 5 40 GCBB Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O 25033466 XTXIHFIQSSRKJF-UHFFFAOYSA-N 394.409 0.954 5 40 GCBB Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cc1[N+](=O)[O-] 3360929 YBGJWFBHFKEVFR-UHFFFAOYSA-N 381.366 0.872 5 40 GCBB CCNc1ccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 9612802 CAKOKANUKDZAMO-LLVKDONJSA-N 385.398 0.487 5 40 GCBB O=c1cc2ncc(-c3n[nH]c(-c4cnc5cc(=O)[nH]n5c4)c3[N+](=O)[O-])cn2[nH]1 3178359 NEWRMDTXJJZMGY-UHFFFAOYSA-N 379.296 0.324 5 40 GCBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@H]1CCS(=O)(=O)C1 9672409 BOWXAKKNRXMCGK-NSHDSACASA-N 389.455 0.978 5 40 GCBB Cc1nn(CCC(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)cc1[N+](=O)[O-] 102627973 IPYDNWNQABVDRB-NTZNESFSSA-N 397.413 0.122 5 40 GCBB COC(=O)[C@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 95453156 QNGBYUKUWNAPMW-ZIAGYGMSSA-N 379.369 0.158 5 40 GCBB O=C(COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1cccc([N+](=O)[O-])c1 206455103 WSJUZIBFTJLDOM-BHWMQLMCSA-N 399.359 0.884 5 40 GCBB COC(=O)COc1c(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cccc1OC 30840542 VALGBMAMOYDYGE-SREVYHEPSA-N 377.309 0.702 5 40 GCBB COC(=O)c1ccc(OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c([N+](=O)[O-])c1 24938127 WVVBYLMCQHMFFZ-HNNXBMFYSA-N 386.382 0.454 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H](O)CN1CCOCC1 79051192 OYYUGFLJOACYLD-MRXNPFEDSA-N 380.445 0.857 5 40 GCBB Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCNC(=O)N(C)C)ccc1[N+](=O)[O-] 95458498 XOVNJELFFFPVNX-HNNXBMFYSA-N 391.428 0.895 5 40 GCBB COc1ccc(Cc2nn3c(=O)c4ccccc4nc3n(N)c2=O)cc1OC 707790 YOCIZZTUQRMCNC-UHFFFAOYSA-N 379.376 0.726 5 40 GCBB NC(=O)c1cccc(CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 58343259 SEOHDSUKWWZMQB-UHFFFAOYSA-N 398.375 0.778 5 40 GCBB N=c1nc(O)c(C(c2cccc([N+](=O)[O-])c2)c2c(O)nc(=N)[nH]c2O)c(O)[nH]1 408920051 GOQGOGLGJVOEFK-UHFFFAOYSA-N 387.312 0.003 5 40 GCBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 10339396 XKVLEJVDDXQQJK-KBPBESRZSA-N 376.369 0.633 5 40 GCBB Cn1nnc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 57316623 SSXUWKZMMIIXJW-UHFFFAOYSA-N 376.402 0.845 5 40 GCBB CC(C)COC(=O)N[C@@H](CC(N)=O)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 408998163 AKPBRYFMVJOAMT-ZDUSSCGKSA-N 395.368 0.947 5 40 GCBB CCOC(=O)C1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 5221209 XSNZHYLHAYTESN-UHFFFAOYSA-N 389.364 0.993 5 40 GCBB CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc([N+](=O)[O-])cc2)CC1 5313280 BMERCNYAAJPSPL-UHFFFAOYSA-N 399.411 0.132 5 40 GCBB NS(=O)(=O)c1ccc(NNC(=S)NC(=O)c2ccco2)c([N+](=O)[O-])c1 9139259 BWLLLRRDHRRGIO-UHFFFAOYSA-N 385.383 0.467 5 40 GCBB Cc1ccc(NC(=O)[C@@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1[N+](=O)[O-] 17079897 LNTIAKKVMXWBGM-NSHDSACASA-N 391.409 0.853 5 40 GCBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O 13072538 YRXPKNQAIRFGND-UHFFFAOYSA-N 378.341 0.989 5 40 GCBB CS(=O)(=O)N1CCC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 83984785 LMLIXOOPINUVFE-UHFFFAOYSA-N 399.425 0.767 5 40 GCBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N2C(=S)NC(=O)C(C)(C)N12 14607386 AFPNRPWTMLFCSM-NSHDSACASA-N 391.409 0.853 5 40 GCBB CCOc1cc([C@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc([N+](=O)[O-])c1O 20851354 MJNQRAIWTDBSEU-SECBINFHSA-N 390.352 0.571 5 40 GCBB Cc1c(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] 58018950 CKDURAGMUKCCFY-UHFFFAOYSA-N 385.446 0.602 5 40 GCBB Cc1cc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)ccc1[N+](=O)[O-] 2630059 WXQRTWQYCVHYOZ-UHFFFAOYSA-N 381.366 0.872 5 40 GCBB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 6602823 ORJQVQQOPCBUFK-ZDUSSCGKSA-N 383.426 0.669 5 40 GCBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@@H]1CCS(=O)(=O)C1 9671294 BOWXAKKNRXMCGK-LLVKDONJSA-N 389.455 0.978 5 40 GCBB CCn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C)CS[C@@H]12 2747868 JAOXGJYNHLAUKH-OQPBUACISA-N 381.370 0.183 5 40 GCBB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccoc2)c([N+](=O)[O-])c1 32927585 FYUIYXQFFDNPEO-UHFFFAOYSA-N 389.411 0.917 5 40 GCBB O=C1N(CN2CCCCC2)c2ccccc2C12OCC(CO)([N+](=O)[O-])CO2 16524577 QZNIOSAKCOSXMH-UHFFFAOYSA-N 377.397 0.684 5 40 GCBB CCN1CCN(c2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])CC1 20357658 XXBKDBDQZFVTIU-UHFFFAOYSA-N 394.480 0.243 5 40 GCBB COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc([N+](=O)[O-])cc1 13749321 GZVWKDKMNLLTTB-UHFFFAOYSA-N 388.384 0.449 5 40 GCBB NC(=O)CSc1nnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)s1 23141540 ZCRAXOQRSARDSP-UHFFFAOYSA-N 398.426 0.579 5 40 GCBB C[C@@H](OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCS(=O)(=O)C1 12554574 SRQVZJJQVCAHDR-PWSUYJOCSA-N 399.425 0.509 5 40 GCBB COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(C)C2=O)OC 9434004 CKAYGQSBIJKSLD-QGZVFWFLSA-N 392.368 0.271 5 40 GCBB O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 14235008 ISQVWJFBIHFPKF-UHFFFAOYSA-N 392.393 0.430 5 40 GCBB Cn1c(N)c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(=O)n(C)c1=O 3232965 DBIIYFSRUOHELI-UHFFFAOYSA-N 396.743 0.268 5 40 GCBB Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NC[C@H]2CN3CCN2CC3)c1 593106315 PEPGXKCJCVTYHU-KRWDZBQOSA-N 384.440 0.878 5 40 GCBB CCCC[N+]12CC=C3COC(=O)[C@@](C)(O)[C@@](C)(O)[C@H](C)C(=O)O[C@@H](CC1)[C@H]32 5208223 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375.428 0.422 5 40 GCBB C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 13522965 APALOONUKPGKGU-UWVGGRQHSA-N 380.357 0.408 5 40 GCBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC1CCCC1 4313807 IDKVYIQYFYQVMN-UHFFFAOYSA-N 375.337 0.793 5 40 GCBB C[C@@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 12757220 VPGWPSJDNKDDQA-ZWNOBZJWSA-N 385.398 0.889 5 40 GCBB O=C(CNC(=O)c1ccccc1)NCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 1838026 FDNZXFDUCINVLY-UHFFFAOYSA-N 399.359 0.867 5 40 GCBB CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 35269207 XOMAGHRUAMNZEH-UHFFFAOYSA-N 399.473 0.738 5 40 GCBB O=C(C[C@H](NCCOCCO)C(=O)O)Nc1cc([N+](=O)[O-])ccc1Cl 39880752 QWGXIHGVQUXIDJ-LBPRGKRZSA-N 375.765 0.629 5 40 GCBB Cc1nn(CCC(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)cc1[N+](=O)[O-] 2786701 IPYDNWNQABVDRB-NQBHXWOUSA-N 397.413 0.122 5 40 GCBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 24365791 FIAZDJWBLCGETJ-GFCCVEGCSA-N 396.425 0.706 5 40 GCBB CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3nn(C)c(C)c3[N+](=O)[O-])[C@H]2SC1 2752123 LJFMWVWBZINCBL-AMIZOPFISA-N 381.370 0.009 5 40 GCBB CCOC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 32945547 YBGTTZBIKHGKOY-UHFFFAOYSA-N 381.341 0.861 5 40 GCBB Cn1nnc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 17080088 ZEVXSMPYRSEDCA-UHFFFAOYSA-N 392.401 0.082 5 40 GCBB Cc1nn(CCC(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)O)cc1[N+](=O)[O-] 102627979 IPYDNWNQABVDRB-MDZLAQPJSA-N 397.413 0.122 5 40 GCBB Cc1ncc([N+](=O)[O-])n1Cc1nn([C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)c(=S)n1C 12427676 QNDOGKOHBGGRNX-DVYJOKAKSA-N 380.386 0.668 5 40 GCBB COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OS(C)(=O)=O 107571140 YQVZOLYRERMCAG-HWKANZROSA-N 383.338 0.489 5 40 GCBB O=C(O)c1ccccc1S(=O)(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 16449375 DXNHHQDBGAXSOE-HIFRSBDPSA-N 396.377 0.666 5 40 GCBB O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@@H]1C(c2cccc([N+](=O)[O-])c2)=NO[C@H]31 5244717 XSLCLZSJLGCMKI-NADOHHQUSA-N 385.332 0.649 5 40 GCBB O=[N+]([O-])c1ccc(CN([C@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1 575423182 YZCICKQOCMLEOE-GASCZTMLSA-N 388.467 0.771 5 40 GCBB COc1ccc(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1 8778785 KANDMUPLWVXDAC-UHFFFAOYSA-N 381.414 0.848 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 32916598 IRMHGURAOLMVLH-LBPRGKRZSA-N 391.471 0.853 5 40 GCBB COCC[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C(N)=O 95463027 QLAPWEPQGRRJRP-ZDUSSCGKSA-N 386.430 0.682 5 40 GCBB CN(C)CCCNC(=O)c1cc(C(=O)NCCCN(C)C)cc([N+](=O)[O-])c1 4892051 PCGOBXUHCHGPED-UHFFFAOYSA-N 379.461 0.958 5 40 GCBB COC(=O)c1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc([N+](=O)[O-])c1 36392302 CMQWYJJZOWPTHI-UHFFFAOYSA-N 385.398 0.535 5 40 GCBB COC(=O)C1(NC(=O)COc2ccccc2[N+](=O)[O-])CCS(=O)(=O)CC1 95410805 LQCBMQOFIWHSSU-UHFFFAOYSA-N 386.382 0.210 5 40 GCBB Cc1nc(O)c(C(c2cccc([N+](=O)[O-])c2)c2c(O)nc(C)[nH]c2=O)c(=O)[nH]1 13577244 AYWNIPKTASAERI-UHFFFAOYSA-N 385.336 0.970 5 40 GCBB C[C@]1(NC(=S)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS(=O)(=O)C1 9439459 CXCLMCCMXIEZRG-LBPRGKRZSA-N 389.415 0.871 5 40 GCBB CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 32824090 GVUJXRGUKABLCC-LLVKDONJSA-N 377.444 0.687 5 40 GCBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 40083079 CMOFYPDPSJEWKU-ZDUSSCGKSA-N 377.401 0.600 5 40 GCBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C3OCCO3)C=C[C@H]2O1 409304814 LDNYERNQVMVXSU-UHQDVWGKSA-N 388.332 0.789 5 40 GCBB COc1ccc(S(=O)(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 5675910 WBSOTTDFWAPIIR-HZPDHXFCSA-N 382.394 0.976 5 40 GCBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 48332386 AFEQVMRNVHJSDC-AWEZNQCLSA-N 383.426 0.915 5 40 GCBB O=[N+]([O-])c1ccc(S(=O)(=O)C2=CN3CCS(=O)(=O)N=C3S2)cc1 9254256 OGOBQAJRJBEMFS-UHFFFAOYSA-N 375.409 0.916 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCOCC1 32876248 SAQYLANMPVJTCH-AWEZNQCLSA-N 383.426 0.915 5 40 GCBB CCCCn1c(N)c(N(CCOC)C(=O)c2ccc([N+](=O)[O-])o2)c(=O)[nH]c1=O 32988048 IFBSCTJPRAHYJW-UHFFFAOYSA-N 395.372 0.713 5 40 GCBB CCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9049328 DUBJDKHJMODNAS-UHFFFAOYSA-N 387.414 0.521 5 40 GCBB NS(=O)(=O)c1ccc(Nc2cnn(CC(=O)NC3CC3)c2)c([N+](=O)[O-])c1 52487504 VITYFRIHVPHUDD-UHFFFAOYSA-N 380.386 0.461 5 40 GCBB COc1ccc(S(=O)(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 5675906 WBSOTTDFWAPIIR-JKSUJKDBSA-N 382.394 0.976 5 40 GCBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]2[C@H](C)O1 9009864 FQYREZYGRNGXNE-XZWPALENSA-N 388.380 0.828 5 40 GCBB Cn1c(=O)c2c(ncn2CC(=O)Nc2cc([N+](=O)[O-])ccc2F)n(C)c1=O 2202966 AWJIRSSXQNFKLP-UHFFFAOYSA-N 376.304 0.120 5 40 GCBB O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 40115793 NMSDIKJEMVKDCM-KOLCDFICSA-N 397.438 0.189 5 40 GCBB CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 9662978 MPEXSSVONROABM-UHFFFAOYSA-N 398.441 0.284 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N2C(=S)NC(=O)C(C)(C)N12 10153651 YKHAINYTURCCQI-LLVKDONJSA-N 391.409 0.853 5 40 GCBB O=C(O)CNC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12 2122913 UBCCJOHRTCSJEB-UHFFFAOYSA-N 384.344 0.642 5 40 GCBB biogenic CC(C)NC(=O)CN1CCCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 26706235 KYBQGSUSPWDLQZ-UHFFFAOYSA-N 388.428 0.639 5 40 GCBB O=C(NCCCN1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 15934678 OSFXUDRUKNNMEO-UHFFFAOYSA-N 378.429 0.884 5 40 GCBB O=C(OCC(=O)N1CCNC1=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24962311 IBMAEQVJVLMMAB-UHFFFAOYSA-N 376.369 0.906 5 40 GCBB COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCO)c1=N 100630557 NFIURJJXVSUBBI-UHFFFAOYSA-N 399.451 0.586 5 40 GCBB O=C(Nc1nc[nH]n1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9698578 DUPLIRXATRWFQM-UHFFFAOYSA-N 380.386 0.752 5 40 GCBB CCN(CC)S(=O)(=O)N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 12634601 CHVXGUDXSLZFTR-UHFFFAOYSA-N 385.446 0.402 5 40 GCBB CCOc1ccc(NC(=O)C[C@@H](NCCOCCO)C(=O)O)c([N+](=O)[O-])c1 10434215 VUSGBSNVJVFKLE-CYBMUJFWSA-N 385.373 0.374 5 40 GCBB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 14162928 KCZZKARFNGFYKR-ZIAGYGMSSA-N 376.369 0.633 5 40 GCBB CCN(C(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)[C@@H]1CCS(=O)(=O)C1 12533548 DWHSOQVVRDUICE-GFCCVEGCSA-N 394.409 0.340 5 40 GCBB COC(=O)c1cc2c(=O)n3ccccc3nc2n(CCN2CCOCC2)c1=N 788660 CTIJTKUJGTVFQY-UHFFFAOYSA-N 383.408 0.247 5 40 GCBB CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 10339395 XKVLEJVDDXQQJK-KGLIPLIRSA-N 376.369 0.633 5 40 GCBB COC(=O)c1ccc(OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c([N+](=O)[O-])c1 24938130 WVVBYLMCQHMFFZ-OAHLLOKOSA-N 386.382 0.454 5 40 GCBB CN1CCO[C@@H](CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 58151621 JBERFTLVFDSHHW-ZDUSSCGKSA-N 378.385 0.730 5 40 GCBB CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N(C)C1=S 4624013 DQQHMYSPZFXUAD-ZDUSSCGKSA-N 390.421 0.558 5 40 GCBB COCC(=O)NC1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 4909031 XKEHIJDFRYPCOI-UHFFFAOYSA-N 380.401 0.769 5 40 GCBB O=C(C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1)N1CCOCC1 5344428 RTKMINAXKDSNSL-UHFFFAOYSA-N 375.381 0.696 5 40 GCBB CC(CCN([N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1)([N+](=O)[O-])[N+](=O)[O-] 33354447 AIKMTLJZFRLRIU-UHFFFAOYSA-N 393.290 0.437 5 40 GCBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cn2nccc2[N+](=O)[O-])CC1 40149257 BVLMXSKXNYCTNZ-UHFFFAOYSA-N 396.385 0.664 5 40 GCBB NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 95461735 CQWIUZHRWGLTHV-SECBINFHSA-N 383.835 0.690 5 40 GCBB COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCOC)c1=N 100627906 HVBQBYCMDOWYCV-UHFFFAOYSA-N 399.451 0.850 5 40 GCBB NS(=O)(=O)c1cccc(CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1 24658628 IXRQJWCUOPZYEP-UHFFFAOYSA-N 375.366 0.862 5 40 GCBB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H](O)C3)c([N+](=O)[O-])c2)CC1 23709420 FRNQZBULLGWMQP-CYBMUJFWSA-N 384.458 0.492 5 40 GCBB CCN1CCN([C@@H](C)CNc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 48274529 ZRYUIWPBUNXDAE-ZDUSSCGKSA-N 385.490 0.941 5 40 GCBB O=C(O)c1ccccc1S(=O)(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 16449379 DXNHHQDBGAXSOE-UKRRQHHQSA-N 396.377 0.666 5 40 GCBB CC[C@@H]1C(=O)NCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 79017532 BPQUIKHVFHZVCR-CYBMUJFWSA-N 398.441 0.331 5 40 GCBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CCCO1 5944218 MFPAXXRQBAZRCE-NSHDSACASA-N 399.787 0.816 5 40 GCBB COCc1n[nH]c(-n2ccc3nc4ccn(CCN(C)C)c(=O)c4cc3c2=O)n1 40398984 XCPDPTRXFCRZRF-UHFFFAOYSA-N 395.423 0.527 5 40 GCBB COC(=O)[C@H]1N(C(=O)OC)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S1(=O)=O 8854711 ACFLFOHSCOTJNS-VIFPVBQESA-N 375.271 0.362 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CCN(C)CC1)S(C)(=O)=O 113944155 CJZVEYNVBJWUPI-UHFFFAOYSA-N 384.458 0.880 5 40 GCBB Cc1c(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220038154 BTHRFZOXRRURCP-UHFFFAOYSA-N 384.458 0.880 5 40 GCBB CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)N21 9130538 PDEACTVYUNSQKB-SNVBAGLBSA-N 377.382 0.545 5 40 GCBB O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1N1CCCC1 6144714 BWZSVIRRRQDPQS-LLVKDONJSA-N 389.455 0.660 5 40 GCBB C[C@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 29188128 NYFSDLXSHJWIDJ-BETUJISGSA-N 385.442 0.693 5 40 GCBB CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3ccccc3[N+](=O)[O-])N21 14607374 WIYZNXFYGJEGPF-SNVBAGLBSA-N 377.382 0.545 5 40 GCBB CCS(=O)(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 9972062 PRMLGLGCHNACHP-UHFFFAOYSA-N 383.430 0.257 5 40 GCBB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccc([N+](=O)[O-])cc5)[C@H]43)[C@H]2C1=O 12374536 AUBMHCNJNUOXBM-YWBRGDMXSA-N 385.336 0.855 5 40 GCBB CN1CCN(c2ccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])CC1 8723497 JHKQMSSKDAWUJZ-CQSZACIVSA-N 396.469 0.606 5 40 GCBB CN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71979972 JCCQIQDZWLWYAN-ZDUSSCGKSA-N 394.340 0.851 5 40 GCBB C[C@H](OC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 14184332 JAWABBDKNQFOJW-NEPJUHHUSA-N 379.369 0.504 5 40 GCBB O=[N+]([O-])c1ccc(CN([C@@H]2CCS(=O)(=O)C2)[C@@H]2CCS(=O)(=O)C2)cc1 575423188 YZCICKQOCMLEOE-HUUCEWRRSA-N 388.467 0.771 5 40 GCBB CS(=O)(=O)c1ccc(N2CCC(O)(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 96003735 NLSWVJHCHCFWKV-UHFFFAOYSA-N 399.469 0.662 5 40 GCBB O=C(Cn1cnc2nc3n(c2c1=O)CCC3)OCC(=O)c1ccc([N+](=O)[O-])cc1 9906695 QKLBALRDTKFIBS-UHFFFAOYSA-N 397.347 0.874 5 40 GCBB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 3503333 NCMHCUAGBFDYGU-QMMMGPOBSA-N 387.370 0.389 5 40 GCBB O=C(Cn1cnc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12789157 ZQZUKARTDYOXRB-UHFFFAOYSA-N 393.425 0.466 5 40 GCBB CN(CC(=O)N1CCC(O)CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 95461827 AJYGOTWXQFMFRR-UHFFFAOYSA-N 375.378 0.338 5 40 GCBB O=C1CCCCN1COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 95460189 NXOUTBCCUHVBHT-UHFFFAOYSA-N 399.425 0.965 5 40 GCBB COc1ccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 9612821 VCNYSSOSKQWBRP-NSHDSACASA-N 386.382 0.406 5 40 GCBB O=C([C@@H]1CCCO1)N1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 12873485 HAOOQGLQUPZCKE-HNNXBMFYSA-N 376.369 0.783 5 40 GCBB NS(=O)(=O)c1ccc(NC2CCN(CC(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 40122899 VUSILRFLYDTETB-UHFFFAOYSA-N 397.457 0.397 5 40 GCBB O=C(CCn1ccnn1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 24768713 FWCZVOBNUNQVRJ-UHFFFAOYSA-N 394.413 0.110 5 40 GCBB O=C1CCCN1c1ccc(S(=O)(=O)NCCn2ccc([N+](=O)[O-])n2)cc1 36614718 LIQNVKUMJZDLKJ-UHFFFAOYSA-N 379.398 0.897 5 40 GCBB NS(=O)(=O)c1ccc(N2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])c1 12516496 FFRSGHCMUVKCLW-UHFFFAOYSA-N 377.426 0.959 5 40 GCBB CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 5700823 WJGAIRLDGUAKGZ-HNNXBMFYSA-N 383.426 0.826 5 40 GCBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 2661961 WHRMIACERZRUBG-NSHDSACASA-N 386.382 0.450 5 40 GCBB CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)N21 17077160 OQVUAHVJTYPURS-SNVBAGLBSA-N 377.382 0.545 5 40 GCBB COc1ccc(S(=O)(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 5675911 WBSOTTDFWAPIIR-CVEARBPZSA-N 382.394 0.976 5 40 GCBB O=[N+]([O-])c1c(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)ccc2ncccc12 97162101 BDNFRTPLASWQQV-UHFFFAOYSA-N 389.397 0.772 5 40 GCBB O=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 9192161 VWVLVKWFZOSAGH-UHFFFAOYSA-N 390.849 0.947 5 40 GCBB O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1CCN1CCOCC1 40399059 KRJKPQNIMUBMEZ-UHFFFAOYSA-N 392.419 0.756 5 40 GCBB O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCO)CCO)c1ccco1 4976747 SFVDKUSAGVBIJK-QINSGFPZSA-N 389.364 0.772 5 40 GCBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 25315859 SPHDYUKMSBVRTE-AWEZNQCLSA-N 383.426 0.305 5 40 GCBB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1OC 40114918 RVDFFWAYWIHBMA-OLZOCXBDSA-N 399.425 0.202 5 40 GCBB CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 409027495 JDLHGFCMRGLYOG-UHFFFAOYSA-N 384.414 0.085 5 40 GCBB O=C1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C2CCNCC2)N1 574202105 HIPUKONDVYMLAB-WBMJQRKESA-N 382.442 0.520 5 40 GCBB N=c1c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2n1CCO 100871222 CRNNOGBVQKSTKF-UHFFFAOYSA-N 390.403 0.446 5 40 GCBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]2[C@@H](C)O1 102777962 FQYREZYGRNGXNE-ZMIKFJDLSA-N 388.380 0.828 5 40 GCBB CCn1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(C(=O)NCCOC)n1 2730822 JGTMXBRJQWOOQK-UHFFFAOYSA-N 379.377 0.331 5 40 GCBB Cc1ccc2nc3nc(NCCCN4CCOCC4)c(C(N)=O)cc3c(=O)n2c1 20059552 BLKNUYKJPWEGAW-UHFFFAOYSA-N 396.451 0.784 5 40 GCBB CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](C)Cn3cc([N+](=O)[O-])cn3)[C@H]2SC1 35678345 QEHHUFJINZLAJE-MRCLBUSBSA-N 395.397 0.186 5 40 GCBB CN1N=C(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC1=O 16261278 VFWBIJBHFJRNGA-UHFFFAOYSA-N 397.413 0.135 5 40 GCBB CC[C@H]1C(=O)NCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 79017537 BPQUIKHVFHZVCR-ZDUSSCGKSA-N 398.441 0.331 5 40 GCBB NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 95455712 IYHREZKBEMARSX-VIFPVBQESA-N 394.203 0.232 5 40 GCBB O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 12289033 BBWFHLLHICTSSP-QMMMGPOBSA-N 375.384 0.898 5 40 GCBB CCN1CCN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)CC1 22874142 VODQZEVEWDBCCT-UHFFFAOYSA-N 384.458 0.833 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCOCC1 32876246 SAQYLANMPVJTCH-CQSZACIVSA-N 383.426 0.915 5 40 GCBB COC(=O)C1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1 10542027 MFNYYTIFMKPKOY-UHFFFAOYSA-N 399.425 0.772 5 40 GCBB O=C(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 4982717 VZCVELKKTNVTID-UHFFFAOYSA-N 383.426 0.854 5 40 GCBB Cc1ccc(-n2nc(C)cc2NS(=O)(=O)c2cn(C)nc2[N+](=O)[O-])nn1 89652363 FZADYCSJANXRSF-UHFFFAOYSA-N 378.374 0.722 5 40 GCBB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H]3N=NN1c1ccc([N+](=O)[O-])cc1 100123183 AUBMHCNJNUOXBM-GURSMSNASA-N 385.336 0.855 5 40 GCBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 10339398 XKVLEJVDDXQQJK-UONOGXRCSA-N 376.369 0.633 5 40 GCBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCN(CC(=O)N(C)C)CC2)c1C 24688869 FYDCADPNRYAXGB-UHFFFAOYSA-N 398.485 0.996 5 40 GCBB O=C(OCn1nnc2ccccc2c1=O)c1cc([N+](=O)[O-])ccc1NCCO 9715311 RVEGVUBUTPFOCP-UHFFFAOYSA-N 385.336 0.918 5 40 GCBB O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])CC1 40152970 XAVRZFSYJOMLFV-UHFFFAOYSA-N 389.368 0.420 5 40 GCBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(Cl)c1 9192162 ATFNAJOIZHTVHX-UHFFFAOYSA-N 390.849 0.947 5 40 GCBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 13945694 IDAHLZADEZFGLR-LSDHHAIUSA-N 389.412 0.548 5 40 GCBB O=C1CCCN1CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 32916344 DGXXERZQTJMKQH-UHFFFAOYSA-N 382.442 0.524 5 40 GCBB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 9415550 MJOQRVGMUPFDNL-UHFFFAOYSA-N 394.409 0.954 5 40 GCBB COc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccc([N+](=O)[O-])o1)CC2 16850475 ULEIDGLWWZPNOP-UHFFFAOYSA-N 376.325 0.244 5 40 GCBB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])n(C)c1=O 24852354 DYZUBHSZDNBWQN-UHFFFAOYSA-N 376.304 0.120 5 40 GCBB Cc1nn(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)c1[N+](=O)[O-] 9824200 VEERDZZCCQHFHC-KRWDZBQOSA-N 386.368 0.907 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H](O)CN1CCOCC1 79051182 OYYUGFLJOACYLD-INIZCTEOSA-N 380.445 0.857 5 40 GCBB CC(=O)N[C@@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@@H]2O[C@H]1OCc1ccc([N+](=O)[O-])cc1 217371327 OOFFXOCMFXFNIN-BQJWPVKWSA-N 396.396 0.853 5 40 GCBB Cn1cnnc1Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9129052 NZRPLAHKUKNUPV-UHFFFAOYSA-N 385.427 0.895 5 40 GCBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC(F)(F)F 3370694 MFFJOXRENRRCRX-UHFFFAOYSA-N 389.242 0.413 5 40 GCBB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 12846874 NAQOLDSPLFDGRG-UHFFFAOYSA-N 391.471 0.996 5 40 GCBB O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CCN(c2ccc(F)cc2)CC1 27615647 HUDYHWXWMVZFTR-UHFFFAOYSA-N 376.392 0.869 5 40 GCBB C[C@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 12809991 YKCDABSKBCLRQT-GXFFZTMASA-N 385.398 0.889 5 40 GCBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CCCO1 5944220 MFPAXXRQBAZRCE-LLVKDONJSA-N 399.787 0.816 5 40 GCBB CCS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 32436755 DJZCSGDLWOYWNZ-UHFFFAOYSA-N 391.471 0.996 5 40 GCBB Cc1nc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)nc(C)[nH]c2=O)c(=O)[nH]1 16363267 KHJAQXAKIINCJD-UHFFFAOYSA-N 385.336 0.970 5 40 GCBB CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 13541811 UTKPSBYTTSNKKN-DCAQKATOSA-N 393.400 0.067 5 40 GCBB CC1(C)C(=O)NC(=S)N2C(=O)C[C@@H](C(=O)Nc3ccccc3[N+](=O)[O-])N21 14607375 WIYZNXFYGJEGPF-JTQLQIEISA-N 377.382 0.545 5 40 GCBB CC[N+](C)(C)CCN1C(=O)[C@H]2C=C[C@H]1[C@@H]1C=C[C@@H]2N(CC[N+](C)(C)CC)C1=O 101042064 KYNXZIKQVNTKPY-MUGJNUQGSA-N 390.572 0.959 5 40 GCBB Nc1nc(NCCCN2CCOCC2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] 20266164 IJHPLMOPTUXWIX-GFCCVEGCSA-N 381.437 0.692 5 40 GCBB C[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nnn[nH]1 97102719 UUNKVQIMZVNMLS-SNVBAGLBSA-N 397.417 0.344 5 40 GCBB CC(=O)N[C@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@H]1OCc1ccc([N+](=O)[O-])cc1 247945290 OOFFXOCMFXFNIN-JSRQGNBESA-N 396.396 0.853 5 40 GCBB biogenic COCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)c1=N 100938633 RLDKRFBXOWSJII-UHFFFAOYSA-N 385.424 0.460 5 40 GCBB N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1CCCO 100630566 YHAIVNPEHNVLGO-CYBMUJFWSA-N 397.435 0.420 5 40 GCBB CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 8764011 CSHGFEBGRMYYHG-ZETCQYMHSA-N 379.372 0.506 5 40 GCBB O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[C@H]1NC(=S)NC1=O 102969231 PUUCYBHJCJWIQX-SSDOTTSWSA-N 376.272 0.494 5 40 GCBB COCCNC(=O)C1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 24210555 HYHBGRSUENPSOE-UHFFFAOYSA-N 375.385 0.582 5 40 GCBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCCCN1CCOCC1 19288283 XYYLHEVMIUJWSD-UHFFFAOYSA-N 390.238 0.701 5 40 GCBB C[C@]1(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)CCS(=O)(=O)C1 22357946 KKTKPFLPQRHHDE-HNNXBMFYSA-N 386.430 0.104 5 40 GCBB O=c1[nH]/c(=C\c2ccccc2[N+](=O)[O-])c(=O)[nH]/c1=C\c1ccccc1[N+](=O)[O-] 3173355 LSZORODYBADFLT-FOIMCPNXSA-N 380.316 0.537 5 40 GCBB COc1ccnc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 8945655 ZOZSOIKRUZYDIS-UHFFFAOYSA-N 379.398 0.904 5 40 GCBB C[C@H](OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCS(=O)(=O)C1 12554576 SRQVZJJQVCAHDR-JQWIXIFHSA-N 399.425 0.509 5 40 GCBB O=c1[nH]/c(=C/c2ccc([N+](=O)[O-])cc2)c(=O)[nH]/c1=C\c1ccc([N+](=O)[O-])cc1 5513171 LOSNRJCFOKIHOY-CKOAPEAFSA-N 380.316 0.537 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1 10044382 LSMGFJWEOFXUOF-UHFFFAOYSA-N 377.444 0.606 5 40 GCBB COC1(C)CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 95980897 SLAAQMFDKCGLKE-UHFFFAOYSA-N 384.458 0.756 5 40 GCBB CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13026984 SOXOHTLZFCVHDM-RKDXNWHRSA-N 387.370 0.144 5 40 GCBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)N1CCOCC1 11778433 JAWABBDKNQFOJW-NWDGAFQWSA-N 379.369 0.504 5 40 GCBB CC(C)NS(=O)(=O)c1ccc(N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 12537337 HWBPRLOSZHNCMJ-SNVBAGLBSA-N 377.444 0.881 5 40 GCBB NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 95455711 IYHREZKBEMARSX-SECBINFHSA-N 394.203 0.232 5 40 GCBB O=C(O)[C@@H]1O[C@@H](Oc2ccc3oc4ccccc4c(=O)c3c2)[C@@H](O)[C@H](O)[C@@H]1O 5046098 HJQHEJWZHVHCSL-DIKXUDHVSA-N 388.328 0.217 5 40 GCBB COc1ccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cc1[N+](=O)[O-] 9631222 JEDQKLKKMIJBNT-UHFFFAOYSA-N 397.365 0.572 5 40 GCBB NC(=O)c1ccc(SCC(=O)OCC(=O)N2CCCC2=O)c([N+](=O)[O-])c1 13001082 DJPHYQWDFRVEJE-UHFFFAOYSA-N 381.366 0.478 5 40 GCBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCN(C)C)S(C)(=O)=O 13668436 HNGNYYDDMGLFMD-UHFFFAOYSA-N 388.446 0.437 5 40 GCBB O=C1c2cc([N+](=O)[O-])ccc2OCC1(CN1CCOCC1)CN1CCOCC1 35185319 RTSIUNONCXVEPE-UHFFFAOYSA-N 391.424 0.821 5 40 GCBB COC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 95453155 QNGBYUKUWNAPMW-KBPBESRZSA-N 379.369 0.158 5 40 GCBB CN1CCN(c2ccc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])CC1 8723498 JHKQMSSKDAWUJZ-AWEZNQCLSA-N 396.469 0.606 5 40 GCBB C[C@H](C(=O)N1CCCCC1)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 79106159 SIKTYXWMKIQFMC-CYBMUJFWSA-N 390.444 0.612 5 40 GCBB O=C(OCC(=O)N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5826845 UNEHDXLCONOHFK-UHFFFAOYSA-N 379.369 0.447 5 40 GCBB O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCc4ccc([N+](=O)[O-])cc43)cnc2[nH]1 72314037 WGDPDFHRISETAS-UHFFFAOYSA-N 389.349 0.271 5 40 GCBB Cc1nn(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1[N+](=O)[O-] 13040944 VZMNTGPJYMPCGS-UHFFFAOYSA-N 381.414 0.414 5 40 GCBB CN(Cc1cnn(C)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 24585726 FMBNJCHIBYFXLJ-UHFFFAOYSA-N 395.441 0.986 5 40 GCBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3nnc(N)s3)cc21 408544646 WEPPASPJURLWIS-UHFFFAOYSA-N 395.426 0.950 5 40 GCBB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 29188000 HWAMFGSOBCXSBZ-CHWSQXEVSA-N 385.442 0.693 5 40 GCBB CCN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCS(=O)(=O)C1 10386980 QAZBSJPXHBRBIA-NSHDSACASA-N 395.393 0.226 5 40 GCBB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 408998152 AKPBRYFMVJOAMT-CYBMUJFWSA-N 395.368 0.947 5 40 GCBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12805835 FUUQAPOMLLPWQO-JTQLQIEISA-N 398.372 0.838 5 40 GCBB Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 58005705 UCNCZSAFIMKNMG-UHFFFAOYSA-N 394.413 0.695 5 40 GCBB Cc1nn(CCC(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)cc1[N+](=O)[O-] 17081249 IPYDNWNQABVDRB-DMDPSCGWSA-N 397.413 0.122 5 40 GCBB CNc1nccc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] 553224152 PTGXSMXJXWRDEH-OAHLLOKOSA-N 385.424 1.528 5 40 GCBB CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O 4624347 XDSVYRGPAXVUJP-RDTXWAMCSA-N 388.380 0.831 5 40 GCBB O=c1c2cc3c(=O)n(-c4ncn[nH]4)ccc3nc2ccn1CCN1CCOCC1 36359488 GTXCAEWPNHZZAS-UHFFFAOYSA-N 393.407 0.151 5 40 GCBB Cc1c(OCC(=O)NCC(=O)NCC(=O)O)ccc2c1oc(=O)c1ccccc12 2114009 NNPWFEUIDMLFEA-UHFFFAOYSA-N 398.371 0.950 5 40 GCBB biogenic C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 12757206 VPGWPSJDNKDDQA-MFKMUULPSA-N 385.398 0.889 5 40 GCBB O=C(O)CS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 1794485 DIPYAVYMTNZCIM-UHFFFAOYSA-N 377.274 0.747 5 40 GCBB NC(=O)[C@H]1CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CCN1 57438826 MUANVRHIDHSQBI-CYBMUJFWSA-N 397.457 0.033 5 40 GCBB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H](CO)C3)c([N+](=O)[O-])c2)CC1 15210055 WVPRJPJKOKWFIC-CQSZACIVSA-N 398.485 0.740 5 40 GCBB CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCN2CCOCC2)c1=N 788679 FNZQKXZZMHZBEF-UHFFFAOYSA-N 396.451 0.129 5 40 GCBB CCN(CC)C(=O)c1ccc(Oc2nc([N+](=O)[O-])nn2CC(N)=O)c(OC)c1 22145038 WQFZICYENOLIOG-UHFFFAOYSA-N 392.372 0.955 5 40 GCBB C[C@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 12757226 VPGWPSJDNKDDQA-GXFFZTMASA-N 385.398 0.889 5 40 GCBB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 29188127 NYFSDLXSHJWIDJ-CHWSQXEVSA-N 385.442 0.693 5 40 GCBB CCOC(=O)N1CCC(NC(=O)COC(=O)c2cc([N+](=O)[O-])cn2C)CC1 21839955 XURWOBZCRBTAGR-UHFFFAOYSA-N 382.373 0.827 5 40 GCBB CNS(=O)(=O)c1ccc(NCC(C)(C)N2CCN(C)CC2)c([N+](=O)[O-])c1 25060667 OHGDQNSMBFBYCA-UHFFFAOYSA-N 385.490 0.941 5 40 GCBB NC(=O)c1ccc(N2CCCN(CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 26705509 RXXLRAUYMKWPEX-UHFFFAOYSA-N 375.429 0.828 5 40 GCBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C(=O)NC[C@H]2CCCO2)CC1 40083082 CMOFYPDPSJEWKU-CYBMUJFWSA-N 377.401 0.600 5 40 GCBB CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O 13689853 GPRADSQSOITUAC-KBXCAEBGSA-N 388.380 0.829 5 40 GCBB COc1ccc([N+](=O)[O-])cc1OCC(=O)NCc1ccc(S(N)(=O)=O)cc1 24848230 GIGOKQNVDJIGAI-UHFFFAOYSA-N 395.393 0.946 5 40 GCBB Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1C 95365169 KREJVYNGZFCIOJ-NSHDSACASA-N 377.444 0.653 5 40 GCBB O=C(Cn1cnc2c(cnn2-c2ccc([N+](=O)[O-])cc2)c1=O)N1CCOCC1 32801740 MDACUWVPYQJIMN-UHFFFAOYSA-N 384.352 0.349 5 40 GCBB NS(=O)(=O)c1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)cc1 8440695 FRNBQUPMCWFZNU-UHFFFAOYSA-N 390.175 0.980 5 40 GCBB CC1(C)C(=O)NC(=S)N2C(=O)C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)N21 17077161 OQVUAHVJTYPURS-JTQLQIEISA-N 377.382 0.545 5 40 GCBB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])s1 9129065 OMUUSBIMUOKTPF-VIFPVBQESA-N 375.428 0.422 5 40 GCBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(S(C)(=O)=O)CC1 12972356 FSKAXIZYPNWBRV-UHFFFAOYSA-N 377.444 0.606 5 40 GCBB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)n1ccnc1 40143474 GKKFZOZFGBKONF-ZDUSSCGKSA-N 393.425 0.885 5 40 GCBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(COC(C)=O)O1 409282784 NWSNKEVEGXUNQO-FSZRXZPDSA-N 388.332 0.980 5 40 GCBB O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)Nc1ncc([N+](=O)[O-])s1 9440887 OFCRRJVKFLBNNZ-UHFFFAOYSA-N 389.353 0.887 5 40 GCBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1 40152572 JKXYSNOXWPMFEJ-UHFFFAOYSA-N 394.413 0.028 5 40 GCBB COCC(=O)NCCn1ncc2c(=O)n(Cc3ccc([N+](=O)[O-])cc3)cnc21 12071953 BHUNCAWWYPZKMO-UHFFFAOYSA-N 386.368 0.312 5 40 GCBB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1 2474975 KQPQPZUVEBYFTB-AWEZNQCLSA-N 383.426 0.997 5 40 GCBB COC(=O)CN1C(=O)N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 408549281 RWDVQEFPVIFWOM-LCYFTJDESA-N 390.352 0.497 5 40 GCBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)N1CCOCC1 11778427 JAWABBDKNQFOJW-RYUDHWBXSA-N 379.369 0.504 5 40 GCBB Cn1c(=O)c2c(nc(Cl)n2CC(=O)c2ccc([N+](=O)[O-])cc2)n(C)c1=O 1067102 GFLCMUUHOLOZOK-UHFFFAOYSA-N 377.744 0.878 5 40 GCBB biogenic CNS(=O)(=O)c1cc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)n(C)c1 29697220 REJXGXBKXSIJJP-AWEZNQCLSA-N 382.398 0.305 5 40 GCBB O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 40115107 QZLTVBOEDCOEMC-GXFFZTMASA-N 375.353 0.463 5 40 GCBB C[C@H](OC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CC1 12739758 RTXREBAOXLVXRE-BDAKNGLRSA-N 375.337 0.790 5 40 GCBB CN(C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1)S(C)(=O)=O 48333650 DTMIEFLXMVBBDL-UHFFFAOYSA-N 392.459 0.102 5 40 GCBB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]43)[C@H]2C1=O 103520275 XSLCLZSJLGCMKI-WFAHMMBDSA-N 385.332 0.649 5 40 GCBB Cc1nn(CCC(=O)N[C@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)O)cc1[N+](=O)[O-] 17081247 IPYDNWNQABVDRB-LOWVWBTDSA-N 397.413 0.122 5 40 GCBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 13945695 IDAHLZADEZFGLR-CABCVRRESA-N 389.412 0.548 5 40 GCBB CCN(CC(=O)NCc1cccs1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 27507034 JNPHSGRFJZXYPR-UHFFFAOYSA-N 378.410 0.983 5 40 GCBB CS(=O)(=O)N1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 36813690 MPBHOCNKBXIKOV-UHFFFAOYSA-N 394.413 0.329 5 40 GCBB COc1cccc(C(=O)NCCNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1 26373466 CMTFRJACXFFKMC-UHFFFAOYSA-N 375.385 0.963 5 40 GCBB CC(C)(C)NS(=O)(=O)c1ccc(NCCS(N)(=O)=O)c([N+](=O)[O-])c1 36390976 CMGZZQDHIKONOS-UHFFFAOYSA-N 380.448 0.372 5 40 GCBB CC(C)N1C(=O)CC2(CC[N+](C)(CCOC(=O)CN3CCCC3=O)CC2)C1=O 702164 OHQYTVSOZJXFLM-UHFFFAOYSA-N 394.492 0.546 5 40 GCBB CN1CCN(c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])CC1 4372052 ZWCGPCUUYRFSJY-CYBMUJFWSA-N 382.442 0.264 5 40 GCBB CCOC(=O)C1=C(COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)NC(=O)N[C@@H]1C 9254907 JNNAIUMVSOFKLA-MRVPVSSYSA-N 395.372 0.470 5 40 GCBB CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCS(=O)(=O)C1 21840024 OMNLMVWEONIDLA-QWRGUYRKSA-N 387.414 0.514 5 40 GCBB Cn1c(=O)c2c(SCCO)nc(-c3cccc([N+](=O)[O-])c3)nc2n(C)c1=O 9517608 AKWWCXDMHGKLMW-UHFFFAOYSA-N 389.393 0.687 5 40 GCBB Cc1nn(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c(C)c1[N+](=O)[O-] 9882451 MEUKECQARFWTMR-UHFFFAOYSA-N 378.389 0.390 5 40 GCBB O=c1[nH]nc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(=O)[nH]1 8013286 LFFKGALXFLLIPT-UHFFFAOYSA-N 386.290 0.712 5 40 GCBB Cc1c(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cccc1[N+](=O)[O-] 3287515 BCVGZZSLIOHXQS-UHFFFAOYSA-N 381.366 0.872 5 40 GCBB COc1ccc(OC)c(NC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1 12760058 OHOSCLAQXJYUQQ-UHFFFAOYSA-N 376.325 0.511 5 40 GCBB COc1cc(CCNS(=O)(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 32900059 AIOWAPYBVVLPSX-UHFFFAOYSA-N 375.403 0.321 5 40 GCBB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)no1 408670865 XJKBVMRWYGBEBA-LLVKDONJSA-N 388.336 1.426 5 40 GCBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ncccn2)CC1 30493988 YCBQHJVKSROFFX-UHFFFAOYSA-N 379.398 0.904 5 40 GCBB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@H]43)[C@H]2C1=O 103520270 XSLCLZSJLGCMKI-RUMKGSRSSA-N 385.332 0.649 5 40 GCBB O=C(OCc1ccc([N+](=O)[O-])cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12757131 WEWKURFCJKRFCM-CYBMUJFWSA-N 395.393 0.804 5 40 GCBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@](COC(C)=O)(O3)[C@@H]2C1=O 409282786 NWSNKEVEGXUNQO-LLDVTBCESA-N 388.332 0.980 5 40 GCBB C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 12809979 YKCDABSKBCLRQT-MFKMUULPSA-N 385.398 0.889 5 40 GCBB Cc1ccc(S(=O)(=O)NCCNC(=O)CN2CCCCC2)cc1[N+](=O)[O-] 5342772 NDTYUGYIKBTLAL-UHFFFAOYSA-N 384.458 0.784 5 40 GCBB COc1ccc(S(=O)(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 5675909 WBSOTTDFWAPIIR-HOTGVXAUSA-N 382.394 0.976 5 40 GCBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 25909011 AASWEIMQEKKTEK-ZDUSSCGKSA-N 389.455 0.088 5 40 GCBB CN1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 57110757 FDTOFQZJZALUGI-AWEZNQCLSA-N 387.396 0.308 5 40 GCBB Cc1ccc2nc3c(cc(C(N)=O)c(=N)n3CCCn3ccnc3)c(=O)n2c1 100848198 YPZDBTLKAPSVQX-UHFFFAOYSA-N 377.408 0.823 5 40 GCBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)c1C 13001731 BTYQQTBYKYBRIL-UHFFFAOYSA-N 391.471 0.914 5 40 GCBB Cn1cnc2c1c(=O)n(CCCOc1cc(F)ccc1[N+](=O)[O-])c(=O)n2C 8157095 IQYFQLANKBXATO-UHFFFAOYSA-N 377.332 0.950 5 40 GCBB C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1C(=O)N1CCOCC1 10078665 UPMMOLFEGACKSQ-GFCCVEGCSA-N 384.414 0.699 5 40 GCBB C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]2[C@@H](C)O1 102777965 FQYREZYGRNGXNE-UZBGLRBASA-N 388.380 0.828 5 40 GCBB O=C(O)c1ccccc1S(=O)(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 16449377 DXNHHQDBGAXSOE-ZFWWWQNUSA-N 396.377 0.666 5 40 GCBB COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCN2CCOCC2)c1=N 788662 PCAUITFFVBERLN-UHFFFAOYSA-N 397.435 0.556 5 40 GCBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 13945693 IDAHLZADEZFGLR-HUUCEWRRSA-N 389.412 0.548 5 40 GCBB O=C(CCn1ccnc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 9155993 JWJMLYIQXJXIDN-UHFFFAOYSA-N 393.425 0.715 5 40 GCBB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] 24688575 YXGPCWLVUNYJSD-UHFFFAOYSA-N 384.458 0.688 5 40 GCBB CNc1ccc(S(=O)(=O)N(C)CC(=O)NCC(F)(F)F)cc1[N+](=O)[O-] 5689832 DYISRMYYKGNCMQ-UHFFFAOYSA-N 384.336 0.936 5 40 GCBB CC(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O 9123203 GPRADSQSOITUAC-KDOFPFPSSA-N 388.380 0.829 5 40 GCBB CCOc1ccc(NC(=O)C[C@H](NCCOCCO)C(=O)O)c([N+](=O)[O-])c1 10434214 VUSGBSNVJVFKLE-ZDUSSCGKSA-N 385.373 0.374 5 40 GCBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CCCn2cncn2)CC1 95350403 KVZSIXAIKCAPMP-UHFFFAOYSA-N 380.430 0.583 5 40 GCBB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1OC 40114919 RVDFFWAYWIHBMA-STQMWFEESA-N 399.425 0.202 5 40 GCBB NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2[N+](=O)[O-])cc1 3270139 FBTBIBRBMBPMKF-UHFFFAOYSA-N 379.394 0.980 5 40 GCBB Cc1cc(C(=O)NCC(=O)OCC(=O)NC(=O)NC(C)C)ccc1[N+](=O)[O-] 9963387 WWTAQDGNSOZMEN-UHFFFAOYSA-N 380.357 0.410 5 40 GCBB O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 40115103 QZLTVBOEDCOEMC-GWCFXTLKSA-N 375.353 0.463 5 40 GCBB Cn1nc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2c(N)ncnc21 4235807 RQQDRIOYQPSSOR-UHFFFAOYSA-N 386.328 0.734 5 40 GCBB biogenic