smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 68364291 RGXCASSOBHSGFY-SNVBAGLBSA-N 355.372 -0.030 5 20 FBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])o1 264180322 LWDNELXPMNCJMD-UWVGGRQHSA-N 359.360 -0.585 5 20 FBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 268311365 BWEKFBALMQJKIC-GXSJLCMTSA-N 359.360 -0.085 5 20 FBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CN(C)CCO1 276280423 XNYZGVFTOODRBN-LLVKDONJSA-N 373.387 -0.010 5 20 FBBD CN(C)S(=O)(=O)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 291501046 HSAGXINWGISTBT-UHFFFAOYSA-N 359.360 -0.013 5 20 FBBD Cc1nc(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1C 293594306 CLNCTZIUFRTKDD-UHFFFAOYSA-N 354.348 -0.051 5 20 FBBD CN[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 417343824 QZWFAHFXYFCTER-NSHDSACASA-N 371.419 -0.124 5 20 FBBD CCN(CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 476388639 LMXDAFVFUAKXKI-UHFFFAOYSA-N 352.395 -0.046 5 20 FBBD NC[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 561263688 UWAWXIGTNPMKQC-CYBMUJFWSA-N 362.390 -0.508 5 20 FBBD CC(=O)N1CCN(C(=O)[C@@H](C)Sc2ncc([N+](=O)[O-])c(N)n2)CC1 572016880 ONSFHHICMQOPIT-MRVPVSSYSA-N 354.392 0.138 5 20 FBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2CNC[C@H]2C1 580329554 DJGZSLXACACTLF-RYUDHWBXSA-N 368.415 -0.059 5 20 FBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC(CO)CO 582010181 ILCWYMOBGZSHFO-SECBINFHSA-N 361.376 -0.491 5 20 FBBD C[C@]1(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCNC1 597435577 YEUFKZRQRDRWRO-AWEZNQCLSA-N 371.419 -0.076 5 20 FBBD CNC(=O)[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 598902634 QIEKZCIYVDAIOT-LBPRGKRZSA-N 365.346 -0.310 5 20 FBBD CCNC(=O)CCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609736453 FYMKZEBORDWIJK-UHFFFAOYSA-N 372.403 -0.094 5 20 FBBD CNC(=O)CCNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 609940999 ARPBASXWHSUOBR-UHFFFAOYSA-N 366.330 -0.053 5 20 FBBD CCN(C)S(=O)(=O)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 744239040 NZBAAHHVYDCLRO-UHFFFAOYSA-N 373.391 -0.293 5 20 FBBD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCCn1cnc([N+](=O)[O-])n1 749079460 RYZNLYQLSQBPNG-FSZOTQKASA-N 361.314 -0.463 5 20 FBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NS(=O)(=O)[C@@H]1CCCOC1 782644715 IBZOPRHVUPESDW-GFCCVEGCSA-N 371.371 -0.050 5 20 FBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2nnn(C(C)(C)C)n2)C1 954241827 LRCAEJKTSLBNTK-NXEZZACHSA-N 351.367 -0.624 5 20 FBBD O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cccc(-n2cnnn2)c1 973256417 SXUMIDGUOQWQSL-HBJVGIJOSA-N 371.357 -0.296 5 20 FBBD NC(=O)c1cncc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 978817165 VNAATKCHPKEDCT-GHORINQJSA-N 361.358 -0.530 5 20 FBBD CN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)c1cnn(C)c1N 988531616 KTNBZSVDCMLLMI-DGCLKSJQSA-N 364.406 -0.022 5 20 FBBD O=C(Cc1ncccc1F)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057544874 PCEYZONHEBBDLL-ZWNOBZJWSA-N 354.338 -0.635 5 20 FBBD Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1C 1057546671 CPEAWXNLIMUMOE-TZMCWYRMSA-N 350.375 -0.086 5 20 FBBD O=C(NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc(F)cn1 1080826786 WQPITIVASGJWGQ-DGCLKSJQSA-N 366.349 -0.031 5 20 FBBD COc1ccc(CNC(=O)C(=O)N(C)CCS(C)(=O)=O)cc1[N+](=O)[O-] 1322370764 HORVFHFSNOJCMX-UHFFFAOYSA-N 373.387 -0.277 5 20 FBBD Cn1cc([C@@H]2C[S@](=O)CCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 1324857790 LWMJWRACVZCZCM-KXTXEXGHSA-N 368.419 -0.309 5 20 FBBD O=C(NCCCO[C@@H]1CCOC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 1329462562 QPNZADXEAVERSN-GFCCVEGCSA-N 355.351 -0.781 5 20 FBBD CC(C)N1CC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O 1346317493 XTIHWKLVHGTCPX-LLVKDONJSA-N 352.351 -0.967 5 20 FBBD O=C(N[C@H]1CCS(=O)(=O)C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1352823112 GHFAFTAWESTMRM-LBPRGKRZSA-N 367.383 -0.217 5 20 FBBD O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1592987568 BUUBXXFDVRWDCT-JHJVBQTASA-N 371.357 -0.251 5 20 FBBD O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1NCCN1CCS(=O)(=O)CC1 1593487233 AENWTHPPODDWOG-UHFFFAOYSA-N 373.420 -0.021 5 20 FBBD CN1CCN(c2nc(C(=O)O)c([N+](=O)[O-])c(N3CCN(C)CC3)n2)CC1 1598623017 RDMCYZIMMQREEJ-UHFFFAOYSA-N 365.394 -0.413 5 20 FBBD Cc1cc(C)c(C(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 1756082164 SAOYJGVFTIOAKS-VXGBXAGGSA-N 350.375 -0.010 5 20 FBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCNS(C)(=O)=O 32416991 KYDYZDPOPWBBFR-UHFFFAOYSA-N 367.405 -0.179 5 20 FBBD CCS(=O)(=O)NCCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 50934839 AETIOALLIXWTED-UHFFFAOYSA-N 366.421 -0.017 5 20 FBBD O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(O)C1 268884563 IFOKYZHVAVHYME-ZDUSSCGKSA-N 355.372 -0.049 5 20 FBBD CCS(=O)(=O)NCCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O 272891638 JUUQDFFVBUOYRW-UHFFFAOYSA-N 366.421 -0.017 5 20 FBBD COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])[nH]n1 285993392 PURAXKPGXQYBNW-UHFFFAOYSA-N 354.367 -0.820 5 20 FBBD Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 374838307 KUIZZUKXPUTSBG-LBPRGKRZSA-N 373.435 -0.045 5 20 FBBD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 376437714 WAINVFRMZCPQQF-STQMWFEESA-N 364.406 -0.009 5 20 FBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCOC[C@H](O)C1 452852287 XKGSAQPAKRXPDT-LLVKDONJSA-N 351.315 -0.460 5 20 FBBD CNC(=O)CCN(C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 520549914 GHSGXLZUVPVPCQ-UHFFFAOYSA-N 351.363 -0.012 5 20 FBBD CCn1cc(S(=O)(=O)NCCSCC(=O)OC)c([N+](=O)[O-])n1 533178955 MWDQSPJZASSAES-UHFFFAOYSA-N 352.394 -0.004 5 20 FBBD NS(=O)(=O)c1ccc(NC[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] 596431693 PVURJDUTZDIIQT-ZDUSSCGKSA-N 361.376 -0.178 5 20 FBBD CN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 600268795 GJQYBZQTKZSPLD-JTQLQIEISA-N 370.387 -0.390 5 20 FBBD Cn1nnnc1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 614712649 OCSJZBCKKSMYOM-UHFFFAOYSA-N 351.348 -0.374 5 20 FBBD COc1ccc(C(=O)NCC(=O)OCc2nnn(C)n2)cc1[N+](=O)[O-] 799454156 DEDRATTYLJYVAB-UHFFFAOYSA-N 350.291 -0.400 5 20 FBBD NC(=O)c1ncccc1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 979744171 ASOAPSMIEITNRL-CNVPUSNMSA-N 361.358 -0.530 5 20 FBBD Cn1ncc(Cl)c1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057544580 JBCGJTKPSXYFCM-PSASIEDQSA-N 359.770 -0.711 5 20 FBBD C[C@H](N)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1353056283 WFHWMTRFVOGPOE-NSHDSACASA-N 350.379 -0.508 5 20 FBBD CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 1588850234 VAHRDAIUDLNXCS-MGCOHNPYSA-N 374.361 -0.030 5 20 FBBD CNS(=O)(=O)NC1CCN(c2nc(C(=O)O)ccc2[N+](=O)[O-])CC1 1777098068 PXLQOYLBVRJQAB-UHFFFAOYSA-N 359.364 -0.289 5 20 FBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C=CCN1 1794276819 LLVGPBISGQJTIP-XFMPKHEZSA-N 374.401 -0.043 5 20 FBBD CNc1ccc(S(=O)(=O)NCC(=O)O[C@H]2CCOC2=O)cc1[N+](=O)[O-] 9217917 ZULNKVVJXHLCPU-NSHDSACASA-N 373.343 -0.227 5 20 FBBD CC(C)(C(=O)N1CCC[C@@H](C(=O)NCCN)C1)n1cc([N+](=O)[O-])cn1 236690137 DWAAOSIBRXOYCQ-LLVKDONJSA-N 352.395 -0.160 5 20 FBBD O=C1NC[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CCN2C1=O 268575218 IECMNIGVACIVII-MRVPVSSYSA-N 372.334 -0.935 5 20 FBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc([N+](=O)[O-])c1O 275232144 FKFUXJILFFATKH-SNVBAGLBSA-N 358.328 -0.287 5 20 FBBD Cc1c(C(=O)NC2COCCOC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 326498236 RXBHCGNBMXXSDI-UHFFFAOYSA-N 359.360 -0.304 5 20 FBBD CNS(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 440169012 IOARRBNTDSTTSX-SECBINFHSA-N 374.375 -0.542 5 20 FBBD COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 447926254 AQLRQQQBRKGAEC-LLVKDONJSA-N 371.371 -0.126 5 20 FBBD NC(=O)CN1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1=O 459734212 TXVTUHYYRSVGSX-UHFFFAOYSA-N 360.330 -0.226 5 20 FBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C 478804042 FFZDVQRLZSGGCN-GFCCVEGCSA-N 365.390 -0.096 5 20 FBBD Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 501989141 FXABAWGGQCPFMF-OAHLLOKOSA-N 351.363 -0.082 5 20 FBBD O=C1CO[C@H]2CCN([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]2N1 519751708 SQPRAMZZABKPHP-MJBXVCDLSA-N 374.353 -0.184 5 20 FBBD O=C(O)[C@H]1CC(=O)N(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 548224358 ZWVFWKANEVZMSY-NSHDSACASA-N 371.371 -0.053 5 20 FBBD O=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 567802254 PGYHNMWXEFCCEY-ZETCQYMHSA-N 364.357 -0.242 5 20 FBBD O=C(NC[C@H]1CNCCCO1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 581778125 SEVKXMQZKPHNCT-CYBMUJFWSA-N 362.386 -0.026 5 20 FBBD CC[C@@H](O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 591933759 NZEQOKPAXWMRIK-LLVKDONJSA-N 360.392 -0.057 5 20 FBBD O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 593475757 LBBCSSBCDRFMDK-ONGXEEELSA-N 355.376 -0.306 5 20 FBBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])cn2C)c(C(=O)NCCO)n1C 597560746 YFJYLIDZXWDRFJ-UHFFFAOYSA-N 350.335 -0.050 5 20 FBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])n1C 597633522 WSCJJNUTLFCMLM-NSHDSACASA-N 368.346 -0.546 5 20 FBBD NS(=O)(=O)NC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 599647659 RMJKSUUKBIPKRR-GFCCVEGCSA-N 374.419 -0.408 5 20 FBBD COC(=O)CNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 603849619 LDPCJIVKTUGDBB-UHFFFAOYSA-N 370.387 -0.297 5 20 FBBD CC(=O)N[C@@H](CCC(N)=O)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 608869126 PZQYOSAZAOSUMI-ZDUSSCGKSA-N 351.363 -0.107 5 20 FBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)c2cccc(-c3nn[nH]n3)c2)c1=O 826393037 YXZJUBHFFYOLLR-UHFFFAOYSA-N 369.297 -0.082 5 20 FBBD Cn1c(=O)c2nc(COC(=O)CCC(C)(C)[N+](=O)[O-])[nH]c2n(C)c1=O 837925250 VOJSBKYJWXHPFU-UHFFFAOYSA-N 353.335 -0.161 5 20 FBBD O=C(CN1CCCC1=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 943619111 RWKPTNGHPMQVOO-FDYHWXHSSA-N 352.391 -0.182 5 20 FBBD Cn1ncc(C(=O)N2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1N 952271505 JTOGMYXEPJRORM-ZYHUDNBSSA-N 350.379 -0.364 5 20 FBBD O=C(NCC1CCN(Cc2nnc3n2CCOC3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001398901 GDSUEOWHTZHXCJ-CHWSQXEVSA-N 364.406 -0.198 5 20 FBBD CN(C)c1ncccc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057632734 WHLWBQYTWHGWJJ-CHWSQXEVSA-N 365.390 -0.637 5 20 FBBD COCC(=O)NC1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 1329650304 RUCYZMDPVIKDJQ-UHFFFAOYSA-N 358.376 -0.095 5 20 FBBD COC(=O)NCC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1846511712 CVXVWTJWWLUGBG-UHFFFAOYSA-N 366.334 -0.509 5 20 FBBD CNC(=O)c1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)c([N+](=O)[O-])c1 53557947 DGRGQNUQGNQRPO-UHFFFAOYSA-N 371.419 -0.117 5 20 FBBD COCCN1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1=O 271077999 TXHZWVXUSHUOIJ-UHFFFAOYSA-N 358.376 -0.463 5 20 FBBD CNC(=O)CN1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 272557851 UWLJPHVUOQVXCT-UHFFFAOYSA-N 370.431 -0.169 5 20 FBBD CNC(=O)CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 497018027 HIXTUQURTUEQDA-UHFFFAOYSA-N 363.374 -0.261 5 20 FBBD NC(=O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 511306474 JTGCRUHWNNWJBL-ZETCQYMHSA-N 368.165 -0.518 5 20 FBBD NC(=O)c1cc([N+](=O)[O-])cnc1NCCCCN1CCN(CCO)CC1 511718363 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CN(C)S(=O)(=O)NCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 297172028 FEMLOCMHPKADGF-UHFFFAOYSA-N 359.408 -0.168 5 20 FBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2nccn3nnnc23)c1 531379525 POXFAJVWZHXBJA-UHFFFAOYSA-N 364.347 -0.182 5 20 FBBD COc1ccc(C(=O)NCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1[N+](=O)[O-] 569740188 NSWIEMXLMQUTGH-STQMWFEESA-N 366.374 -0.534 5 20 FBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNCC2(N3CCOCC3)CCOCC2)c1 570202290 FRJBAMHHMDXOEA-HNNXBMFYSA-N 369.422 -0.377 5 20 FBBD CCn1c(C)nc([N+](=O)[O-])c1N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 581845590 HANMNBFKRHXFJH-JTQLQIEISA-N 359.408 -0.141 5 20 FBBD CN(C)[C@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1O 583212276 LLLRVZGTCMSXBQ-RYUDHWBXSA-N 352.347 -0.131 5 20 FBBD CC(C)(CNS(=O)(=O)c1ncccc1[N+](=O)[O-])NS(C)(=O)=O 594754965 QDQJYTYMHHIDLA-UHFFFAOYSA-N 352.394 -0.404 5 20 FBBD NC[C@@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 595927231 BVAMQFJJJRHGQW-OLZOCXBDSA-N 372.403 -0.647 5 20 FBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCN1CC[C@H](O)C1 600808739 QOCWCQKIVLETHR-LBPRGKRZSA-N 364.358 -0.497 5 20 FBBD NC(=O)CN(CC(N)=O)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 609916783 AXKPDRYMNGFJNV-UHFFFAOYSA-N 350.740 -0.791 5 20 FBBD CCS(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 739183028 IYNAALWTGPAZGA-UHFFFAOYSA-N 365.389 -0.319 5 20 FBBD CCNS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 759257703 ALVXCQJESGRUKS-UHFFFAOYSA-N 367.405 -0.179 5 20 FBBD CCN(OC)C(=O)CNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 844072413 JMRCIGHALZXRCG-UHFFFAOYSA-N 368.346 -0.141 5 20 FBBD NC(=O)c1ccc(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 946703197 PGRFOOBDYCBZBU-DGCLKSJQSA-N 361.358 -0.434 5 20 FBBD CCn1cc(CC(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 946705523 DZPQFXRFPGTNGH-CHWSQXEVSA-N 350.379 -0.387 5 20 FBBD Cn1ccc(C(=O)NC2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1055574864 AROBBWSUZXUEEA-TZMCWYRMSA-N 364.406 -0.604 5 20 FBBD CCc1ccnc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1057679690 VGMYHXFNEWDXQT-TZMCWYRMSA-N 350.375 -0.140 5 20 FBBD O=C(NC1(CO)CCN(C(=O)Cc2cncs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1080856902 YVRCPFBUWPVAKE-VXGBXAGGSA-N 368.415 -0.180 5 20 FBBD COCCCCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 1107167662 FWALDMIXBLQYPS-ZIAGYGMSSA-N 352.395 -0.157 5 20 FBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCCN1C(=O)CCC1=O 1117324985 GJKUVGJZYHSRAF-UHFFFAOYSA-N 362.342 -0.182 5 20 FBBD COCCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(CC(=O)N2CCC2)CC1 1151121048 CQGSMBLBFXGCFM-ZIAGYGMSSA-N 368.434 -0.129 5 20 FBBD CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 1320139572 HEYORIQDNBXCJV-SNVBAGLBSA-N 370.387 -0.069 5 20 FBBD O=C1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)c2cc(-c3nn[nH]n3)ccc2N1 1593398568 YVYHNRKUYOAIFI-UHFFFAOYSA-N 369.301 -0.043 5 20 FBBD NC[C@H](N)C(=O)N1CCCC12CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1843349922 KDXSUXMYDGENHV-NSHDSACASA-N 363.374 -0.597 5 20 FBBD C[C@@H]1CCCN(c2ccc(C(=O)NC(C(N)=O)C(N)=O)cc2[N+](=O)[O-])C1 23388270 ILRYTOZRHQZERR-SECBINFHSA-N 363.374 -0.100 5 20 FBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(CC(=O)N2CCCC2)CC1 97681436 TZCKUPDWXNTPBT-UHFFFAOYSA-N 364.406 -0.052 5 20 FBBD CS(=O)(=O)N1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 272902573 MDXJSILAYRWQBH-UHFFFAOYSA-N 364.405 -0.676 5 20 FBBD Cc1cc(S(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc([N+](=O)[O-])c1F 275826856 BSWIHAGCMJBDSK-ZETCQYMHSA-N 360.323 -0.049 5 20 FBBD COC(=O)[C@H](NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H](C)O 276799423 SFPUBDSRCSRCLK-TVQRCGJNSA-N 353.331 -0.328 5 20 FBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1COCCO1 421991248 PJBZHAWNWWFXOI-CYBMUJFWSA-N 373.387 -0.253 5 20 FBBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1CNC[C@@H]1O 493979735 IUADVWAYEHXFAK-MFKMUULPSA-N 364.358 -0.021 5 20 FBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNS(=O)(=O)N2CCC2)cc1 508743292 LKPQPBPEJMELFU-UHFFFAOYSA-N 364.405 -0.587 5 20 FBBD CN(C)C(=O)COc1cccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 517416193 BPXYKOALEZPOBX-UHFFFAOYSA-N 362.346 -0.030 5 20 FBBD NS(=O)(=O)[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 534493227 QNTOLRKTWOGKQG-GFCCVEGCSA-N 370.387 -0.396 5 20 FBBD CS(=O)(=O)N1CC[C@@H](Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 563717670 WJHJPICQHOCGMR-MRVPVSSYSA-N 364.405 -0.312 5 20 FBBD Cc1cc(NC(=O)COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])no1 591887678 NMXNMWVGCVDVSI-UHFFFAOYSA-N 356.316 0.556 5 20 FBBD O=C(C(=O)N1[C@H]2CC[C@H]1CNC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 595995594 PLJZZVKZJONSTJ-KBPBESRZSA-N 374.401 -0.399 5 20 FBBD CN(C)C(=O)NCCN(C)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598618094 UUYLWZGWFFLVIC-UHFFFAOYSA-N 353.383 -0.071 5 20 FBBD NC(=O)c1ccccc1N1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 609559551 LWSMATWYSXDPTL-JTQLQIEISA-N 359.346 -0.320 5 20 FBBD CS(=O)(=O)c1ccc(C(=O)OCCCS(N)(=O)=O)cc1[N+](=O)[O-] 741821095 YNKSXLTXFDFTFT-UHFFFAOYSA-N 366.373 -0.166 5 20 FBBD CS(=O)(=O)N1CCN(CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 818973195 NJSCATSHAXJZPI-OAHLLOKOSA-N 372.447 -0.205 5 20 FBBD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1cn(C)nc1[N+](=O)[O-] 847783440 GBTUADNUIHMUMA-MRVPVSSYSA-N 372.363 -0.528 5 20 FBBD NC(=O)c1c[nH]c(C(=O)N2CCC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)c1 1019014741 CWZSAFBEHFXJRP-ZYHUDNBSSA-N 361.358 -0.547 5 20 FBBD CC1(NC(=O)CCCCNC(N)=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1073015872 XXRZIAUUFUHMQL-VXGBXAGGSA-N 369.422 -0.013 5 20 FBBD O=C(CCc1ncc[nH]1)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074583274 BHEKVXMLJHQRMF-VXGBXAGGSA-N 365.390 -0.523 5 20 FBBD Cc1conc1C(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1081001989 KUTYNUXDEWEFQL-GHMZBOCLSA-N 352.347 -0.268 5 20 FBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NCCCNC(C)=O 1261170274 HHGQRGYEZRZNDS-UHFFFAOYSA-N 352.347 -0.138 5 20 FBBD Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)Cn2ccc([N+](=O)[O-])n2)cn1 1321150498 UZRCUMSZSSVOTO-BUBHHJDNSA-N 352.376 -0.143 5 20 FBBD CCOC(=O)C1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1323617441 TWTSTOYBGAPOIG-UHFFFAOYSA-N 367.362 -0.291 5 20 FBBD CN(CCNS(C)(=O)=O)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1325499216 GMBXJAPQVCQDND-UHFFFAOYSA-N 358.376 -0.781 5 20 FBBD Cc1cc(NC(=O)CN2CCN(c3nnc(C[N+](=O)[O-])n3C)CC2)no1 1344618428 IWMRMOJIYOPDFE-UHFFFAOYSA-N 364.366 -0.351 5 20 FBBD CN(CC(=O)N1CCNCC1)C(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 1598380670 NIHHLYXERJXDIA-UHFFFAOYSA-N 350.331 -0.203 5 20 FBBD O=C(NC1(CCO)CN(C(=O)CCc2cscn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1756081773 CLNHQQPJEVGRKM-VXGBXAGGSA-N 368.415 -0.180 5 20 FBBD CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 11672598 QDRPTLROHKIRGQ-SSDOTTSWSA-N 373.343 -0.001 5 20 FBBD CNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 12511316 KSTXPVFGFJSUCG-UHFFFAOYSA-N 352.303 -0.368 5 20 FBBD Cc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 268643300 RYDDCBOTDIGYOP-JTQLQIEISA-N 368.371 -0.765 5 20 FBBD NS(=O)(=O)c1ccc(NCCC(=O)NCCC(=O)O)c([N+](=O)[O-])c1 268912410 NWKYAJVKEAFYNT-UHFFFAOYSA-N 360.348 -0.365 5 20 FBBD COc1ccc(C(=O)NCC(=O)N2CCN(CCO)CC2)cc1[N+](=O)[O-] 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C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1603829919 CGWFPGLIQIEPDK-SSDOTTSWSA-N 367.347 -0.416 5 20 FBBD NC(=O)CC(=O)N1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1606411991 GHOBHKCNGXDRTQ-UHFFFAOYSA-N 374.361 -0.311 5 20 FBBD CC(C)N(CCN(C)C(=O)C1CS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1756695360 OIZHEGQIORMFIO-VXGBXAGGSA-N 361.420 -0.608 5 20 FBBD NS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 265513569 HSHZEZSIBXBWOL-UHFFFAOYSA-N 364.767 -0.019 5 20 FBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C(N)=O)O[C@H](C)C1 268499113 URFCSTZHVRQBEN-PELKAZGASA-N 366.330 -0.357 5 20 FBBD Cc1c(C(=O)NCC(F)(F)CN)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 275160648 OLGMPQFHNJGBHC-UHFFFAOYSA-N 352.319 -0.126 5 20 FBBD C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])C(N)=O 280220081 LEQPXTAZCQPSOH-JTQLQIEISA-N 371.419 -0.183 5 20 FBBD CNS(=O)(=O)[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 366661430 FESVQZUYTGKWEJ-SECBINFHSA-N 364.405 -0.630 5 20 FBBD O=C(NCC(=O)N1CCOCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472690703 XOGMBNRJJLDBQM-UHFFFAOYSA-N 354.294 -0.353 5 20 FBBD COCC(=O)NC1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 472711843 YIUWPNGJRLWPGM-UHFFFAOYSA-N 354.294 -0.354 5 20 FBBD CCCNCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 516917145 BPCMZTCOUCUKEW-UHFFFAOYSA-N 364.406 -0.246 5 20 FBBD CN(C)C(=O)CN1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 520269805 VZTZSSZXQJBEDY-UHFFFAOYSA-N 352.395 -0.150 5 20 FBBD CCC(CC)(NC(=O)C1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1)C(N)=O 569016724 YNAFHQBKDVLGHB-UHFFFAOYSA-N 352.351 -0.450 5 20 FBBD C[C@H](N)[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 592476336 AEBOIVGTTGIDJR-FZMZJTMJSA-N 365.390 -0.031 5 20 FBBD COC(=O)c1nc(N(C)C[C@H](C)O)nc(N(C)C[C@@H](C)O)c1[N+](=O)[O-] 596090306 BDYASYPHRIHXDU-BDAKNGLRSA-N 357.367 -0.195 5 20 FBBD Cn1cnnc1N1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 596298617 JMAQPZDGYVYYEG-UHFFFAOYSA-N 367.391 -0.303 5 20 FBBD CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 610260783 HNYLVSVPFUDSOK-VIFPVBQESA-N 364.405 -0.308 5 20 FBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(C(N)=O)CCOCC1 610898697 VGLZRIAPHMKDFZ-UHFFFAOYSA-N 359.360 -0.084 5 20 FBBD CN(CCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)S(C)(=O)=O 611744316 BHJOTLIOUICNGV-UHFFFAOYSA-N 366.421 -0.064 5 20 FBBD Cn1cc(N2CC[C@@H](OC(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2=O)cn1 732334038 BIWYDHNYCWGUBL-GFCCVEGCSA-N 361.314 -0.161 5 20 FBBD C[C@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(=O)NCC(=O)O 736695410 AKWHCEUDZLPUMX-QMMMGPOBSA-N 363.286 -0.078 5 20 FBBD CON(C)C(=O)CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 817803869 JQUZGJCWFQNQHD-UHFFFAOYSA-N 352.351 -0.159 5 20 FBBD O=C(O)CNC(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 821532643 UNWZWZJIDONKAC-UHFFFAOYSA-N 367.270 -0.936 5 20 FBBD CN(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825838622 BHSKMFDXTVDMBH-UHFFFAOYSA-N 369.363 -0.469 5 20 FBBD Cc1cc(C(=O)NCC(=O)n2ncc(-c3nn[nH]n3)c2N)ccc1[N+](=O)[O-] 826259271 NBBZXRXKNWDGMR-UHFFFAOYSA-N 371.317 -0.068 5 20 FBBD O=C(CC1CS(=O)(=O)C1)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 946706966 XHBDPILEVXTNQZ-VXGBXAGGSA-N 359.404 -0.807 5 20 FBBD COc1c(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 969001553 PYGQRFJXMCJGJS-LSCVPOLPSA-N 363.374 -0.091 5 20 FBBD O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1nc2ncccn2n1 978794817 KWJHSKXIPDLUNG-LMLFDSFASA-N 359.346 -0.586 5 20 FBBD O=C(NCC1(O)CN(C(=O)CCc2cncs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042977629 ADRLYVBOEQCGIE-GHMZBOCLSA-N 354.388 -0.570 5 20 FBBD COc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1058079200 DAPZDVYGBFWTQV-VXGBXAGGSA-N 352.347 -0.694 5 20 FBBD O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1)c1ccnc(O)c1 1070114181 FGUNJUFBQNMYSN-VXGBXAGGSA-N 364.358 -0.152 5 20 FBBD Cc1ccnn1CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1070114573 WXGGTKYTGDOVRG-CHWSQXEVSA-N 365.390 -0.362 5 20 FBBD Cc1ncc(CNCc2cn(C3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)nn2)o1 1093318710 MEWVEUBCRBLOOL-ZIAGYGMSSA-N 361.362 -0.087 5 20 FBBD Cn1cc(S(=O)(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c(=O)n(C)c1=O 1318713747 DHRLTFCLGALNCT-UHFFFAOYSA-N 366.355 -0.303 5 20 FBBD C[C@@H](c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C)[N+](=O)[O-] 1346584801 SEZOLWPBCYQFCE-NSHDSACASA-N 365.394 -0.576 5 20 FBBD CC(=O)Nc1nc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 1754767353 KUIRBRCFMZZQOS-GHMZBOCLSA-N 369.403 -0.570 5 20 FBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 378223820 JGCOBEGVOZSWPJ-LLVKDONJSA-N 356.360 -0.317 5 20 FBBD CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCN(S(C)(=O)=O)CC1 426973833 URLHFFXQWBYREG-UHFFFAOYSA-N 374.423 -0.143 5 20 FBBD CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)n1 427371293 ATKLCJJGGXZBLC-SECBINFHSA-N 353.335 -0.295 5 20 FBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCN1CCNCC1 428656936 LDOBDIUKMPWEAH-UHFFFAOYSA-N 364.406 -0.585 5 20 FBBD O=C1NC2(CCSCC2)C(=O)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 438717279 TZVGDNUJEPTQQI-JTQLQIEISA-N 355.376 -0.030 5 20 FBBD NC(=O)c1ccc(SCC(=O)NCCc2nc(=O)o[nH]2)c([N+](=O)[O-])c1 447636773 LQXNHIRBOODFJE-UHFFFAOYSA-N 367.343 -0.179 5 20 FBBD COC(=O)[C@@H](O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 487682117 AMWCCENQUUSPFE-QMMMGPOBSA-N 362.316 -0.822 5 20 FBBD Cn1cnnc1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 521131742 YGPZDEOLJOUSHI-UHFFFAOYSA-N 368.375 -0.292 5 20 FBBD COC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 538822883 RQBZYKWPLJXRCC-UHFFFAOYSA-N 366.330 -0.962 5 20 FBBD NC(=O)[C@@H]1CCCN1CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 599395165 BHGZILXRVCJLOU-JTQLQIEISA-N 357.392 -0.392 5 20 FBBD CCN(CCN)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 599907727 CTFUTXIJSGMQLK-UHFFFAOYSA-N 359.408 -0.137 5 20 FBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N(C)Cc2cnn(C)c2)c1 603912629 TYCZXAPTJSACHR-UHFFFAOYSA-N 363.330 -0.065 5 20 FBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nc2ccccn2c1[N+](=O)[O-] 771178229 VGWBNOCVTILOAM-SNVBAGLBSA-N 367.387 -0.018 5 20 FBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(Cc2nnc3n2CCOC3)C1 950053003 RZUOFIGWFGFRFW-VXGBXAGGSA-N 350.379 -0.494 5 20 FBBD Cn1ncc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1N 952701833 PXMUOWMDKHZZLB-LSCVPOLPSA-N 362.390 -0.127 5 20 FBBD Cc1cnoc1C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 965467520 GBWYHRRTAHTERK-GHMZBOCLSA-N 350.331 -0.298 5 20 FBBD CN(C)c1cnc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 978794688 IZHDKYZLGZBCLD-LSCVPOLPSA-N 362.390 -0.168 5 20 FBBD NC(=O)c1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 1003229950 VYBBVGRZRLOWBV-RKDXNWHRSA-N 352.372 -0.300 5 20 FBBD O=C(c1c[nH]c(=O)cn1)N1CCCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1010653214 QIEPKKCRBLETIV-ZYHUDNBSSA-N 361.358 -0.500 5 20 FBBD CN(C)Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 1011114104 DFNIIMGHJPRRJZ-DGCLKSJQSA-N 351.363 -0.314 5 20 FBBD O=C(NCC1(O)CN(C(=O)COC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042980870 BNLRNFSJNKFRMJ-CHWSQXEVSA-N 355.391 -0.310 5 20 FBBD CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1CCN(C(N)=O)CC1 1067389971 YGJGUVONQMCNET-CHWSQXEVSA-N 369.422 -0.251 5 20 FBBD Cn1cc(N2CC[C@@H](OC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2=O)cn1 1320011683 FTMZEOGOJLWILV-CYBMUJFWSA-N 361.314 -0.161 5 20 FBBD O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1593321867 LDZCPKGKMSYTBN-MWLCHTKSSA-N 360.334 -0.856 5 20 FBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N2CC[C@@]3(O)C[C@H]3C2)c1 1593475641 YUVMLNDONNVZOC-ISVAXAHUSA-N 366.359 -0.080 5 20 FBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@]1(C(=O)O)CCOC1 1601324083 NCMZXLOMNJQZPI-OAHLLOKOSA-N 351.315 -0.068 5 20 FBBD O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1609579475 DSHZUAYMZLGPHG-UHFFFAOYSA-N 370.333 -0.145 5 20 FBBD NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 1793107118 CZGJZFPTIUVMHW-MZVFARIOSA-N 364.358 -0.251 5 20 FBBD CN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265289134 JZKAVCYXYHLJQX-UHFFFAOYSA-N 352.394 -0.731 5 20 FBBD Cc1c(C(=O)N[C@@H](C)C(=O)N(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 265392414 DIEHSNQGPIEMBE-QMMMGPOBSA-N 358.376 -0.243 5 20 FBBD COC[C@@H](O)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 270844508 IWOYLUMXJBSHDL-VIFPVBQESA-N 351.315 -0.296 5 20 FBBD COCC[C@@H](CO)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 281752837 SZMLOQGNUUYMQG-VIFPVBQESA-N 351.315 -0.296 5 20 FBBD COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 365175854 GIWSYGCQIQSXIQ-SNVBAGLBSA-N 374.423 -0.156 5 20 FBBD C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1c1nccn2cnnc12 433571372 OSMLHAMJWCSJTN-SNVBAGLBSA-N 372.349 -0.639 5 20 FBBD O=C(CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1CCNCC1 575027328 BYOYRTOASWQBQA-UHFFFAOYSA-N 363.374 -0.201 5 20 FBBD COC(=O)[C@H]1C[C@H](O)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 592003164 GYJGVTRECYQYES-IUCAKERBSA-N 359.360 -0.398 5 20 FBBD CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1C[C@@H](C(N)=O)C1 600581014 YLZGVRRNNMIMAN-DTORHVGOSA-N 360.326 -0.087 5 20 FBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 604477184 RIHRAUAZJYPTQW-UHFFFAOYSA-N 360.396 -0.950 5 20 FBBD CNC(=O)NCCC(=O)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 796984437 RQYAZCUPYZYUKL-UHFFFAOYSA-N 358.376 -0.098 5 20 FBBD NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 815034968 BBCOQAYAUQWULG-LLVKDONJSA-N 367.742 -0.002 5 20 FBBD Cc1nc(CN2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)n[nH]1 826325945 RVTSKGXDBSOGSV-UHFFFAOYSA-N 371.365 -0.081 5 20 FBBD CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 826938630 ZYSMKCDRQJGBLE-GJZGRUSLSA-N 353.375 -0.220 5 20 FBBD O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N(CCO)CCN1CCOCC1 827400985 VLIBFMDQHOWFLC-OAHLLOKOSA-N 353.375 -0.219 5 20 FBBD CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 840327896 VEQMUQZCEAMOOB-HUUCEWRRSA-N 367.450 -0.652 5 20 FBBD O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCS(=O)(=O)N1 845373680 UWTPAPXLSXXADK-RYUDHWBXSA-N 369.355 -0.065 5 20 FBBD CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 913304984 DAROLOAQUSJTRH-JTQLQIEISA-N 353.335 -0.586 5 20 FBBD Cc1nc(C)c(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(O)n1 954241426 JKWUJLGVVMLVTC-CHWSQXEVSA-N 363.374 -0.324 5 20 FBBD CN(C(=O)c1nnc2ccccc2n1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954794158 YYUNULFBSBYNNZ-ZWNOBZJWSA-N 356.342 -0.027 5 20 FBBD Cn1cc(C(=O)NC2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1O 956481717 BQNMLFSXJOQCEO-MWLCHTKSSA-N 351.363 -0.098 5 20 FBBD O=C(Cn1cnnn1)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@H]2C1 967349809 SLTLMJRHDFNEFA-YVECIDJPSA-N 363.378 -0.965 5 20 FBBD CSCC(=O)N1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1001746251 UHDIRQJFHLNAJL-GHMZBOCLSA-N 358.420 -0.808 5 20 FBBD Cn1ncc(C(=O)N2CCCC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)c1N 1010651913 FEVYJWPQZHSFQM-ZYHUDNBSSA-N 362.390 -0.268 5 20 FBBD CCn1nc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1=O 1067389021 OVQNMQRSGQRQTJ-DGCLKSJQSA-N 365.390 -0.151 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C[C@H](O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 270760730 DDUTXGZVYVOIGJ-VIFPVBQESA-N 358.376 -0.728 5 20 FBBD Cn1cc([C@@H](CO)NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cn1 272424454 XZXCSEMZOWWDSC-LLVKDONJSA-N 373.325 -0.226 5 20 FBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc([N+](=O)[O-])c1N 274056194 OLFZBOCRCMTLLR-SNVBAGLBSA-N 357.344 -0.411 5 20 FBBD O=C(O)[C@@H](CCO)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 274875238 BQFZZAKOQQYECF-SSDOTTSWSA-N 362.316 -0.520 5 20 FBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNC(=O)N(C)C 276038971 AMEDXCDKJCLKBY-UHFFFAOYSA-N 353.335 -0.071 5 20 FBBD COC(=O)[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 413975181 PLUPHXZNDLCDEO-AOOOYVTPSA-N 371.371 -0.059 5 20 FBBD O=C(O)[C@H]1Cn2c(O)nnc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 424396918 YPMLYMJUAVHZCS-SECBINFHSA-N 369.315 -0.450 5 20 FBBD CS(=O)(=O)NCCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] 498912993 VEVJGYZBDHXVLT-UHFFFAOYSA-N 352.394 -0.407 5 20 FBBD COC(=O)c1cn([C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)C2)nn1 546160131 VCUWSNIFZRQLEI-JTQLQIEISA-N 363.334 -0.049 5 20 FBBD Cc1c(C(=O)NC[C@H](O)Cn2ccnn2)nnn1-c1cccc([N+](=O)[O-])c1 580835630 KBCOCDYCPRQARL-ZDUSSCGKSA-N 372.345 -0.134 5 20 FBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(S(C)(=O)=O)CCCC2)n1 599317630 UDIUWBLFZWMZQG-UHFFFAOYSA-N 366.421 -0.036 5 20 FBBD COC(=O)C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 600856745 FEMUPWOFAVIKJX-NSHDSACASA-N 367.314 -0.455 5 20 FBBD Cn1nccc1S(=O)(=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 765657855 LKSCJOKUBGMWTB-UHFFFAOYSA-N 367.343 -0.437 5 20 FBBD CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 839661389 AKQISWYDWGVHCE-GGZOMVNGSA-N 370.387 -0.297 5 20 FBBD COCC(=O)N(C)CC(=O)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 850886601 ZTRPXJITKQEEEK-UHFFFAOYSA-N 363.323 -0.356 5 20 FBBD Cc1nnccc1C(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 965376415 QJFITQOAIQINHF-CHWSQXEVSA-N 361.358 -0.496 5 20 FBBD O=C(c1ccncc1)N1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 967216745 VFPIGFYHJIXIBD-HUUCEWRRSA-N 359.386 -0.285 5 20 FBBD NC(=O)c1csc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 973254691 PGMTVZRPZHQHTO-ZYUZMQFOSA-N 352.372 -0.111 5 20 FBBD O=C1CCCN1CC(=O)N1CC2(CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1010523852 FGYIXLLZZKRFHQ-CHWSQXEVSA-N 364.402 -0.275 5 20 FBBD O=C(N[C@H]1C[C@@H](NCc2nc(-c3ccncn3)no2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1022064078 VAFQHOIXDYWORI-DTHBNOIPSA-N 359.346 -0.071 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc2n(n1)CCCC2 1043574816 QMPDUECHOPEXIO-DGCLKSJQSA-N 363.374 -0.812 5 20 FBBD CN(CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(C)(C)C 1057545556 DQZIGKPFADGFJU-CHWSQXEVSA-N 358.439 -0.433 5 20 FBBD NC(=O)NCCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 1061007268 WGZSHBQZGVQFLD-GHMZBOCLSA-N 353.379 -0.839 5 20 FBBD Cc1nc(CNCc2cn(C3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)nn2)co1 1093319147 XZVIZBNGPLOUPV-ZIAGYGMSSA-N 361.362 -0.087 5 20 FBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 1323904319 FGKYTGLINXNTEA-YPMHNXCESA-N 351.363 -0.065 5 20 FBBD COc1ccc(CNC(=O)C(=O)N2CCn3ncnc3C2)cc1[N+](=O)[O-] 1325804694 MQHDLGOOSDIMCB-UHFFFAOYSA-N 360.330 -0.147 5 20 FBBD COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(CCn2c([N+](=O)[O-])cnc2C)c1 1604964647 YMFNPHFZLOTHNF-UHFFFAOYSA-N 374.317 -0.072 5 20 FBBD CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2 1801659366 QAWVIGQVEHWIHF-JGPRNRPPSA-N 364.362 -0.294 5 20 FBBD CC(C)NC(=O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 7116320 GGSXGNXFRJBSMB-UHFFFAOYSA-N 350.331 -0.039 5 20 FBBD O=C(C[C@H]1COCCN1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 262314922 CDUHRVXZJJMKBO-NSHDSACASA-N 372.403 -0.632 5 20 FBBD COC(=O)[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 268457602 OEJWNTHTVYODSO-SECBINFHSA-N 359.360 -0.107 5 20 FBBD COC(=O)[C@@H](NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H](C)O 276799419 SFPUBDSRCSRCLK-RNCFNFMXSA-N 353.331 -0.328 5 20 FBBD COc1c(F)cc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1[N+](=O)[O-] 277253676 MDMUYDIIUDWGIK-ANLVUFKYSA-N 352.296 -0.145 5 20 FBBD O=C(CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1 505799774 VYLAVWGBUNAQBD-JTQLQIEISA-N 371.371 -0.276 5 20 FBBD Cn1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(O)nc1=O 515282516 SCOWNOZFYQTFOM-UHFFFAOYSA-N 360.330 -0.249 5 20 FBBD CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 525174152 PPDWQAOLJVAUIB-SECBINFHSA-N 371.375 -0.995 5 20 FBBD COc1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] 542995387 VXPDCTSYBVJLTO-UHFFFAOYSA-N 360.348 -0.793 5 20 FBBD COC[C@H](NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)OC 543011022 JPNXYXGCPQBHRB-NSHDSACASA-N 353.331 -0.063 5 20 FBBD COC(=O)CNC(=O)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 565726650 QGLAEPDEILGVCM-UHFFFAOYSA-N 351.315 -0.037 5 20 FBBD NC(=O)[C@]1(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCOC1 568103571 BGYYEZMOMLDANT-AWEZNQCLSA-N 352.303 -0.504 5 20 FBBD NC(=O)[C@@]1(O)CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 578309134 KVMFAEDWJCOBAV-OAHLLOKOSA-N 350.331 -0.837 5 20 FBBD NC[C@@H]1OCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 595947681 UXVRXRVFXVPNPS-JQWIXIFHSA-N 372.403 -0.647 5 20 FBBD C[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@@H](C(N)=O)C1 746594784 LCIYPBZSTMQHPA-GHMZBOCLSA-N 367.362 -0.163 5 20 FBBD COCCONC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 748776542 MUHITMMHVFKZCQ-UHFFFAOYSA-N 362.364 -0.262 5 20 FBBD COC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)OC)cc1[N+](=O)[O-] 817148515 YJIORLNNDDROMN-UHFFFAOYSA-N 361.332 -0.321 5 20 FBBD NC(=O)CN1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 853214104 DVTDNNQMYDJVRZ-UHFFFAOYSA-N 357.392 -0.760 5 20 FBBD CNC(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1011114237 BNTSSOCBNKJWIU-DGCLKSJQSA-N 361.358 -0.609 5 20 FBBD CCn1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)nn1 1070114405 OFJMJCKNGQITGL-ZYHUDNBSSA-N 366.378 -0.642 5 20 FBBD CN1CC[C@H](N2CCC(NC(=O)c3c([N+](=O)[O-])cnn3C)CC2)C1=O 1261440667 QPORYPUGNCUJHT-NSHDSACASA-N 350.379 -0.247 5 20 FBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1593370898 YMJAUBATECFUCT-UHFFFAOYSA-N 370.333 -0.145 5 20 FBBD CC(=O)N1CCN(CCNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1602929413 RYXFEXCLFXVLHO-UHFFFAOYSA-N 361.366 -0.254 5 20 FBBD NS(=O)(=O)c1ccc(NCCC(=O)NC2[C@@H]3CNC[C@@H]23)c([N+](=O)[O-])c1 368360506 HRCFOFZZFXGAGT-NXEZZACHSA-N 369.403 -0.622 5 20 FBBD O=C(C[C@H]1CCNC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 427363179 TYRXFCYNAXOCMW-LLVKDONJSA-N 356.404 -0.011 5 20 FBBD Cc1nn(C)c(C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)c1[N+](=O)[O-] 428610082 BNHHETFSVJBIOF-GFCCVEGCSA-N 364.406 -0.079 5 20 FBBD COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 512274590 AGWRLDOKKOZMAU-MNOVXSKESA-N 354.367 -0.424 5 20 FBBD CS(=O)(=O)N1CCC(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 530617195 HMCYXZHHYVPLNM-UHFFFAOYSA-N 364.405 -0.308 5 20 FBBD NC(=O)N[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 535714251 KHTDIVAOOWMUDM-LLVKDONJSA-N 364.362 -0.337 5 20 FBBD COC(=O)c1cn([C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 545520165 HUERNLNNJBPCQH-CMPLNLGQSA-N 365.350 -0.523 5 20 FBBD CNc1nccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] 557480818 CLORZWJMFMZXQP-UHFFFAOYSA-N 357.392 0.139 5 20 FBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 594825537 CCHHPCXAZQEOFH-GHMZBOCLSA-N 364.401 -0.006 5 20 FBBD CN1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)NC1=O 596921295 XHOSOIFHVPOYTM-NSHDSACASA-N 371.375 -0.987 5 20 FBBD CS(=O)(=O)N1CCN(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 611555478 KFYLRAJNAIQRSV-UHFFFAOYSA-N 372.403 -0.393 5 20 FBBD COc1ccc(C(=O)NCC(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1[N+](=O)[O-] 782719673 VLFXQBDYMASIBT-PHIMTYICSA-N 353.331 -0.713 5 20 FBBD Cn1cc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2=O)cn1 822684766 HEHAAYJVBPSPGX-UHFFFAOYSA-N 370.333 -0.243 5 20 FBBD COC(=O)C[C@@]1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCCOC1 859111599 CVCJFMBMYWVECF-LBPRGKRZSA-N 362.364 -0.281 5 20 FBBD Cn1nnc2cc(C(=O)N[C@H]3[C@@H]4CN(C(=O)[C@@H]5C[C@H]5[N+](=O)[O-])C[C@@H]43)cnc21 976848194 HGXMYUPHBYVNLA-QTCIEIIFSA-N 371.357 -0.785 5 20 FBBD COc1ccc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)nc1 977032373 NVYDMNAQJKWVTF-SSZWKKLZSA-N 360.370 -0.129 5 20 FBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(Cc2ccc(S(C)(=O)=O)o2)C1 1042711409 SKKNHWLHBVQTBI-VXGBXAGGSA-N 357.388 -0.009 5 20 FBBD COc1cc(CC(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 1058850265 JFLHEQPIXFWKHB-CHWSQXEVSA-N 366.374 -0.765 5 20 FBBD O=C(NCCN(CCO)C(=O)c1ccc2c(c1)CCO2)[C@@H]1C[C@H]1[N+](=O)[O-] 1058931209 ANDYKLVIHLMOMR-ZIAGYGMSSA-N 363.370 -0.163 5 20 FBBD Cn1cnc(C(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 1080856671 PJMTURRTSOBVTI-ZYHUDNBSSA-N 351.363 -0.831 5 20 FBBD Cc1conc1CNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1093318760 NWRMKMZLIHGRMC-TZMCWYRMSA-N 361.362 -0.087 5 20 FBBD CNC(=O)[C@@H](O)CN=c1c(I)c[nH]cc1[N+](=O)[O-] 1118035474 RFJAHXLBODFPBN-ZETCQYMHSA-N 366.115 -0.465 5 20 FBBD CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)C1 1118230541 SPIBUEGZLTVDAI-SNVBAGLBSA-N 372.403 -0.183 5 20 FBBD CN(C[C@H](O)CN1CCOCC1)c1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1591046257 UFLUKPNOZHSTHD-NSHDSACASA-N 363.378 -0.096 5 20 FBBD CNCCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1591218713 BNUKTRGKHUKRRA-UHFFFAOYSA-N 371.379 -0.711 5 20 FBBD CS(=O)(=O)C[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCO1 1605354290 YKWJWXLBDNXOBD-MRVPVSSYSA-N 369.363 -0.580 5 20 FBBD CN(C)C(=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1842837136 IWVFVWGJLCVRKJ-UHFFFAOYSA-N 350.335 -0.777 5 20 FBBD COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H](O)CN2CCOCC2)n1 283719302 FZPYVAZQJCRHSJ-LLVKDONJSA-N 354.363 -0.094 5 20 FBBD COc1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 298972878 IEQFCDOLYLSYNP-UHFFFAOYSA-N 357.388 -0.050 5 20 FBBD 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Cc1nonc1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 733925831 UBUHAQRCFOFSQT-UHFFFAOYSA-N 355.332 -0.005 5 20 FBBD O=C1N[C@@]2(C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@H]3C[C@@H]1[C@H]2C3 847895555 SOXZFCIIJWXZGG-SRXVSCBRSA-N 366.355 -0.291 5 20 FBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1C[C@H](O)C[C@H]1C(N)=O 862682808 IDZDNEHUKWCCLL-KOLCDFICSA-N 367.314 -0.758 5 20 FBBD O=C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)C2=CCCC2)CCN1 1001743453 DBNSZVKOXLSMBY-ZIAGYGMSSA-N 364.402 -0.061 5 20 FBBD Cc1nc2ccnn2cc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011114976 PBPRRGUNIIVGPD-DGCLKSJQSA-N 358.358 -0.013 5 20 FBBD CN(C(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1nccs1 1031662608 IVMWDYMPOQHVAS-GHMZBOCLSA-N 353.404 -0.181 5 20 FBBD CCCNC(=O)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042976814 VIYVLMSJMJDZHZ-VXGBXAGGSA-N 370.406 -0.962 5 20 FBBD Cc1cn(C(C)(C)C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 1042981623 YJDUPYLEQNIDGJ-VXGBXAGGSA-N 365.390 -0.719 5 20 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Cn1cnc(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 508457461 VRVQMYGLYVQVRB-UHFFFAOYSA-N 368.375 -0.292 5 20 FBBD Cc1c(C(=O)N2CC[C@@H](CO)[C@H](O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 546693573 PPKLOZSUJXVCMJ-TVQRCGJNSA-N 373.387 -0.634 5 20 FBBD CN(C)S(=O)(=O)C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F 557419525 GRRQQCNSZKKZSP-LURJTMIESA-N 374.301 -0.875 5 20 FBBD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 572788522 XJEMEDBYZSQKGY-RKDXNWHRSA-N 374.375 -0.276 5 20 FBBD COC[C@@H](OC)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 597263150 XJUYLAIIGXHRFM-LLVKDONJSA-N 361.376 -0.349 5 20 FBBD COC[C@@H](C(N)=O)N(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598904613 YVCZRUWRFFQWNL-NSHDSACASA-N 353.335 -0.325 5 20 FBBD CNC(=O)NC[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 599383819 BZGCRLFYPIKVLD-SECBINFHSA-N 359.364 -0.692 5 20 FBBD CCn1cc(S(=O)(=O)NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])n1 754794699 VSNFARPPHYEVLO-QWRGUYRKSA-N 359.408 -0.047 5 20 FBBD CON(C)C(=O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 817661258 AWYUQSOQSOWMOV-UHFFFAOYSA-N 374.375 -0.601 5 20 FBBD CCN(CC(=O)NC(C)C)C(=O)COC(=O)Cn1cnc([N+](=O)[O-])n1 919521876 WYNVTQYJRRTLPJ-UHFFFAOYSA-N 356.339 -0.897 5 20 FBBD COc1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)nn1C 969471843 FYSSPDUOFVDAKT-MEWQQHAOSA-N 363.374 -0.091 5 20 FBBD O=C(N[C@H]1C[C@@H](NC(=O)C2(N3CCOCC3)CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 974114244 CBVBECWQDNBQAH-XJFOESAGSA-N 366.418 -0.330 5 20 FBBD NC(=O)NCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1054808455 FDLVTPDPVKESIL-DDHJBXDOSA-N 355.395 -0.641 5 20 FBBD Cc1nc(C(=O)NCC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 1074583327 DFUVJMHAJGGTEJ-ZYHUDNBSSA-N 352.347 -0.268 5 20 FBBD Cc1[nH]nc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] 1115995681 VJVZHGFUIRLNLY-SNVBAGLBSA-N 357.392 -0.429 5 20 FBBD CS(=O)(=O)N1CCN(c2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])CC1 1591677809 AMTMMMLPUQXRBJ-UHFFFAOYSA-N 359.393 -0.082 5 20 FBBD 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5 20 FBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CO)CN1CCCC1 590371599 OBSRDPCRSHPRKS-ZDUSSCGKSA-N 350.375 -0.103 5 20 FBBD Cc1c(C(=O)N2CN(C)C(=O)[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 592903342 VJERLJJFECNAQG-QMMMGPOBSA-N 356.360 -0.189 5 20 FBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 594823749 YGAAPSLIQFWGLI-WCBMZHEXSA-N 350.374 -0.315 5 20 FBBD NC(=O)C1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609460206 SKDFUTQVQDWSGG-UHFFFAOYSA-N 356.360 -0.745 5 20 FBBD COC(=O)CNC(=O)c1ccc(NCCc2nnnn2C)c([N+](=O)[O-])c1 611306385 CRHPZYMIODRJGQ-UHFFFAOYSA-N 363.334 -0.324 5 20 FBBD CN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 733103492 DGWZNVNYVDSDRC-UHFFFAOYSA-N 364.270 -0.503 5 20 FBBD COc1ccc(S(=O)(=O)NC(=O)[C@H]2CCNC(=O)C2)c([N+](=O)[O-])c1 761005601 QJZXUANBOXYNIW-QMMMGPOBSA-N 357.344 -0.066 5 20 FBBD O=[N+]([O-])c1ccnn1CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 779870883 ZYLLWONRUORDPX-LBPRGKRZSA-N 359.408 -0.125 5 20 FBBD 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Cn1ncc(CN2CCn3ncc(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])c3C2)n1 1069860237 KPXZWFRELCAUQQ-CHWSQXEVSA-N 360.378 -0.691 5 20 FBBD CC(=O)CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074466580 CBYLASYIJLORMH-CHWSQXEVSA-N 355.391 -0.119 5 20 FBBD O=C(NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cc(F)c[nH]1 1074584514 KWHGEYZAJRWDEJ-ZYHUDNBSSA-N 354.338 -0.098 5 20 FBBD CCN(CC)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1080856664 PAGSBPIOORYYRF-CHWSQXEVSA-N 356.423 -0.537 5 20 FBBD O=C(N[C@H]1[C@@H]2CN(C(=O)C3(Cc4cnn[nH]4)CCC3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 1578022411 HBUMPVLCBZQTAA-RGDJUOJXSA-N 374.401 -0.244 5 20 FBBD O=[N+]([O-])c1ccc(N2CCN3CCOC[C@]3(CO)C2)c(-c2nn[nH]n2)c1 1593478173 DVGKWEQHNPJOHX-OAHLLOKOSA-N 361.362 -0.342 5 20 FBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 274078090 QIOMRHKKQDVEGY-LBPRGKRZSA-N 372.355 -0.228 5 20 FBBD O=C(NCCN1C(=O)CNC1=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 276030132 DDJPSDLDUGFNAM-UHFFFAOYSA-N 363.330 -0.081 5 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Cc1cc(S(N)(=O)=O)ccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 580183860 YVAPAZAKFAMHOB-ZDUSSCGKSA-N 369.403 -0.102 5 20 FBBD CC(C)NS(=O)(=O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594751797 BPTJUQPKRROORJ-UHFFFAOYSA-N 352.394 -0.404 5 20 FBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@H]1CNS(N)(=O)=O 597737100 PFOAXPGCPJFYGG-JTQLQIEISA-N 360.396 -0.726 5 20 FBBD O=C(COc1cccc(-c2nn[nH]n2)c1)OCCn1cnc([N+](=O)[O-])n1 823043602 BVRAEDNDMSHSGZ-UHFFFAOYSA-N 360.290 -0.011 5 20 FBBD NC(=O)c1ccc(C(=O)N2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 949489686 DWADCMMHICTULV-ZWNOBZJWSA-N 363.374 -0.253 5 20 FBBD CN(C(=O)CN1CCCC1=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 953744387 BSBDFLWBQWSDMD-CHWSQXEVSA-N 352.391 -0.277 5 20 FBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)c2cc(=O)n(C)o2)CC1 953926711 CHUXTIIOXDWCEG-GHMZBOCLSA-N 352.347 -0.294 5 20 FBBD O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc2nnc(O)n2c1 973253510 YSZAVQMHAICOHR-GWOFURMSSA-N 360.330 -0.523 5 20 FBBD O=C(N[C@H]1[C@@H]2CN(C(=O)c3cnc4[nH]ncc4c3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 976497252 YNWSZTQOOUDYJC-LBELIVKGSA-N 356.342 -0.190 5 20 FBBD Cn1cc(C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ncc1=O 1017626303 OMHHHNBGNCEADP-DGCLKSJQSA-N 361.358 -0.666 5 20 FBBD CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cccc(C(N)=O)n1 1067391922 OQLKMBPMJOGFHQ-ZWNOBZJWSA-N 363.374 -0.234 5 20 FBBD Nc1nccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] 1116868522 BSJSIHMIMCYTQR-JTQLQIEISA-N 369.403 -0.483 5 20 FBBD CC(C)N1C[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O 1328267175 LNFJLWHOXPAZBI-SNVBAGLBSA-N 352.351 -0.967 5 20 FBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N(C[C@@H]1CCOC1)C1CC1 1329712484 WHCOZRWHTNKTOG-NSHDSACASA-N 351.363 -0.065 5 20 FBBD O=C(O)[C@H]1CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1601833830 OHKXZRJDLNXFIU-LLVKDONJSA-N 357.344 -0.051 5 20 FBBD C[C@]12CN(c3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O 1603827550 VRTJEIAICAZUCS-ZIAGYGMSSA-N 358.318 -0.341 5 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Cn1ncnc1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 271520087 IRTXKPQYXNEFCS-UHFFFAOYSA-N 369.363 -0.177 5 20 FBBD CN(C[C@H](O)CO)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 273681825 FYHAXNPQEJFVGF-NSHDSACASA-N 361.376 -0.973 5 20 FBBD CC[C@H](N)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 417678261 JJBQMTIOUHSKHW-JTQLQIEISA-N 359.408 -0.090 5 20 FBBD COC(=O)[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 429484569 BOVAOBNZMHDRTB-BDAKNGLRSA-N 355.303 -0.558 5 20 FBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 435912701 ZTKNCCHTDCXTLP-LBPRGKRZSA-N 351.315 -0.218 5 20 FBBD NC(=O)CN1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1=O 458046466 LORYGUYZRVSKMF-UHFFFAOYSA-N 372.341 -0.450 5 20 FBBD O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CS(=O)(=O)CCO2)c1 507965795 OIBADGDKPLMFIV-GFCCVEGCSA-N 364.401 -0.172 5 20 FBBD Cc1cc(C(=O)NCC(=O)Nc2cnn(CC(N)=O)c2)ccc1[N+](=O)[O-] 543007520 RFJNTJORELSZIW-UHFFFAOYSA-N 360.330 -0.046 5 20 FBBD NC(=O)NC1(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 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C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1 417677326 HDRFYISKJWGQSO-NSHDSACASA-N 371.419 -0.124 5 20 FBBD CN(C)S(=O)(=O)C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(F)(F)F 516201363 FVYZNQHFOFNGLH-SSDOTTSWSA-N 373.313 -0.120 5 20 FBBD Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc1[N+](=O)[O-] 542877147 LVWBNJYBXMXQDX-NXEZZACHSA-N 372.403 -0.126 5 20 FBBD Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])no1 594741375 BRKRLJKOMZEUKE-UHFFFAOYSA-N 355.332 0.545 5 20 FBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 594825464 AGEWMQFGRHSNEK-ZYHUDNBSSA-N 364.401 -0.006 5 20 FBBD CN(C)C[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 597654238 QIBSHTMZLJTCQV-NSHDSACASA-N 374.419 -0.746 5 20 FBBD CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccnc(N)c1[N+](=O)[O-] 600231875 HPUCBCNYUJSMGP-INIZCTEOSA-N 365.390 -0.082 5 20 FBBD CS(=O)(=O)N1CCN(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 604465051 OFYLVJFBFYLIHL-UHFFFAOYSA-N 362.433 -0.037 5 20 FBBD 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20 FBBD NC[C@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 420022854 ABPCOOBDCGUACL-LBPRGKRZSA-N 362.390 -0.508 5 20 FBBD C[C@@H]1OCC[C@@]1(O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 447737459 CGLQSQAWFFOTTJ-MGPLVRAMSA-N 365.342 -0.024 5 20 FBBD COC(=O)[C@H]1CNC(=O)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 447907528 SCYITCVVRPRNLX-DGCLKSJQSA-N 353.331 -0.692 5 20 FBBD NS(=O)(=O)CCN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 499890665 WCZARVMUPFDMJR-UHFFFAOYSA-N 358.376 -0.653 5 20 FBBD COC(=O)[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C(=O)OC)C1 509378999 GEWOVEXHSJLNAX-RKDXNWHRSA-N 354.319 -0.105 5 20 FBBD Cc1c(C(=O)N2C[C@H]3COC[C@@H](C2)O3)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 514202311 VRWDSAZNOPEBHA-AOOOYVTPSA-N 371.371 -0.210 5 20 FBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 546780425 DSGDKOQYQUFLLU-SECBINFHSA-N 370.343 -0.472 5 20 FBBD CS(=O)(=O)N1CCC(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 548089121 FDWVMPNNLVGSLS-UHFFFAOYSA-N 357.392 -0.027 5 20 FBBD O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCCNCC1 575115559 HRNFBQGGQJJMRH-UHFFFAOYSA-N 362.390 -0.540 5 20 FBBD NCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 598915960 RMFPORFVRXTVFK-NSHDSACASA-N 363.374 -0.153 5 20 FBBD CNC(=O)CN1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 603929670 IOFGKVFVWHBULE-UHFFFAOYSA-N 371.419 -0.136 5 20 FBBD NS(=O)(=O)Cc1cccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 608867671 PEUBNCWCXGDSAT-UHFFFAOYSA-N 353.360 -0.104 5 20 FBBD NS(=O)(=O)C[C@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 609650505 HWTVCVUFTMHRPU-GFCCVEGCSA-N 370.387 -0.396 5 20 FBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 610871052 HJIWQADDQRDGPD-UHFFFAOYSA-N 372.341 -0.168 5 20 FBBD C[C@@H](CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)S(N)(=O)=O 611289452 KXXAWLXWVIMCFQ-DTWKUNHWSA-N 358.376 -0.494 5 20 FBBD O=C(CN1CCN(c2ccccn2)CC1)OCCn1cnc([N+](=O)[O-])n1 765964851 QKEHANLCYNKFQF-UHFFFAOYSA-N 361.362 -0.053 5 20 FBBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nn1c(O)nnc1O 816732531 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CCCn1nnnc1CN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 1053253676 UQWOUOOTEBFOSP-VXGBXAGGSA-N 365.394 -0.839 5 20 FBBD COCCC1(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1057545088 VHYFAIKMMMUCMA-CHWSQXEVSA-N 357.407 -0.205 5 20 FBBD CCOc1cccnc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1058068628 IGIVVRAUPLMCJH-VXGBXAGGSA-N 366.374 -0.304 5 20 FBBD Cn1cc(CC(=O)N2CCC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1074510438 CXGLIWMLQAQCLB-CHWSQXEVSA-N 365.390 -0.903 5 20 FBBD O=C(NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)[C@@H]1[C@H]2COC[C@H]21 1074584526 LHTFRCSJBXDXAU-LBELIVKGSA-N 353.375 -0.986 5 20 FBBD Cc1nccn1CC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074594261 SCUVAYUFWJFWTM-CHWSQXEVSA-N 365.390 -0.674 5 20 FBBD CO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 1326877356 DLMCFYITQFTSFQ-CYBMUJFWSA-N 363.374 -0.114 5 20 FBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCC(C(=O)O)CC2)c1 1598956026 ZBOHVCVSLZQKSY-UHFFFAOYSA-N 367.314 -0.134 5 20 FBBD C[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783516750 OTFUMVMPRPGGES-IAQYHMDHSA-N 367.362 -0.998 5 20 FBBD CN1CC[C@H](N(C)C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1=O 265644723 JRMJWWIHFZUVHR-NSHDSACASA-N 360.326 -0.120 5 20 FBBD CCOC(=O)CN(CC(N)=O)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 271161291 ZIIZJCMMPBYFQC-UHFFFAOYSA-N 373.387 -0.183 5 20 FBBD COC(=O)C[C@H]1C(=O)NCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] 273053796 RKWBNVNORAVQSS-AAEUAGOBSA-N 367.358 -0.302 5 20 FBBD CS(=O)(=O)NCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 277785179 MTEBWULYPXLVCB-UHFFFAOYSA-N 356.364 -0.181 5 20 FBBD O=C1N[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 294676836 XJWUJSIZRWYAER-JTQLQIEISA-N 358.332 -0.902 5 20 FBBD C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 416492735 BGZKTZPPEFWTNZ-NSHDSACASA-N 371.419 -0.082 5 20 FBBD O=C(O)[C@@H]1CN(c2nc(O)c3cc([N+](=O)[O-])ccc3n2)CCS1(=O)=O 424481300 ZLESAJZHDZJCMT-JTQLQIEISA-N 368.327 -0.068 5 20 FBBD CC(=O)NCCCNC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 502822499 DKDXLWDSQLMNBC-UHFFFAOYSA-N 362.346 -0.270 5 20 FBBD CS(=O)(=O)CCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 515927958 FGJKIPJOAWJWHT-UHFFFAOYSA-N 371.371 -0.129 5 20 FBBD Cc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)O)c([N+](=O)[O-])c1 547881951 OULVRFKHOPKNPU-LLVKDONJSA-N 373.387 -0.033 5 20 FBBD O=C(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCCN1 592007821 LAKOKFZKRCNINZ-ZDUSSCGKSA-N 362.390 -0.493 5 20 FBBD C[C@]1(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCNC1 597432504 BYSCFSKFDPSLPA-AWEZNQCLSA-N 371.419 -0.076 5 20 FBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC[C@H](O)CN1CCCC1 600722461 FWCPRZSAULMMTG-ZDUSSCGKSA-N 372.447 -0.081 5 20 FBBD Cn1cc(N2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2=O)cn1 609788641 LOJDAHGPAMGJKU-GFCCVEGCSA-N 360.330 -0.588 5 20 FBBD O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(-n2ccnc2)nc1 997282969 ZFPKBZUBZAYXES-CHWSQXEVSA-N 356.342 -0.127 5 20 FBBD 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O=C1NC(=O)N2CCN(Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])C[C@H]12 1582777757 KDWDEWZSOGFUAV-LLVKDONJSA-N 358.318 -0.489 5 20 FBBD C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1590213012 AICFVEZZBWXFJC-JGVFFNPUSA-N 354.348 -0.081 5 20 FBBD CNS(=O)(=O)N1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 1604896639 FQXZCTGMALJGSH-UHFFFAOYSA-N 368.379 -0.639 5 20 FBBD NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798689683 UGSPRLVBDKPQSY-ILWJIGKKSA-N 364.362 -0.165 5 20 FBBD COCCS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 263660270 HCIHIPFOIQGGOR-UHFFFAOYSA-N 367.405 -0.561 5 20 FBBD O=C(CN1CCS(=O)(=O)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 264057229 NORXUKYKJYRTSA-UHFFFAOYSA-N 357.344 -0.008 5 20 FBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 267698786 HNXKJSJSODGNDM-ZWNOBZJWSA-N 361.358 -0.051 5 20 FBBD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCn1cc([N+](=O)[O-])cn1 269177078 IWAICXLPZQBJFZ-DUBDDPSESA-N 359.342 -0.285 5 20 FBBD 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CC1(C)CCCN[C@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 419462068 IWKWUTQXFJJOQH-LBPRGKRZSA-N 352.395 -0.198 5 20 FBBD COC(=O)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C(=O)OC 441642837 IAUPQRZHPUMHQI-YNEHKIRRSA-N 370.362 -0.421 5 20 FBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 488921473 UURQJPCOOOBEOB-NSHDSACASA-N 368.394 -0.383 5 20 FBBD CNS(=O)(=O)c1ccc(N2CC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 495319259 LXMKLOUQFYIYGZ-VIFPVBQESA-N 364.405 -0.630 5 20 FBBD COc1ccc(NC(=O)CN2CCN(C(=O)CO)CC2)c([N+](=O)[O-])c1 536264832 WCEYSIXDCGFYCF-UHFFFAOYSA-N 352.347 -0.322 5 20 FBBD C[C@H](Cn1cncn1)NC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 552486419 ODGBKTDEMOCXNW-SECBINFHSA-N 372.345 -0.116 5 20 FBBD NC(=O)C[C@H]1COCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598903437 MTIWENZQQUVLNP-LBPRGKRZSA-N 365.346 -0.181 5 20 FBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([C@H]3CCCO3)[C@H]2C(=O)O)n1 600661168 XIAZDCVUYVCYCX-IEBDPFPHSA-N 374.375 -0.029 5 20 FBBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)N1CCS(=O)(=O)CC1 609447964 GPMUZAVBUDVIPN-VIFPVBQESA-N 358.376 -0.691 5 20 FBBD Cc1nc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C(=O)NCCO)n1C 619249848 TXHTWWKLQUTIQR-UHFFFAOYSA-N 351.323 -0.806 5 20 FBBD COC(=O)CN(CC(=O)O)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 737608964 QBUMKVGIXFXTFK-UHFFFAOYSA-N 374.327 -0.302 5 20 FBBD CNC(=O)[C@H](O)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 757692625 HRIRMXXFAANGHE-GFCCVEGCSA-N 372.403 -0.102 5 20 FBBD CS(=O)(=O)N1CCN(CCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 818972811 JVXYVBMCJBFHKE-OAHLLOKOSA-N 372.447 -0.205 5 20 FBBD O=C(NCC1CN(C(=O)c2cccc(-n3cncn3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001809845 ILSKPUJTHHMQCS-DGCLKSJQSA-N 371.357 -0.484 5 20 FBBD COc1nccc(C(=O)N2CC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 1019227018 IEOZRLRUFSEROE-ZYHUDNBSSA-N 361.358 -0.175 5 20 FBBD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnc2[nH]cnc2c1 1057545862 SJECCZHLHOJOIV-ZYHUDNBSSA-N 362.346 -0.826 5 20 FBBD 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COCC(=O)N1CCN(c2nnc(-c3n[nH]cc3[N+](=O)[O-])n2C)CC1 1525752783 YWUYVUSXBWKSQL-UHFFFAOYSA-N 350.339 -0.592 5 20 FBBD COC(=O)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591283991 QDUUPPZUCZSXTK-LURJTMIESA-N 356.320 -0.385 5 20 FBBD O=C(Cn1cncn1)NCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1606623908 QODBSAKJKLBYMF-UHFFFAOYSA-N 358.322 -0.405 5 20 FBBD O=C(O)C[C@@H]1C(=O)NCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 1608690084 YBRKMCGAOXEIGX-WCQYABFASA-N 353.331 -0.390 5 20 FBBD CCN(CC)C(=O)CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 174698656 NMZCCEPQQGJLOX-HNNXBMFYSA-N 368.438 -0.362 5 20 FBBD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 263712268 QNLFWGNOPPSTMZ-CYBMUJFWSA-N 352.395 -0.150 5 20 FBBD CC(=O)N1CCN(C(=O)CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 264632064 UDNPMLKXXRPEMT-UHFFFAOYSA-N 364.362 -0.419 5 20 FBBD CC(C)OCCS(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 267114276 ZBQHMCVVHRWBEU-UHFFFAOYSA-N 374.423 -0.156 5 20 FBBD O=C(CN1CCN2C(=O)NC[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 267738982 CBXJYOKKDKSNAI-VIFPVBQESA-N 363.330 -0.029 5 20 FBBD O=C(NCCCCO)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 278456757 OEUOKRLYVHCFKD-UHFFFAOYSA-N 360.392 -0.055 5 20 FBBD CCCCN(CC(N)=O)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280890814 GTVPJSDRDFXECT-UHFFFAOYSA-N 372.403 -0.013 5 20 FBBD CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 480095881 UZAIPFVGBCKDQI-RYUDHWBXSA-N 373.435 -0.600 5 20 FBBD Cc1cc([N+](=O)[O-])cn(CC(=O)NC(=O)N2CCC[C@H]2C(N)=O)c1=O 489097057 FCUSVSSBRPQIOR-JTQLQIEISA-N 351.319 -0.749 5 20 FBBD Cc1c(C(=O)N(C)CCOCCO)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 506081513 VNFQNJNKXLNMAQ-UHFFFAOYSA-N 361.376 -0.368 5 20 FBBD CN(C)CCNC(=O)Cn1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cn1 525616045 GAUPFVCMZXLJSD-UHFFFAOYSA-N 364.366 -0.696 5 20 FBBD CCn1cc(S(=O)(=O)NCc2cn(CC(=O)OC)nn2)c([N+](=O)[O-])n1 532855758 YAYWPGBBHAABBS-UHFFFAOYSA-N 373.351 -0.946 5 20 FBBD CCn1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])n1 533633532 YCFHWCMWKAXSIW-MRVPVSSYSA-N 363.421 -0.037 5 20 FBBD CCC(CC)(NC(=O)C1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1)C(N)=O 553334882 HMZNMACVRIVFHD-UHFFFAOYSA-N 366.378 -0.590 5 20 FBBD CCn1cc(S(=O)(=O)NCCn2cc(C(=O)OC)nn2)c([N+](=O)[O-])n1 560070198 LDUGGTKNINASTJ-UHFFFAOYSA-N 373.351 -0.832 5 20 FBBD Cc1cc(C(=O)NCC(=O)N2CC[C@@H](CO)[C@H](O)C2)ccc1[N+](=O)[O-] 562410856 QPIXQHKXBPTSHC-GXTWGEPZSA-N 351.359 -0.165 5 20 FBBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H](O)Cn1ccnn1 569942830 YOYYGRIIDSKFAQ-GFCCVEGCSA-N 355.376 -0.291 5 20 FBBD O=C1CNC(=O)N1CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 580305897 ZRQYUXTVGZCDCN-UHFFFAOYSA-N 370.387 -0.100 5 20 FBBD Nc1nc(C(=O)NCc2cccc([N+](=O)[O-])c2)nc(N2CCOCC2)n1 580651636 RQSUSNMHKLAMJU-UHFFFAOYSA-N 359.346 0.129 5 20 FBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H](O)C[C@@H]1CO 611479591 WMOSVMLGAFNGGI-VXGBXAGGSA-N 373.387 -0.783 5 20 FBBD CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 619877513 FZIJTHOVEGNPLT-GFCCVEGCSA-N 370.387 -0.161 5 20 FBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)c1cccc([N+](=O)[O-])c1 750091424 KLFDFQFVYCWMIU-OCCSQVGLSA-N 371.415 -0.137 5 20 FBBD CS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 833738403 XTNLDXHRHLLKCE-UHFFFAOYSA-N 352.346 -0.384 5 20 FBBD O=C(COC1CCOCC1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 961552637 DTWKPNYXULVOMQ-AYRXBEOTSA-N 367.402 -0.236 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc2cccnn12 1043097942 NQFQYXUEKKHSKC-DGCLKSJQSA-N 359.342 -0.697 5 20 FBBD CCc1nnsc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1058034851 IPNYZJNFPOYESD-PSASIEDQSA-N 357.392 -0.684 5 20 FBBD Cc1cc(C(=O)N2CCC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1C 1074500078 JANKWCCYSLIIOV-DGCLKSJQSA-N 365.390 -0.523 5 20 FBBD CCn1nncc1C(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1080845549 RGDGZIZRVZZXOW-GHMZBOCLSA-N 366.378 -0.954 5 20 FBBD Cn1ccc(CNCc2cc(O)nc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)n1 1087256683 FSVILMGPVLAMAK-VXGBXAGGSA-N 361.362 -0.513 5 20 FBBD CCN(C)C(=O)CN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 1105707038 KCMJBNXLYWGALG-HUUCEWRRSA-N 368.434 -0.178 5 20 FBBD Cn1[nH]c(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)nc1=O 1115530604 HBEAGSZFMCBCAC-GHMZBOCLSA-N 352.395 -0.318 5 20 FBBD C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C(=O)O1 1590205938 FQQVIEDLUPCBFO-NKWVEPMBSA-N 368.331 -0.243 5 20 FBBD CNS(=O)(=O)C1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1591219346 DQNPPADCMJAJPF-UHFFFAOYSA-N 368.379 -0.312 5 20 FBBD C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798747495 BRZTXNKLJUJVEN-XHSYRHOGSA-N 352.347 -0.493 5 20 FBBD Cn1ncnc1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 271539451 MCJJSVMEHACEDS-UHFFFAOYSA-N 369.363 -0.177 5 20 FBBD Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)ccc1[N+](=O)[O-] 411332829 ZNJNIKAJJDYLFE-NSHDSACASA-N 364.358 -0.107 5 20 FBBD C[C@@H](CN)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 417703485 RCNRENZWGKYMKE-JTQLQIEISA-N 359.408 -0.233 5 20 FBBD NS(=O)(=O)[C@@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 474078691 IHWWYWGPJAJDFY-LLVKDONJSA-N 356.360 -0.786 5 20 FBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(-n2cnnn2)cc1 492156448 YFQOGNYDPSMGRH-UHFFFAOYSA-N 371.317 -0.478 5 20 FBBD CCn1cc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)c([N+](=O)[O-])n1 533175456 XRIXRJKFAPIBEV-UHFFFAOYSA-N 361.424 -0.112 5 20 FBBD CNc1nccc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1[N+](=O)[O-] 566569831 GCIKELOAIBBCOA-VIFPVBQESA-N 357.392 0.172 5 20 FBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCS(=O)(=O)CC2)c1 592383626 QIHMBOMWOHKEPV-UHFFFAOYSA-N 363.417 -0.397 5 20 FBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 594822805 PIAPXGXYOXAKCS-ZYHUDNBSSA-N 364.401 -0.174 5 20 FBBD O=C(Cn1cnc([N+](=O)[O-])n1)N(CCN1CCOCC1)[C@H]1CCSC1 597676619 AVWHGHLJUDVPDO-LBPRGKRZSA-N 370.435 -0.147 5 20 FBBD O=C1NC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(=O)NC3CC3)CCN2C1=O 768532590 BNNPIWSOFIUZOR-LBPRGKRZSA-N 373.369 -0.366 5 20 FBBD NC(=O)CC[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)O 776488073 RNWRFLGPWWAAGJ-NSHDSACASA-N 359.360 -0.225 5 20 FBBD Cn1[nH]cnc1=NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777669386 LWAPMNSMIXNKQA-UHFFFAOYSA-N 368.331 -0.097 5 20 FBBD CNC(=O)CN(C)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777857658 ZICQYWOYKQIPGN-UHFFFAOYSA-N 372.359 -0.082 5 20 FBBD Cc1nc(C(=O)N2CC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)co1 965373859 CKKSNCIIEORJBM-ZYHUDNBSSA-N 350.331 -0.298 5 20 FBBD O=C(NCCN(CCO)C(=O)c1cnc(C2CC2)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] 1057620145 ZJMUIUALGGCPSS-CHWSQXEVSA-N 363.374 -0.430 5 20 FBBD CCc1nc(C(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 1080856782 UPKMESQGPSCENV-ZYHUDNBSSA-N 366.374 -0.015 5 20 FBBD Cc1cc(=O)n2nc(CNCCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2n1 1157775791 WWHFICZPQZGOPI-NXEZZACHSA-N 366.403 -0.279 5 20 FBBD CN(C)S(=O)(=O)c1ccc(N2CC[C@](O)(C(=O)O)C2)c([N+](=O)[O-])c1 1598275869 MZTWDCJBLCMPOH-CYBMUJFWSA-N 359.360 -0.129 5 20 FBBD Cc1cc(N2CCN3[C@H](CNS3(=O)=O)C2)c(C(=O)O)cc1[N+](=O)[O-] 1600241098 OUZUKOVIDWCDRH-SECBINFHSA-N 356.360 -0.060 5 20 FBBD CNC(=O)NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8633030 IDLKHRRPBMZYJJ-UHFFFAOYSA-N 364.270 -0.810 5 20 FBBD CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 262559125 XQZQWKQTMYZMSG-UHFFFAOYSA-N 367.362 -0.037 5 20 FBBD CCN(CCO)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 274569967 QSQLWIHGAXDOFZ-UHFFFAOYSA-N 364.358 -0.379 5 20 FBBD NS(=O)(=O)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 296124662 RZQOJSYNNJRCJC-UHFFFAOYSA-N 371.368 -0.683 5 20 FBBD Cn1cc(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 299675732 IHSFQVRGEZEACQ-UHFFFAOYSA-N 367.387 -0.035 5 20 FBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 428600687 XMFGTLVWOLTVIX-GFCCVEGCSA-N 350.379 -0.538 5 20 FBBD C[C@H](NC(=O)c1cnc(O)c([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 484116502 PDZXPEIJMMOFTN-QMMMGPOBSA-N 372.359 -0.929 5 20 FBBD CCn1cc(S(=O)(=O)N2CCN([C@@H]3CCNC3)CC2)c([N+](=O)[O-])n1 490036877 ZUUHBIKLCYTMMH-LLVKDONJSA-N 358.424 -0.521 5 20 FBBD C[C@@H]1NCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 520401520 NOQWCHDXALEADH-GWCFXTLKSA-N 356.404 -0.013 5 20 FBBD NC(=O)[C@@H]1CCCN(CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 520532172 GUPXUQHAUYSDFC-GFCCVEGCSA-N 365.390 -0.540 5 20 FBBD CC(C)(C)NS(=O)(=O)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 522137506 HEGCLFBBFAAJJP-UHFFFAOYSA-N 360.392 -0.409 5 20 FBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@]1(CO)CCOC1 542669751 YOZYTSQVJDRLOG-HNNXBMFYSA-N 352.347 -0.338 5 20 FBBD CN(C)S(=O)(=O)c1ccc(N2CCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 561197665 LZBVIPNTSRANIA-UHFFFAOYSA-N 371.419 -0.548 5 20 FBBD NC(=O)c1cc(CNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)on1 562276748 XEOYRDVZYVJFNM-UHFFFAOYSA-N 373.325 -0.117 5 20 FBBD CNS(=O)(=O)N1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 593683832 CBLPIHWLDIXMII-UHFFFAOYSA-N 360.367 -0.115 5 20 FBBD COC[C@H]1C[C@@H](O)CN1C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 593815283 HUVWBEPGMSNYBJ-NXEZZACHSA-N 373.387 -0.228 5 20 FBBD 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COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCNC2=O)c(C)c([N+](=O)[O-])c1 595075528 YOEUNHZLYPOVEL-VIFPVBQESA-N 364.314 -0.367 5 20 FBBD Cc1nn(C)c(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c1[N+](=O)[O-] 600228718 DHCCFJLLKCPWDL-UHFFFAOYSA-N 357.392 -0.113 5 20 FBBD NS(=O)(=O)c1cc(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)co1 761431239 QRODKWIRVFGLRD-UHFFFAOYSA-N 357.300 -0.146 5 20 FBBD Cn1cc(-c2nn[nH]n2)c(=O)n(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1=O 826356573 WZQOPAKIXODHLN-LLVKDONJSA-N 359.302 -0.631 5 20 FBBD C[C@H]1OC(=O)N[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 841395996 ZMWLMXAAHLTWLV-LDYMZIIASA-N 372.359 -0.514 5 20 FBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2nc(C(F)(F)F)n[nH]2)n1 859115139 SYRXJXYHVDQTKZ-UHFFFAOYSA-N 355.258 -0.056 5 20 FBBD COc1ccc(C(=O)NCC(=O)OC[C@@H]2CNC(=O)O2)cc1[N+](=O)[O-] 921827593 OKNNDISSJPRDQY-VIFPVBQESA-N 353.287 -0.015 5 20 FBBD Cn1cc(C(N)=O)cc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 946705603 JTCUUDPWNPDUIF-VXGBXAGGSA-N 363.374 -0.490 5 20 FBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2ccc(-n3cncn3)nc2)C1 954242861 YNTXNJWNQCRDGP-CHWSQXEVSA-N 371.357 -0.390 5 20 FBBD Cn1cc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n(C)c1=O 969243465 KHGZYFNFAIQSDB-NNYUYHANSA-N 363.374 -0.796 5 20 FBBD CC1(C)NC(=O)N(CCN[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1=O 1020140589 OZGIQVDKUZJQCJ-GWOFURMSSA-N 353.379 -0.781 5 20 FBBD CC(C)(C)n1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1042981530 VRULPYVHOMGOMQ-MWLCHTKSSA-N 366.378 -0.999 5 20 FBBD CCc1cnc(O)c(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1057544442 CIXFISGLIRSTRM-DGCLKSJQSA-N 366.374 -0.435 5 20 FBBD CNC(=O)CCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1070114440 PTXLOYXDWFMDDA-VXGBXAGGSA-N 370.406 -0.651 5 20 FBBD CC(=O)CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074584006 XKQZOYOMLMSFTI-CHWSQXEVSA-N 355.391 -0.119 5 20 FBBD CN(C)c1cccc(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)n1 1323375784 CZVUVKGIXYEICN-UHFFFAOYSA-N 361.362 -0.315 5 20 FBBD C[C@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 1324520991 AOXUXWNOQZHVQY-FZMZJTMJSA-N 351.359 -0.138 5 20 FBBD O=C(NCCC(=O)N1C[C@H](O)C[C@H]1C(=O)O)c1ccc([N+](=O)[O-])cc1 1601492194 LXKPMPKSKPNTEJ-NEPJUHHUSA-N 351.315 -0.239 5 20 FBBD O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)N1 46799770 LIQPBFNZXSYEEE-UHFFFAOYSA-N 354.344 -0.043 5 20 FBBD NS(=O)(=O)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 266697710 FECBEDNHZCTTPU-UHFFFAOYSA-N 360.367 -0.220 5 20 FBBD COc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1[N+](=O)[O-] 270861218 QYYNNJYRZLZWJF-SNVBAGLBSA-N 373.387 -0.183 5 20 FBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CN1CCOCC1)C(=O)O 274980739 LONKVIBXUNGJPV-GFCCVEGCSA-N 373.387 -0.033 5 20 FBBD CN(CC(=O)NCCC(=O)NS(C)(=O)=O)c1ccccc1[N+](=O)[O-] 282077297 NPOJVNZGGDCJLQ-UHFFFAOYSA-N 358.376 -0.387 5 20 FBBD COC(=O)[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 473162281 PCBSLOFTHIZCGC-SECBINFHSA-N 359.360 -0.059 5 20 FBBD COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])n[nH]1 556940047 RLOMZXJBHMLDKJ-YJFSRANCSA-N 352.303 -0.117 5 20 FBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 563442755 SYRUGDJBIPWXAR-QWRGUYRKSA-N 370.387 -0.464 5 20 FBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 569129076 LYSLERNUJYQXFR-JTQLQIEISA-N 367.314 -0.274 5 20 FBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 584539212 MITSMNGWGCGVCD-VXGBXAGGSA-N 367.343 -0.937 5 20 FBBD CN(C)S(=O)(=O)N1CCN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])CC1 611598502 QRRLVJIESVPXFJ-UHFFFAOYSA-N 358.380 -0.632 5 20 FBBD O=C(CN1CCS(=O)(=O)CC1)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1 739294838 JJUPWHFPGNTEHX-UHFFFAOYSA-N 357.344 -0.038 5 20 FBBD CN(CC(=O)NCc1cnn(C)n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 805214113 OZGLFIATPYSKGL-UHFFFAOYSA-N 368.375 -0.340 5 20 FBBD NC(=O)c1cc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c[nH]1 943699407 IWJFAXCMHDPSQZ-PRULPYPASA-N 363.374 -0.064 5 20 FBBD COc1cc(O)ncc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954244187 XSTLZMOMEDXWHZ-MWLCHTKSSA-N 350.331 -0.256 5 20 FBBD CN(C)C(=O)c1ccccc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 996507994 HORUPASGFNEEAL-ZIAGYGMSSA-N 360.370 -0.006 5 20 FBBD Cn1ccc(C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O 1017442250 HJNGIEAILLHPJK-ZIAGYGMSSA-N 360.370 -0.061 5 20 FBBD O=C(NCC1(O)CN(C(=O)c2coc(C3CC3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042979284 XRJZQZBBWYHDQY-MWLCHTKSSA-N 350.331 -0.480 5 20 FBBD Cc1cncc(CCC(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 1044166141 NZVZKHNDAGQEBM-ZIAGYGMSSA-N 362.386 -0.323 5 20 FBBD Cc1ccnc(C(=O)NCC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1074583321 CZHZSFDVKVOJLI-VXGBXAGGSA-N 363.374 -0.466 5 20 FBBD COCCN1CCN(c2nnc(C[N+](=O)[O-])n2C[C@@H]2CCOC2)CC1 1344398853 NVPUQYFUXXXONV-ZDUSSCGKSA-N 354.411 -0.140 5 20 FBBD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCC(C(=O)O)CC2)c1=O 1598955220 AAJQMZDIPUNXAK-UHFFFAOYSA-N 367.314 -0.134 5 20 FBBD C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1603829920 CGWFPGLIQIEPDK-ZETCQYMHSA-N 367.347 -0.416 5 20 FBBD Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 52474024 OWHNORHQRFJRMQ-UHFFFAOYSA-N 350.335 -0.874 5 20 FBBD CCOC(=O)C(=O)N1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 265470193 OXEZYEMALBDRDJ-UHFFFAOYSA-N 367.362 -0.276 5 20 FBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1 299609832 MWEKVTLGFJUTEH-UONOGXRCSA-N 369.399 -0.178 5 20 FBBD Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 331869428 SFWGQHUBAIWBGA-UHFFFAOYSA-N 350.379 -0.292 5 20 FBBD CO[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O 451944884 HCNMSGGPJIEXFW-BXKDBHETSA-N 360.344 -0.254 5 20 FBBD Cc1nc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-] 463465004 SDYIEAIEEVWWQI-UHFFFAOYSA-N 355.332 -0.504 5 20 FBBD CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C 487881612 SKRKXLKJCCSSNA-UHFFFAOYSA-N 366.330 -0.119 5 20 FBBD 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CN(Cc1cn(C)nn1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 598223924 IBRFFPPLOGULON-UHFFFAOYSA-N 358.314 -0.022 5 20 FBBD CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 610261744 DSCFKTLPKSCTKX-VIFPVBQESA-N 364.405 -0.308 5 20 FBBD CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 619877514 FZIJTHOVEGNPLT-LBPRGKRZSA-N 370.387 -0.161 5 20 FBBD NC(=O)[C@]1(O)CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 803163218 PMOGFZAUDQZYGK-AWEZNQCLSA-N 352.303 -0.116 5 20 FBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C 920907095 WHEDEQMXBFULIY-VIFPVBQESA-N 355.351 -0.374 5 20 FBBD CN(CC1CCN(C(=O)CCn2cnnn2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 988613874 QGAZUDDELFSJHP-CHWSQXEVSA-N 365.394 -0.575 5 20 FBBD Cn1nnc2ccc(C(=O)NCC3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)cc21 1003510244 AZNWURDVEDBHAG-DGCLKSJQSA-N 358.358 -0.178 5 20 FBBD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc2c(c1)COC2 1057543840 ZUJJSEVNCLSJIM-HUUCEWRRSA-N 363.370 -0.067 5 20 FBBD 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CC(C)NC(=O)CN1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 572355762 HVZOFBFRJMPTRJ-UHFFFAOYSA-N 350.379 -0.265 5 20 FBBD Cc1cc(S(=O)(=O)NC[C@@]2(O)CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 576767572 BMPYHHCMTIYCSM-LBPRGKRZSA-N 364.401 -0.269 5 20 FBBD O=C(O)c1cccc(S(=O)(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c1[N+](=O)[O-] 581887882 IBRNMJCVIWAVEN-OCAPTIKFSA-N 369.311 -0.814 5 20 FBBD COCCOCCN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 593887386 RZPCUJRDSOTENV-UHFFFAOYSA-N 355.395 -0.011 5 20 FBBD COCCS(=O)(=O)CCCn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O 741470968 LDKCMQJDLHCXDT-UHFFFAOYSA-N 362.360 -0.006 5 20 FBBD Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)NCCCN1CCCC1=O 744652627 JFHOYBASQMJZPE-UHFFFAOYSA-N 367.362 -0.228 5 20 FBBD O=Cc1ccc(OCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 778855042 HCJHJMVPGOUMAD-LLVKDONJSA-N 362.298 -0.451 5 20 FBBD CCN(CC(=O)NC(C)C)C(=O)COC(=O)Cn1cc([N+](=O)[O-])cn1 913302767 COLPLPNJIPWFHH-UHFFFAOYSA-N 355.351 -0.292 5 20 FBBD O=C(NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc2nn[nH]c2n1 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FBBD Cn1ccnc(N2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)c1=O 582071517 UZVQGLMWVYFTQB-UHFFFAOYSA-N 359.346 -0.372 5 20 FBBD COC(=O)[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccnn1C 592095345 ZEXUOSICAKLCKJ-JTQLQIEISA-N 355.332 -0.084 5 20 FBBD C[C@H](N)[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 592306651 DQVCHULFBBCSQV-IINYFYTJSA-N 364.358 -0.105 5 20 FBBD Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] 594874556 AMVBJHAAZWHWPA-ZYHUDNBSSA-N 354.388 -0.164 5 20 FBBD CN(Cc1cn(C)nn1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 598227305 USMHWMCUNFKPTQ-UHFFFAOYSA-N 368.375 -0.340 5 20 FBBD CNS(=O)(=O)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 821636065 CWXGMEMYBRAWSU-MRVPVSSYSA-N 368.379 -0.312 5 20 FBBD O=C([C@@H]1CCCO1)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 822917207 PUECYCJRHYGVMC-NSHDSACASA-N 374.361 -0.003 5 20 FBBD COC[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)OC 826149146 ALOYTTWBXXLTPS-QMMMGPOBSA-N 372.363 -0.285 5 20 FBBD O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)[nH]1 826426301 KSEYOPOUWFOBGF-CHWSQXEVSA-N 373.329 -0.073 5 20 FBBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCCN1CCNC1=O 862948668 NBGZGMYZSQZLAH-UHFFFAOYSA-N 362.298 -0.241 5 20 FBBD O=C(NC1CCN(C(=O)c2cn3c(n2)COCC3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 947263779 VMWXTDUEWGWQMR-DGCLKSJQSA-N 363.374 -0.201 5 20 FBBD Cn1nc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1=O 969003622 NIXSNVYIIQDNDG-LSCVPOLPSA-N 361.358 -0.739 5 20 FBBD O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(-n2cnnn2)cc1 973258577 WZYASNMOZXTCCN-HBJVGIJOSA-N 371.357 -0.296 5 20 FBBD NC(=O)Cc1occc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011114343 FPSBIKSZNUSPIR-GHMZBOCLSA-N 350.331 -0.743 5 20 FBBD CS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 1321409792 CTZVMRXYMKJFQJ-UHFFFAOYSA-N 362.385 -0.131 5 20 FBBD COC(=O)C1(NC(=O)c2cc([N+](=O)[O-])cn2C)CCS(=O)(=O)CC1 1327079992 SLKQCRIRXYRVSS-UHFFFAOYSA-N 359.360 -0.217 5 20 FBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC(O)(CO)CC1 1333450536 ISTIKBIXPNPNSO-UHFFFAOYSA-N 365.386 -0.059 5 20 FBBD NS(=O)(=O)c1cccc(N2CCN([C@@H]3CCNC3)CC2)c1[N+](=O)[O-] 1580364108 FHJWXJNTPBYELP-LLVKDONJSA-N 355.420 -0.274 5 20 FBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)NC[C@H]2COCO2)c1 1593475016 STHHCNJYFRWXHO-QMMMGPOBSA-N 356.320 -0.574 5 20 FBBD C[C@@H]1CN(CCC(=O)O)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1594515607 IVCTUARLAINPPX-LLVKDONJSA-N 352.347 -0.236 5 20 FBBD CC(=O)c1cn(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])c(=O)n(C)c1=O 1602980295 DDUDWQHHKHCKGK-UHFFFAOYSA-N 371.313 -0.114 5 20 FBBD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1 1610694577 SJKGJMPSIKGXJB-YPMHNXCESA-N 365.342 -0.453 5 20 FBBD CCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795210358 BIYUJXWZYQBOJQ-PEGIJTEDSA-N 367.362 -0.442 5 20 FBBD Cn1cnc(C(=O)N2CC3(CCCN3C(=O)c3nc[nH]c3[N+](=O)[O-])C2)n1 1843388761 UTYQJEBAAYRLAT-UHFFFAOYSA-N 360.334 -0.423 5 20 FBBD CCN(CC)CC(=O)N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 119542582 KBOSYCFMHJFVPE-UHFFFAOYSA-N 352.395 -0.046 5 20 FBBD Cc1cc(C(=O)NCC(=O)N2CCO[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] 272799248 HIRDZAQGARAIMD-GFCCVEGCSA-N 350.331 -0.654 5 20 FBBD CN(C)c1n[nH]c(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 285948172 IKZSTDPIGLZYGD-UHFFFAOYSA-N 369.363 -0.304 5 20 FBBD COCC1(O)CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 295645427 YUCBRPBHNLDITE-UHFFFAOYSA-N 353.331 -0.447 5 20 FBBD Cc1ccc(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1[N+](=O)[O-] 378545484 FAUSRXGRMMKFOU-UHFFFAOYSA-N 366.359 -0.161 5 20 FBBD O=C(NCCN1CCNCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 418291792 BZJZFLIZORRWAA-UHFFFAOYSA-N 363.422 -0.273 5 20 FBBD Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 483432701 JVOJUOUZEBGCNM-UHFFFAOYSA-N 355.332 -0.049 5 20 FBBD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 519602867 GUZCZIYSYMVURM-SNVBAGLBSA-N 362.390 -0.003 5 20 FBBD CNS(=O)(=O)NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 560437192 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353.364 -0.195 5 20 FBBD C[C@@H](O)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1846173161 DDGADBUVCQJFTP-LLVKDONJSA-N 364.358 -0.659 5 20 FBBD CC(C)(CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)NS(C)(=O)=O 68767781 WVWVSSRXYCIEBX-UHFFFAOYSA-N 366.421 -0.018 5 20 FBBD CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 268365690 LGZCMVNZRXHJHP-JQWIXIFHSA-N 372.403 -0.409 5 20 FBBD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1n[nH]cc1[N+](=O)[O-] 270754611 VKDMDJCSVVFBPW-VIFPVBQESA-N 361.380 -0.464 5 20 FBBD O=C(C(=O)N1CCN(c2ncc([N+](=O)[O-])s2)CC1)N1CCOCC1 276373373 BUYFQCSDSDYSLW-UHFFFAOYSA-N 355.376 -0.441 5 20 FBBD COC(=O)[C@H](NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H](C)O 276799417 SFPUBDSRCSRCLK-NOZJJQNGSA-N 353.331 -0.328 5 20 FBBD O=C(CN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O)N1CCOCC1 289548473 OPNFJOFSVVZYBZ-UHFFFAOYSA-N 355.328 -0.402 5 20 FBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 290586549 ICCSNXHHGUZWIA-JOYOIKCWSA-N 355.372 -0.126 5 20 FBBD CCN(CCO)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 297501761 LMUDPAZYFUMKPP-UHFFFAOYSA-N 351.363 -0.521 5 20 FBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](O)C[C@H]1CO 374095689 TZMYSALGSRZJQI-WDEREUQCSA-N 353.331 -0.114 5 20 FBBD C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)S(N)(=O)=O 507710589 WTMJGTPJGLQYOF-BDAKNGLRSA-N 374.375 -0.414 5 20 FBBD CCCc1[nH]nc(C(=O)N2CCC(NS(=O)(=O)NC)CC2)c1[N+](=O)[O-] 535847640 ZVXPBPYAASOROP-UHFFFAOYSA-N 374.423 -0.071 5 20 FBBD COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 600319424 IOGSOQYXZMLACF-UWVGGRQHSA-N 354.319 -0.256 5 20 FBBD Cn1cc(C[C@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)O)cn1 600654836 HEUKTFKTTJQZGI-SECBINFHSA-N 372.363 -0.716 5 20 FBBD Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 609138265 ZDXPNSHSYGBIGQ-AAEUAGOBSA-N 372.403 -0.839 5 20 FBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCc1nc[nH]n1 609526183 FHSIJNLYVNMNTE-UHFFFAOYSA-N 354.348 -0.302 5 20 FBBD CN(CC(=O)N1CCOCC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 732179993 LOCAKBXBWXDCCV-UHFFFAOYSA-N 362.342 -0.061 5 20 FBBD Cc1cc(C)n(CC(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(=O)n1 955115644 CIEYWBHZOPPMKR-CHWSQXEVSA-N 363.374 -0.805 5 20 FBBD O=C(CCc1cnc[nH]1)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 965404681 QOSOVFBDPPQWCA-CHWSQXEVSA-N 363.374 -0.553 5 20 FBBD CC(C)(C)C(=O)C(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 967191184 DMSLJDDJEFUAPT-CHWSQXEVSA-N 366.418 -0.378 5 20 FBBD COc1cc(OC)nc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 973258001 QEKPMDWWVYQTBB-ZYUZMQFOSA-N 365.346 -0.464 5 20 FBBD O=C(N[C@H]1[C@@H]2CN(C(=O)c3cnc4n3CCOC4)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 976477564 KVCDLANTOGCWDQ-QEGBUVANSA-N 361.358 -0.735 5 20 FBBD O=C(N[C@H]1[C@@H]2CN(C(=O)C3(CF)CCOCC3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 976496303 UBLIAFUSVNOMTG-LBELIVKGSA-N 355.366 -0.009 5 20 FBBD O=C(NCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1)c1cccnc1 994716579 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O=C1NC(=O)N2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]12 489596543 OUDLAVCHUSFRNA-JTQLQIEISA-N 362.298 -0.258 5 20 FBBD C[C@@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(=O)N1c1cnn(C)c1 610308531 YSZREQIQCIKADJ-MFKMUULPSA-N 374.357 -0.200 5 20 FBBD CC(=O)NC[C@@H]1CN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCO1 735484734 AYEHBUVBHUOQEG-GFCCVEGCSA-N 362.342 -0.015 5 20 FBBD CCc1[nH]nc(C(=O)OCC(=O)NC(=O)N[C@H](C)COC)c1[N+](=O)[O-] 795614640 GYUWTOCTXCPPSS-SSDOTTSWSA-N 357.323 -0.102 5 20 FBBD CCn1cc(S(=O)(=O)NN2C(=O)N[C@](C)(CC)C2=O)c([N+](=O)[O-])n1 808310435 QHHWLHZGXVPHDZ-LLVKDONJSA-N 360.352 -0.275 5 20 FBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1OC[C@@H](O)CN1CCOCC1 823629669 DSZJTWHNWOZFKG-NSHDSACASA-N 350.335 -0.153 5 20 FBBD O=[N+]([O-])c1cnc(NC[C@H](O)CN2CCOCC2)c(-c2nn[nH]n2)c1 823652308 ZNRONFYFQCHIAJ-JTQLQIEISA-N 350.339 -0.725 5 20 FBBD C[C@@H](N)CN(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 861584174 NNFDPYBYXFTABA-SNVBAGLBSA-N 359.408 -0.138 5 20 FBBD 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372.338 -0.132 5 20 FBBD CN1CCN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)C[C@@H](C(=O)O)C1 1606244654 HRWLWZNSLGHMGH-VIFPVBQESA-N 359.360 -0.063 5 20 FBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](CN2CCOCC2)C1 266254298 SQZNAAOYVHOVFE-CYBMUJFWSA-N 350.375 -0.063 5 20 FBBD Cc1c(C(=O)N(C)CC(=O)N(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 266869834 XAEZCUGRBZRGOE-UHFFFAOYSA-N 358.376 -0.289 5 20 FBBD CCCNC(=O)CN(C)C(=O)Cn1cc(C(=O)OC)cc([N+](=O)[O-])c1=O 298403710 JWAAWCRNJYZZQY-UHFFFAOYSA-N 368.346 -0.472 5 20 FBBD CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 488364916 XDSNQWGJNFGAEP-JTQLQIEISA-N 360.396 -0.493 5 20 FBBD CNS(=O)(=O)c1ccc(NC[C@@H](C)S(N)(=O)=O)c([N+](=O)[O-])c1 502785658 REEVXONMFAKHRD-SSDOTTSWSA-N 352.394 -0.408 5 20 FBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(CCC(F)(F)F)C[C@H](O)CO 533830593 HKWQFXZCRUBRAU-JTQLQIEISA-N 367.280 -0.109 5 20 FBBD CCn1cc(S(=O)(=O)N[C@H](C)CS(=O)(=O)CC)c([N+](=O)[O-])n1 536005215 ZKDFEDFXRAHOTF-MRVPVSSYSA-N 354.410 -0.087 5 20 FBBD CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] 577190819 SZEHWJCZPXYFSA-SECBINFHSA-N 357.392 0.116 5 20 FBBD CN(C)CC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 593903683 JXEKTZWBCZRBLV-CYBMUJFWSA-N 373.435 -0.732 5 20 FBBD CC1(C)NC(=O)N(CC(=O)OCCn2cc([N+](=O)[O-])ccc2=O)C1=O 761339692 YNTWUNCZJWPBCL-UHFFFAOYSA-N 352.303 -0.370 5 20 FBBD NC(=O)C1=NO[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 793900417 FGEGBOMTROHXAN-QMMMGPOBSA-N 350.287 -0.274 5 20 FBBD CNc1nccc(C(=O)NCCS(=O)(=O)N2CCOCC2)c1[N+](=O)[O-] 847408641 BOTCEABRDZXVJB-UHFFFAOYSA-N 373.391 -0.577 5 20 FBBD CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-] 919506558 DKVZOSSKHCFVJZ-UHFFFAOYSA-N 366.330 -0.363 5 20 FBBD O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nccn1)[C@@H]1C[C@H]1[N+](=O)[O-] 959732369 FAOANBMXXVXHNL-XVIXHAIJSA-N 362.390 -0.171 5 20 FBBD COc1cc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]3C2)nn1C 961555348 WPRSRBSAUPOFLG-LSCVPOLPSA-N 363.374 -0.376 5 20 FBBD CCn1cc(C(=O)N2CC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)nn1 965376824 UYSZKLNKUXSEDT-ZYHUDNBSSA-N 364.362 -0.983 5 20 FBBD Cn1cc(C(=O)N2CC(N3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)C2)cn1 967214804 HUKZSSGRIAKVQL-ZIAGYGMSSA-N 362.390 -0.946 5 20 FBBD COCCn1nccc1C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 976494148 RAIUAEDWJJBIFT-BLUODKFWSA-N 363.374 -0.619 5 20 FBBD O=C(NC1CN(C(=O)c2cnn(-c3ccccc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991288332 YEKUFZGIAYQTLV-TZMCWYRMSA-N 356.342 -0.127 5 20 FBBD COCCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 1044319335 GAEHKRODZJKFME-VXGBXAGGSA-N 355.391 -0.452 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1n[nH]c2ccccc12 1046477514 DLUSGXGAGSHSHA-ZYHUDNBSSA-N 359.342 -0.469 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc2c([nH]1)CCCC2 1046570699 KPBFISVPPFBAPL-BXUZGUMPSA-N 362.386 -0.138 5 20 FBBD O=C(NCC1(NC(=O)[C@@H]2[C@H]3COC[C@H]32)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1070207067 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Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 283412323 GAZMGEQQBNOURO-GFCCVEGCSA-N 371.357 -0.463 5 20 FBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[C@]12CCNC2 364573091 ALHJWLIFRVTEJE-HIFRSBDPSA-N 368.415 -0.011 5 20 FBBD CC(=O)NCC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421996666 VTCZTZAHEOIVOQ-UHFFFAOYSA-N 358.376 -0.532 5 20 FBBD C[C@H]1CCNC[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 423575011 YASBXWFBELPTHE-WDEREUQCSA-N 356.404 -0.013 5 20 FBBD O=C(O)[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCS1(=O)=O 424252805 KHZMBISNJZBZRX-LLVKDONJSA-N 358.328 -0.316 5 20 FBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F 487552715 PRDLBVHGAIRRPO-LLVKDONJSA-N 357.269 -0.085 5 20 FBBD O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccn(CC(=O)N2CCOCC2)n1 522690688 WOCMTXSTMIWGPX-UHFFFAOYSA-N 363.334 -0.515 5 20 FBBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)NC[C@H]1COCCO1 556580291 GHYAJYSVWCRKPO-JTQLQIEISA-N 363.330 -0.381 5 20 FBBD COC(=O)[C@@H](CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)OC 572728955 IKOAEJHJYSXFOE-GFCCVEGCSA-N 368.346 -0.302 5 20 FBBD Cn1cc(N2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2=O)cn1 609788642 LOJDAHGPAMGJKU-LBPRGKRZSA-N 360.330 -0.588 5 20 FBBD CN(C)S(=O)(=O)N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 611527277 GHSPPDHCHQDVIE-UHFFFAOYSA-N 357.392 -0.259 5 20 FBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CC(C(N)=O)=NO1 793901869 KZCZCBNMYCILBG-RKDXNWHRSA-N 367.366 -0.426 5 20 FBBD CN(C(=O)Cn1nnc2c1CCCC2)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 955354774 BLQHDNZEUXHCBG-BXUZGUMPSA-N 362.390 -0.509 5 20 FBBD O=C(c1ccnc(O)c1)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 965376938 XIVKFZCYRHJRIP-VXGBXAGGSA-N 362.342 -0.494 5 20 FBBD Cc1cncc(CCC(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1057543599 OWKDTFZWGXVQQK-HUUCEWRRSA-N 364.402 -0.075 5 20 FBBD O=C(NCCN(CCO)C(=O)c1cnn2ccccc12)[C@@H]1C[C@H]1[N+](=O)[O-] 1058369800 SJACTAMQKLWZOD-BXUZGUMPSA-N 361.358 -0.450 5 20 FBBD COc1ccc(CNC(=O)C(=O)NCCNC(=O)C2CC2)cc1[N+](=O)[O-] 1117087697 FAURPMUNIHJCRF-UHFFFAOYSA-N 364.358 -0.138 5 20 FBBD NC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1 1799481749 YBKMPSQFXNBYLF-ILWJIGKKSA-N 364.362 -0.157 5 20 FBBD COCCCS(=O)(=O)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 270880575 OUBPOHMXKVVTDA-UHFFFAOYSA-N 361.380 -0.558 5 20 FBBD Cc1nc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1[N+](=O)[O-] 272235727 KHACFNJAKORXOZ-OLZOCXBDSA-N 356.404 -0.422 5 20 FBBD CC(=O)N1CCN(CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 272565379 SNPQEJCGSSPGCD-UHFFFAOYSA-N 371.419 -0.182 5 20 FBBD CC(=O)N1CC(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 276506403 YUHGSCATYZXIHJ-UHFFFAOYSA-N 370.387 -0.532 5 20 FBBD NCCCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 417703140 QTVOJIGURRAADL-UHFFFAOYSA-N 359.408 -0.089 5 20 FBBD O=C(NCCn1cccn1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 422137550 QBEMVKJOCZXQAB-UHFFFAOYSA-N 373.373 -0.349 5 20 FBBD CC(C)(O)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 422362568 SSXMQBNAJRWTAU-UHFFFAOYSA-N 365.390 -0.084 5 20 FBBD COc1ccc(C(=O)NCC(=O)N[C@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] 468666247 IJKXQRPBESLORU-YPMHNXCESA-N 367.358 -0.011 5 20 FBBD NS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 472724012 GSIFSDQZMJIFLL-NSHDSACASA-N 374.350 -0.048 5 20 FBBD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCC(=O)N2CCCC2)c1=O 497669500 CKLJEMBWRJEEQC-UHFFFAOYSA-N 366.330 -0.718 5 20 FBBD NC(=O)c1cn(C2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)nn1 502012870 FXMPQXLQSSXVMK-UHFFFAOYSA-N 370.322 -0.330 5 20 FBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCCOCCO 508074654 DHLKXQWPNRYZPR-UHFFFAOYSA-N 353.331 -0.165 5 20 FBBD CN1C(=O)CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O 560471970 YXXWBDHMMGYVEG-UHFFFAOYSA-N 368.733 -0.195 5 20 FBBD CN1CCN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 566091788 WVYXNNYYKHUHHF-HNNXBMFYSA-N 363.418 -0.303 5 20 FBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CN(C)S(=O)(=O)N(C)C 568013596 GZNOVPPKOSQUIL-UHFFFAOYSA-N 360.392 -0.042 5 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355.332 -0.049 5 20 FBBD CCOC(=O)[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 595940642 SOLIZGVOADYTLA-ZDUSSCGKSA-N 364.358 -0.230 5 20 FBBD COC[C@](C)(CO)NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 613534704 RMGBVAUTYPGUTC-HNNXBMFYSA-N 355.347 -0.153 5 20 FBBD O=C(CCn1cc[nH]c(=O)c1=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 736173932 LGJBIYYGWBLORQ-LLVKDONJSA-N 374.357 -0.057 5 20 FBBD CCN1C(=O)[C@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CCN2C1=O 821239632 BUDURJLRFDASRM-SECBINFHSA-N 373.333 -0.357 5 20 FBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1OC[C@H](O)CN1CCOCC1 823629668 DSZJTWHNWOZFKG-LLVKDONJSA-N 350.335 -0.153 5 20 FBBD Cn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)c(=O)n(C)c1=O 831867076 UITIGPDLNQFLON-UHFFFAOYSA-N 358.307 -0.068 5 20 FBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(Cc2nnnn2-c2ccccc2)CC1 839645138 WGOWWOCQFUWOLT-ZIAGYGMSSA-N 357.374 -0.028 5 20 FBBD CNC(=O)c1cccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 974115015 NYTQFQPMBMWFCM-BSTOTGJRSA-N 361.358 -0.517 5 20 FBBD O=C(NC1CN(C(=O)c2cc(-n3cccn3)ccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991292879 DGLDDNCPWDGBOT-TZMCWYRMSA-N 356.342 -0.127 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccnn1C(F)F 1043205450 BURYBOLMVZDHCK-VXNVDRBHSA-N 359.289 -0.754 5 20 FBBD O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1cn2c(n1)COCC2 1062991113 YFASGJZKAUHGDB-ZYHUDNBSSA-N 363.374 -0.153 5 20 FBBD CCn1ccnc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1070094356 LESTXXQGTJXAQG-VXGBXAGGSA-N 365.390 -0.037 5 20 FBBD O=C(CCc1cnn[nH]1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1070258988 SMUWKVOKTDOBPX-VXGBXAGGSA-N 366.378 -0.816 5 20 FBBD O=C(CC1CCOCC1)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1080784665 GHPRMMYXRJUDME-ZIAGYGMSSA-N 369.418 -0.062 5 20 FBBD Cc1cc(C(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cnn1 1080856604 MSUBXFHUZNLJTQ-CHWSQXEVSA-N 363.374 -0.466 5 20 FBBD O=C(CNCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCCOc1ccccc1 1157775231 LPHQCDNUSCYLRT-HUUCEWRRSA-N 364.402 -0.057 5 20 FBBD COC(=O)CN(C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 1320395648 XRQMBFDJGXXXTK-UHFFFAOYSA-N 352.347 -0.454 5 20 FBBD Cc1nc(N2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)n[nH]1 1592328722 YOWGENUWNJMHKE-UHFFFAOYSA-N 357.338 -0.077 5 20 FBBD O=C(Cn1ccc([N+](=O)[O-])n1)NCCNc1ncccc1-c1nn[nH]n1 1592937579 FLLRHKVAUVUUSB-UHFFFAOYSA-N 358.322 -0.405 5 20 FBBD O=C(COCCO)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000198 ZOWYGDIOOGPLCD-UHFFFAOYSA-N 367.362 -0.996 5 20 FBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@H](C(N)=O)C1 50859292 LDTOOCVNIDJXJQ-SKDRFNHKSA-N 350.331 -0.574 5 20 FBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 440266955 DDRVMWWQOOLCFL-JTQLQIEISA-N 356.360 -0.269 5 20 FBBD Cn1ccnc1C(=O)c1ccc(N2CCN[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 480420983 QOBAWFWYSADQKO-NSHDSACASA-N 358.358 -0.177 5 20 FBBD COc1ccc(C(=O)NCC(=O)N[C@@H]2CC[S@@](=O)C2)cc1[N+](=O)[O-] 531358957 ZOIFXIMDZBVIBC-VKTRGTBVSA-N 355.372 -0.030 5 20 FBBD NC(=O)Cn1cc(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cn1 535315117 PZOAPNAJWZZINC-UHFFFAOYSA-N 372.341 -0.200 5 20 FBBD COc1ccc(S(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] 539116935 KSNKPHFULYUGRA-SECBINFHSA-N 365.389 -0.345 5 20 FBBD NC(=O)c1cccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] 571351545 DGTPKILDRBGHKM-UHFFFAOYSA-N 361.358 -0.379 5 20 FBBD COC(=O)c1ccnc(NCCCN2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] 599130501 AIRLZYBDNDXFJT-NSHDSACASA-N 351.363 0.528 5 20 FBBD NC(=O)[C@@H]1CCCN1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 599396017 OPHSYLUBWOZPCY-NSHDSACASA-N 357.392 -0.392 5 20 FBBD COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)c1c([N+](=O)[O-])cnn1C 600334755 XHONRKJZFYHXIU-BDAKNGLRSA-N 354.319 -0.105 5 20 FBBD COC(=O)Nc1ccc(S(=O)(=O)N(CCO)CCO)cc1[N+](=O)[O-] 778044532 MVQHRSMBUUBKSV-UHFFFAOYSA-N 363.348 -0.252 5 20 FBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(=O)CN(C)S(C)(=O)=O 789478596 FIWCSJLYLDBSEQ-UHFFFAOYSA-N 365.389 -0.400 5 20 FBBD C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H]1O 824992696 NNVMCGDUMGFSIK-IONNQARKSA-N 354.348 -0.224 5 20 FBBD CNC(=O)NC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 858683291 COFFOUFRKJQKJV-SNVBAGLBSA-N 373.391 -0.624 5 20 FBBD COC[C@@H](OC)C(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861405059 INNFBVIUVGBZLU-LLVKDONJSA-N 362.360 -0.234 5 20 FBBD NC(=O)CC(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 952616760 DQSBSEMNHYIKEX-CHWSQXEVSA-N 352.391 -0.243 5 20 FBBD O=C(CCc1cn[nH]c1)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 965389581 SZQZGGHAXUUJPO-CHWSQXEVSA-N 363.374 -0.553 5 20 FBBD Cn1ccc(=O)c(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)c1 969472058 LZQRXNIBIZEZSQ-CIQGVGRVSA-N 360.370 -0.134 5 20 FBBD CNC(=O)c1cccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 973254659 NYTQFQPMBMWFCM-VWMGYNLJSA-N 361.358 -0.517 5 20 FBBD O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnn2c(=O)cc[nH]c12 973256054 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CS(=O)(=O)c1ccc(C(=O)N2CC(N3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 593855597 KOBOQYHPQIXMND-LLVKDONJSA-N 369.399 -0.111 5 20 FBBD CN(C)CC[C@@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 593904430 WOLDCBZNPBKTRU-CYBMUJFWSA-N 373.435 -0.732 5 20 FBBD O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C(=O)N1 593921381 XCHQBTKXIWGNDG-LLVKDONJSA-N 368.371 -0.684 5 20 FBBD CNC[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 595263622 HTHZBIINGNWNRL-JTQLQIEISA-N 359.408 -0.220 5 20 FBBD Cc1nn(C)c(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c1[N+](=O)[O-] 597734812 DKBCFQIQBIOQNU-SECBINFHSA-N 360.396 -0.575 5 20 FBBD NC(=O)c1ccc(SCC(=O)N2C[C@@H](O)C[C@@H](O)C2)c([N+](=O)[O-])c1 610669337 SXJBVENCWJKINA-AOOOYVTPSA-N 355.372 -0.260 5 20 FBBD CCOC(=O)[C@H](CO)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 611862279 WTLGQHMZYCQHTN-LBPRGKRZSA-N 368.346 -0.566 5 20 FBBD Cc1ccc(S(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1C(N)=O 732618062 VLEUGCZMVURVRD-UHFFFAOYSA-N 367.343 -0.296 5 20 FBBD CNC(=O)[C@H](O)CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 763701645 VOXVPOZKXUDUAW-LLVKDONJSA-N 366.330 -0.494 5 20 FBBD CCCNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 796272541 CZJVFQZOMLGHFS-UHFFFAOYSA-N 359.360 -0.058 5 20 FBBD Cn1nnc(COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 799478969 HDRDKISSAPQVMV-UHFFFAOYSA-N 370.347 -0.470 5 20 FBBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@]1(O)CCS(=O)(=O)C1 849395339 CNSSGQCQTROQGA-NSHDSACASA-N 368.364 -0.438 5 20 FBBD CN(C)c1cnc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 978841477 LRZZMDCRSJOHIO-LSCVPOLPSA-N 362.390 -0.168 5 20 FBBD O=C(Cc1ccncc1Cl)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1046690259 BJSLNASEAFUETB-ZYHUDNBSSA-N 368.777 -0.368 5 20 FBBD Cc1nc(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(=O)[nH]c1C 1067389923 VOAPLGLSZKRAMK-VXGBXAGGSA-N 365.390 -0.028 5 20 FBBD Cc1cc(CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)n[nH]1 1070113348 SQRFWPIXEBSBPI-CHWSQXEVSA-N 365.390 -0.293 5 20 FBBD 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CS(=O)(=O)NCCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 31215899 WWZODDPIKJFSHO-UHFFFAOYSA-N 372.403 -0.230 5 20 FBBD CCOC(=O)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265398646 WHPXIKYKDYBQLV-UHFFFAOYSA-N 359.360 -0.058 5 20 FBBD O=C(NCCC(=O)N1CCN2C(=O)NC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 267862398 SIENADLJCCQBNQ-CYBMUJFWSA-N 361.358 -0.049 5 20 FBBD CS(=O)(=O)NCCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 270956258 WNDCMQRVOGQGCI-UHFFFAOYSA-N 365.433 -0.004 5 20 FBBD Cc1cc(C(=O)NCC(=O)NCC(=O)N2CCOCC2)ccc1[N+](=O)[O-] 272951917 QLFZBZFULPYDEN-UHFFFAOYSA-N 364.358 -0.392 5 20 FBBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCCN1 288824743 BATLVIUXVOZHCS-UHFFFAOYSA-N 372.403 -0.043 5 20 FBBD COCCN1C(=O)C[C@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 414117181 YXBYERGJPJFFNW-ZDUSSCGKSA-N 363.374 -0.114 5 20 FBBD O=C(NC[C@@H]1CCCO1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 420600635 FPDGHMFAAXMOAE-LBPRGKRZSA-N 363.374 -0.066 5 20 FBBD COc1cc(OCC(=O)N(C)CC(=O)N2CCNCC2)ccc1[N+](=O)[O-] 495741211 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5 20 FBBD O=C(COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC1CC1 796274560 MQQHDFPGZYZJIS-UHFFFAOYSA-N 371.371 -0.058 5 20 FBBD C[S@@](=O)CCN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 821942799 RJAYMVJPRVRRBS-RUZDIDTESA-N 366.407 -0.330 5 20 FBBD Cc1nn(C)c(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] 920664132 VDBKPIZHHYENME-VHSXEESVSA-N 367.362 -0.094 5 20 FBBD NC(=O)C1(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)CC1 952713575 PVNLPKYDEKSNJI-NNYUYHANSA-N 350.375 -0.491 5 20 FBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cnc3[nH]c(O)nc3c2)C1 954241888 NVVCDPZDXUPZEG-MWLCHTKSSA-N 360.330 -0.389 5 20 FBBD O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cccn2c(O)nnc12 973253012 QJTUHCWNPJQBDJ-YJFSRANCSA-N 360.330 -0.523 5 20 FBBD CCN(CC)S(=O)(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 1119049173 WNGGNYMFSQQEBS-UHFFFAOYSA-N 360.396 -0.338 5 20 FBBD O=C(O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1574647697 PUGILIQYEXHXCD-WCTZXXKLSA-N 353.253 -0.226 5 20 FBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)c1 1582803651 PGPPILNZXRXARX-JZYVYDRUSA-N 352.332 -0.302 5 20 FBBD O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1593320696 AQSYILQOEHWIOK-UHFFFAOYSA-N 370.333 -0.145 5 20 FBBD O=C1NC[C@H](O)CC12CCN(c1nccc(-c3nn[nH]n3)c1[N+](=O)[O-])CC2 1593406743 YIDBEKSHNDBOMV-SECBINFHSA-N 374.361 -0.363 5 20 FBBD O=C(O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 1601941742 ZTIWWUAHAFJFGH-NSHDSACASA-N 355.278 -0.086 5 20 FBBD CO[C@H](CN)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 262954535 VUBMWEIHHIUOIP-NSHDSACASA-N 360.392 -0.647 5 20 FBBD COc1ccc(C(=O)NCC(=O)N(C)CC(C)(CO)CO)cc1[N+](=O)[O-] 273040209 HLTZSQXPKXKVOY-UHFFFAOYSA-N 369.374 -0.218 5 20 FBBD CS(=O)(=O)N[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 273511607 UODSWEVZGQNBFG-QMMMGPOBSA-N 364.405 -0.630 5 20 FBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C(=O)O)[C@@H](C)O 274875244 BQMBMOKCSATNTF-LHLIQPBNSA-N 362.316 -0.506 5 20 FBBD NS(=O)(=O)CCOCCNC(=O)CCNc1ccccc1[N+](=O)[O-] 288261416 PQLNZYKQHDYHAJ-UHFFFAOYSA-N 360.392 -0.182 5 20 FBBD CNC(=O)c1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 492633261 UVXUPGWHTHASPY-UHFFFAOYSA-N 360.330 -0.094 5 20 FBBD NC(=O)[C@H]1CCCN(CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 520532173 GUPXUQHAUYSDFC-LBPRGKRZSA-N 365.390 -0.540 5 20 FBBD COCC[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(N)=O 538417391 OLYVBYAPBDIADU-SECBINFHSA-N 364.314 -0.803 5 20 FBBD O=C(CO)N1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 541330142 NPQQQMFPJBLWDD-UHFFFAOYSA-N 357.388 -0.495 5 20 FBBD Cc1cc(NC(=O)CN2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)no1 548084305 CIKJVBILPZXUDV-UHFFFAOYSA-N 363.334 0.011 5 20 FBBD O=C(C(=O)N1C[C@@H]2CNC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 566090486 GBVUQPRDNKVXRN-BETUJISGSA-N 374.401 -0.684 5 20 FBBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CCNCC2)C1 570514943 XFSRWEZGPJCFNU-UHFFFAOYSA-N 368.415 -0.417 5 20 FBBD 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COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCNC(=O)C1 753446661 NTDOPBMWDLCTBU-UHFFFAOYSA-N 352.303 -0.699 5 20 FBBD COCCn1ccc(C(=O)NS(=O)(=O)c2cccnc2[N+](=O)[O-])n1 851328399 GIKUWBSLNSJSFP-UHFFFAOYSA-N 355.332 -0.049 5 20 FBBD O=C(Cn1cnnc1O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 952701847 QHBNDYBOSVWDQX-WRWGMCAJSA-N 364.362 -0.759 5 20 FBBD O=C(c1cc2n(n1)CCO2)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 961549571 ZHNXBACAJVFOCH-LSCVPOLPSA-N 361.358 -0.529 5 20 FBBD O=C(c1cscn1)N1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 967216008 LBFKQHCENWTNKC-DGCLKSJQSA-N 365.415 -0.223 5 20 FBBD COc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1C 969001290 IQKPMKYBBUHMKB-LSCVPOLPSA-N 363.374 -0.091 5 20 FBBD CC(=O)NCC(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1053559432 AWZKPUQNXHDFKQ-XVIXHAIJSA-N 352.391 -0.327 5 20 FBBD NC(=O)NCCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2CC1 1074330602 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5 20 FBBD CN(CCNS(C)(=O)=O)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1609276252 XIBCDSLNRCXAGD-UHFFFAOYSA-N 355.380 -0.244 5 20 FBBD CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1847763969 AHPJSLZPOBZJIL-RYUDHWBXSA-N 364.362 -0.871 5 20 FBBD CS(=O)(=O)NCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 45588892 IVIXELRZUBGAPW-UHFFFAOYSA-N 371.419 -0.024 5 20 FBBD COc1ccc(NC(=O)CCN2CC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 276475841 RFYWSYJLZRLXFP-HNNXBMFYSA-N 352.347 -0.146 5 20 FBBD C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 288689544 ZDCOLVQCDFXGQU-MRXNPFEDSA-N 374.357 -0.189 5 20 FBBD CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 320922606 QOYJOZRDBPZELL-UHFFFAOYSA-N 365.389 -0.434 5 20 FBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(S(C)(=O)=O)CC1 368785152 WVQQTGJKJJFJNH-UHFFFAOYSA-N 359.408 -0.016 5 20 FBBD N[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 417699989 LMYDNWLMTGTKHG-JTQLQIEISA-N 357.392 -0.384 5 20 FBBD C[C@@H](CN)NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 420030519 PVPVTOUXCFQKEX-NSHDSACASA-N 363.374 -0.657 5 20 FBBD COc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)ccc1[N+](=O)[O-] 424245567 PGARPHTTWFTJFN-LLVKDONJSA-N 358.328 -0.073 5 20 FBBD COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H](C)O 470656874 JIBLEXWKANBAIP-RDDDGLTNSA-N 360.344 -0.350 5 20 FBBD NC(=O)N1CC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 509925531 OJWPAZVDYXZJRP-SECBINFHSA-N 363.330 -0.411 5 20 FBBD CN(C)C(=O)CN(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 516362398 OXSHYKAJMGNHSR-UHFFFAOYSA-N 372.403 -0.190 5 20 FBBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CCNCC1 570617747 PZIYLWWJELFMDY-UHFFFAOYSA-N 351.363 -0.295 5 20 FBBD C[C@H](CN)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 579573722 SGLKDIXGZZQFKC-LLVKDONJSA-N 350.379 -0.651 5 20 FBBD CN(C)CCN(CCOCCO)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593553769 PMIHDRVOFROFEC-UHFFFAOYSA-N 362.408 -0.449 5 20 FBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](Cc2ccccn2)C(=O)O)n1 600650705 AMZFQFJWSYWKOO-VIFPVBQESA-N 369.359 -0.055 5 20 FBBD COc1cc(C(=O)OCC(=O)N2CCNC(=O)C2)c([N+](=O)[O-])cc1OC 800500811 GRJFUDUTUXJIGW-UHFFFAOYSA-N 367.314 -0.273 5 20 FBBD Cn1cnc(C(=O)N[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 963965301 PJKUQHLKUHRIHO-DDHJBXDOSA-N 350.379 -0.115 5 20 FBBD CCc1c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nnn1CC 973255451 AVZPWKCFQJTOLV-DNRKLUKYSA-N 350.379 -0.097 5 20 FBBD O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc2c(cn1)OCCO2 974115710 QZNVKAPIFOVRRR-DTHBNOIPSA-N 362.342 -0.105 5 20 FBBD CNC(=O)Cc1noc(CN2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 981137676 CVNKBULMOAYJAP-GHMZBOCLSA-N 366.378 -0.942 5 20 FBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(CCCN(CCN3C(=O)CNC3=O)C2)C1 981763075 DRGBSJNPAXGZAJ-VXGBXAGGSA-N 365.390 -0.872 5 20 FBBD Cn1cc(C(=O)N2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)nn1 1017160262 WKOQSYOXNGGTQC-DGCLKSJQSA-N 362.390 -0.019 5 20 FBBD Cn1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1C1CC1 1042981518 VGWWTHMNKBIQNQ-ZYHUDNBSSA-N 363.374 -0.734 5 20 FBBD CCOc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccn1 1046337425 RIMUGPJTSZWKIQ-VXGBXAGGSA-N 364.358 -0.551 5 20 FBBD Cc1nc[nH]c1CC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074657376 KQNUUWRYRWHTLN-DGCLKSJQSA-N 365.390 -0.604 5 20 FBBD Cc1cc(CNCc2cn(C3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)nn2)no1 1093318961 TUEZDSYVBCSRIN-ZIAGYGMSSA-N 361.362 -0.087 5 20 FBBD CC(C)(C)N1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1261165115 KZMRRBMYXWSJIJ-UHFFFAOYSA-N 352.395 -0.150 5 20 FBBD C[C@H]1CCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1332640515 UBEHACJBFWPHAT-JTQLQIEISA-N 370.387 -0.390 5 20 FBBD Cn1c(C[N+](=O)[O-])nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1348339731 SULMYEDGRDJPCT-UHFFFAOYSA-N 351.411 -0.274 5 20 FBBD O=C1NCCn2c(CNc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])nnc21 1593409589 BXAFUPOQCWNKMX-UHFFFAOYSA-N 356.306 -0.278 5 20 FBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCN2)c1-c1nn[nH]n1 1593485999 XWNAUWWYXAIZIS-MRVPVSSYSA-N 353.364 -0.195 5 20 FBBD C[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1783518993 INVLPDVXFDKPCP-OTYXRUKQSA-N 353.335 -0.858 5 20 FBBD C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792356639 AFDPVLBZWWPHLH-ORXSELOVSA-N 353.331 -0.228 5 20 FBBD CNc1c(C(=O)NCC(=O)NCCN2CCOCC2)cccc1[N+](=O)[O-] 462995026 WGQPGNHVCLPHGE-UHFFFAOYSA-N 365.390 -0.185 5 20 FBBD Cc1cc(N2CC[C@H](NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)n(C)n1 567464006 BCTVITXBUAEENL-STQMWFEESA-N 363.378 -0.411 5 20 FBBD C[C@H]1CNCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 577620772 PKDBPSGQUYQZFM-LBPRGKRZSA-N 362.390 -0.541 5 20 FBBD Cn1c(=O)nc(O)c2cc(C(=O)OCCn3cc([N+](=O)[O-])cn3)cnc21 748106034 MALZRQYBNDJYHY-UHFFFAOYSA-N 360.286 -0.004 5 20 FBBD Cc1c(C(=O)N(CCO)S(=O)(=O)c2ccccc2[N+](=O)[O-])nnn1C 861407024 IKLNFCWLIKXSFR-UHFFFAOYSA-N 369.359 -0.145 5 20 FBBD O=C(CCc1cnn[nH]1)N1C[C@@H]2CCC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 952803737 RPXOZMUYXQDKDL-XJFOESAGSA-N 362.390 -0.006 5 20 FBBD NC(=O)c1csc(C(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)c1 976476050 AFTNDEZRMSKRIR-GPTQDWHKSA-N 364.383 -0.301 5 20 FBBD O=C(N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21)c1ccnc2[nH]nnc12 976903040 OCSDWRNUAVBLPA-NZFPMDFQSA-N 357.330 -0.795 5 20 FBBD CCn1nnc(C)c1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 979755200 ISUPXGMNDGYKBQ-DDHJBXDOSA-N 350.379 -0.104 5 20 FBBD O=C(CCc1cnn[nH]1)N1CC2(CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1010876948 NVCLDWLUXKOKSC-CHWSQXEVSA-N 362.390 -0.147 5 20 FBBD Cn1[nH]c(CNC[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1=O 1050325519 GASUAWXMBZQHPE-DDHJBXDOSA-N 352.395 -0.462 5 20 FBBD O=C(Cc1cc[nH]n1)NCCN1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1055550228 ZGKCHTVOFOJNKV-ZIAGYGMSSA-N 364.406 -0.686 5 20 FBBD Cn1cc(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)nn1 1118364178 JLILAEIFBFJAHG-UHFFFAOYSA-N 374.361 -0.917 5 20 FBBD CN(C)S(=O)(=O)CCCN1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1195768529 CVBWRTAILYTNBV-CHWSQXEVSA-N 362.452 -0.533 5 20 FBBD Cc1c(CNC(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)cccc1[N+](=O)[O-] 1600010726 ZNUHVDHZEVRBKJ-NWDGAFQWSA-N 365.342 -0.187 5 20 FBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@]1(C(=O)O)CCOC1 1601324081 NCMZXLOMNJQZPI-HNNXBMFYSA-N 351.315 -0.068 5 20 FBBD CC[C@H](C)NC(=O)CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 174720267 HBMJPJKKPJJXTJ-ZFWWWQNUSA-N 368.438 -0.316 5 20 FBBD Cc1c(C(=O)N[C@@H](C(N)=O)C(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 266129454 ODEABKMKEOIBKL-LLVKDONJSA-N 358.376 -0.210 5 20 FBBD CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 272821462 UZSLEQDKKGOVRF-LBPRGKRZSA-N 359.360 -0.261 5 20 FBBD COC(=O)COCC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 287675251 DRWXIWUXLUFLKQ-UHFFFAOYSA-N 360.344 -0.326 5 20 FBBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 299438047 ZGNVUEJHDYFWFE-UHFFFAOYSA-N 361.358 -0.260 5 20 FBBD NC(=O)Cn1cc(NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cn1 447041269 XPZQCVRJSTWYBV-UHFFFAOYSA-N 372.341 -0.200 5 20 FBBD COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 447930797 MTLJCUONCVDNSN-LLVKDONJSA-N 371.371 -0.126 5 20 FBBD O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H](O)COc1ccc2c(c1)OCO2 475340811 AVQSKILMRPODRH-SECBINFHSA-N 365.302 -0.529 5 20 FBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(=O)CO)CC1 535468391 IPQHIRPYKUYYKM-UHFFFAOYSA-N 352.347 -0.322 5 20 FBBD Nc1nccc(C(=O)NCCS(=O)(=O)NCC2CCC2)c1[N+](=O)[O-] 572972748 BQZCPLZXNDNQSD-UHFFFAOYSA-N 357.392 0.021 5 20 FBBD N[C@H]1C[C@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O 583451802 HYLJMNPXTQPOGI-JSGCOSHPSA-N 368.415 -0.388 5 20 FBBD COCC(=O)NC1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 596076546 HHCCSYMIDIULLD-UHFFFAOYSA-N 372.403 -0.026 5 20 FBBD CN(CC(=O)NC1(C(N)=O)CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 610976626 VGVSSRSLYOVQPZ-UHFFFAOYSA-N 370.387 -0.261 5 20 FBBD COc1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)CC(N)=O)cc1SC 766921553 JKUWSXGKKDXQNM-UHFFFAOYSA-N 363.373 -0.130 5 20 FBBD COC(=O)[C@H](C)S(=O)(=O)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 797302910 VONNAGAROKGXRX-QMMMGPOBSA-N 370.343 -0.048 5 20 FBBD O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC(=O)N1CCOC[C@H]1CCO 813500681 SOEDKDYMZAZXMF-SNVBAGLBSA-N 363.326 -0.199 5 20 FBBD CN(CCN1CCCS1(=O)=O)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 821602815 WEJAACXCQPLPAL-UHFFFAOYSA-N 368.379 -0.358 5 20 FBBD COCCn1cc(C(=O)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(C)n1 861325983 BBWFXINOSZFKDQ-UHFFFAOYSA-N 372.363 -0.402 5 20 FBBD Cc1nc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(=O)[nH]c1C 947182733 MCESVEYJLACCGQ-VXGBXAGGSA-N 363.374 -0.227 5 20 FBBD O=C(NCc1cn(C2CN(C(=O)c3ccon3)C2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] 994705886 MXMBCKAAXHKLKE-ZYHUDNBSSA-N 361.318 -0.755 5 20 FBBD COCc1nc(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 999732702 AMAVUMPYINEFEO-GHMZBOCLSA-N 354.388 -0.176 5 20 FBBD Cc1n[nH]c(C)c1NC(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1031660178 CWNPVQIZKTVWHW-VXGBXAGGSA-N 350.379 -0.322 5 20 FBBD CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cn2c(n1)COCC2 1067391890 LRCQADKEBKBHRN-DGCLKSJQSA-N 365.390 -0.001 5 20 FBBD CN(C)CC1(C(=O)N2CCOC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)CC1 1068445287 CONDUMDNBAVIPK-CHWSQXEVSA-N 366.418 -0.567 5 20 FBBD O=C(NCc1cn(C2CN(CCOCC3CC3)C2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] 1107168562 VWQOLJZQAKNNJZ-HUUCEWRRSA-N 364.406 -0.157 5 20 FBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 1343227592 RFFREFVJJAWFGE-GWCFXTLKSA-N 367.358 -0.172 5 20 FBBD O=C(N[C@@H](CO)Cc1cnn[nH]1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 1577974663 KNWMCZAKVVEGNI-CYBMUJFWSA-N 372.345 -0.314 5 20 FBBD CN(C)S(=O)(=O)NCCNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 1591022592 ALSLXKPYNRQSOI-UHFFFAOYSA-N 356.368 -0.417 5 20 FBBD COC(=O)[C@H](CSc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])NC(C)=O 1604962219 WETHBBOUMPJALQ-QMMMGPOBSA-N 367.347 -0.060 5 20 FBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccccc1[N+](=O)[O-] 25034078 HBBXDNIMYBSPKK-LLVKDONJSA-N 351.315 -0.136 5 20 FBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 268306437 AFDYQMDVNXPDKS-LDYMZIIASA-N 359.360 -0.133 5 20 FBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O 275033222 FWEUFHJJVUGCSO-MRVPVSSYSA-N 361.332 -0.400 5 20 FBBD Cc1cc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)O)ccc1[N+](=O)[O-] 275041265 VQJRWNLSHLSQNU-GFCCVEGCSA-N 373.387 -0.033 5 20 FBBD O=C(Cn1cc([N+](=O)[O-])cn1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 298231885 AXEFWIUREXBISP-DGCLKSJQSA-N 372.403 -0.014 5 20 FBBD O=C(NC[C@@H]1CNCCCO1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 420199096 WPQDJTBTCBBWAB-HNNXBMFYSA-N 362.386 -0.026 5 20 FBBD O=C(NCCNc1ccccc1[N+](=O)[O-])c1cn(CCO)c(=O)nc1O 498077933 LWEFMXKNHPPRCZ-UHFFFAOYSA-N 363.330 -0.309 5 20 FBBD NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccn(CCN2CCOCC2)n1 561403479 BWIXJSIGUMACHR-UHFFFAOYSA-N 361.362 0.361 5 20 FBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 598029207 QEUUMQNQPZSDOU-RYUDHWBXSA-N 371.371 -0.747 5 20 FBBD NC(=O)[C@H]1CC[C@@H](CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)O1 598900608 LHIZIZULSCXBNW-NWDGAFQWSA-N 365.346 -0.135 5 20 FBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC1(CO)CC1 610478554 AVHAJIDXDSDQLE-UHFFFAOYSA-N 372.403 -0.055 5 20 FBBD O=C1C[C@H](OC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1 771637799 OIGQLCXUSCBXGZ-JTQLQIEISA-N 357.344 -0.305 5 20 FBBD O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 826439749 IJBYXQJCJCICGP-LBPRGKRZSA-N 358.318 -0.179 5 20 FBBD CO[C@H](C(=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cnn(C)c1 851329315 IFLKAOFYEDKZAB-JTQLQIEISA-N 355.332 -0.084 5 20 FBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCN1CC[C@@H](O)C1 863323348 LRYZKKHRHZTVOZ-GFCCVEGCSA-N 367.358 -0.023 5 20 FBBD Cc1nn(C)c(C(=O)OCC(=O)NCC(=O)NC(C)(C)C)c1[N+](=O)[O-] 920663839 JZOMMBDKFNFKFG-UHFFFAOYSA-N 355.351 -0.176 5 20 FBBD 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O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1(C(=O)O)CC1 539566103 HOKRGBFBILJFQT-UHFFFAOYSA-N 357.344 -0.003 5 20 FBBD NC(=O)[C@@H]1CC[C@H]1C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 578377579 SVUMTFWXTKGLLP-GHMZBOCLSA-N 358.358 0.578 5 20 FBBD C[C@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(=O)O 594542740 GWAJMTKXPVYMOV-SECBINFHSA-N 353.335 -0.208 5 20 FBBD C[C@@H](CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(=O)O 594542741 GWAJMTKXPVYMOV-VIFPVBQESA-N 353.335 -0.208 5 20 FBBD CNC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 619477241 ZUCQQWLYNGKTKD-UHFFFAOYSA-N 372.403 -0.344 5 20 FBBD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCCn1cc([N+](=O)[O-])cn1 756757130 QTCASHWISVGKIF-SECBINFHSA-N 372.363 -0.565 5 20 FBBD CCCNC(=O)CN(C)C(=O)COC(=O)c1ccnc(N)c1[N+](=O)[O-] 848785466 AGZMNESVSKVYGY-UHFFFAOYSA-N 353.335 -0.287 5 20 FBBD O=C1CCC(=O)N1CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1017544202 NFYCYGKGLKVFPI-YVECIDJPSA-N 350.375 -0.524 5 20 FBBD 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O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[nH]n2)c[nH]1 823139765 LRYPUMPIISGMMZ-CHWSQXEVSA-N 373.329 -0.073 5 20 FBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NN1CCS(=O)(=O)CC1 862739171 UECNWOUVGZWFDV-UHFFFAOYSA-N 370.387 -0.524 5 20 FBBD CN1CCC(C(=O)N2CCOC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)CC1 965415766 VFKYOFCQYVHGSX-ZIAGYGMSSA-N 366.418 -0.567 5 20 FBBD O=C(NCC1=CCN(C(=O)c2nc3ncccn3n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1017440413 HATWXTHFCCFXIZ-VXGBXAGGSA-N 371.357 -0.322 5 20 FBBD O=C(CN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2)N1CCCC1 1053252480 XDZFCPDRKPHCOH-CHWSQXEVSA-N 352.391 -0.813 5 20 FBBD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1n[nH]c2c1CCC2 1057545770 ONTVAUSKWTWSEP-ZYHUDNBSSA-N 351.363 -0.886 5 20 FBBD CCn1ccc(C(=O)N2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1080856368 BKNGJTJRBUVEGX-DGCLKSJQSA-N 365.390 -0.349 5 20 FBBD C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1261165091 KOLLWVZZGUDQAV-AAEUAGOBSA-N 352.395 -0.294 5 20 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O=C1NC(=O)C2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)N1 392098986 OVHHTXOEYKEXLA-UHFFFAOYSA-N 354.344 -0.043 5 20 FBBD N[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 417340528 MUUQXSLYRKQUPL-JTQLQIEISA-N 357.392 -0.384 5 20 FBBD CO[C@@H]1COC[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 458335434 DYWPYOOSZLVUMR-QWHCGFSZSA-N 373.387 -0.207 5 20 FBBD CN(CC(C)(CO)CO)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 508824840 CFULULSASBWVMA-UHFFFAOYSA-N 368.390 -0.157 5 20 FBBD Cc1nn(C)c(C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c1[N+](=O)[O-] 512179717 MQPWRTVXJVVNJA-UHFFFAOYSA-N 366.378 -0.554 5 20 FBBD NC(=O)COCCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 538496645 XBLLRQWVVFQWDW-UHFFFAOYSA-N 352.347 -0.337 5 20 FBBD CNC(=O)[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 598902633 QIEKZCIYVDAIOT-GFCCVEGCSA-N 365.346 -0.310 5 20 FBBD COCC[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(N)=O 611430030 XAAIQTQYTAQDRN-SKDRFNHKSA-N 352.347 -0.280 5 20 FBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCc1nnnn1C 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CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccnc2[nH]nnc12 1067385845 RPUBTQBMHFTWDA-GHMZBOCLSA-N 361.362 -0.061 5 20 FBBD CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403766 SNHKWRJNKPXCTH-VLEAKVRGSA-N 367.362 -0.708 5 20 FBBD CCS(=O)(=O)NCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 263672858 GSVQSQCDFWOGNC-UHFFFAOYSA-N 352.394 -0.407 5 20 FBBD C[C@@H](CNC(=O)c1cc([N+](=O)[O-])[nH]n1)N(C)C(=O)c1cc([N+](=O)[O-])[nH]n1 286041591 QTJCWGZPBHCWDW-LURJTMIESA-N 366.294 -0.160 5 20 FBBD C[C@H]1CC(=O)NCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 371050105 UEPLIOUXDFWDGM-VIFPVBQESA-N 360.326 -0.072 5 20 FBBD COCCO[C@H]1C[C@@H](CO)CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 447730771 LEOCOQPVSSPTCM-OCCSQVGLSA-N 371.394 -0.153 5 20 FBBD NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 540213452 IPYRTIPVCMHEES-QMMMGPOBSA-N 353.353 -0.215 5 20 FBBD CC(C)NC(=O)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 540513023 AVHFUPIDQAKIIQ-UHFFFAOYSA-N 372.403 -0.096 5 20 FBBD 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Cc1cc(C(=O)NCC(=O)NCCNC(=O)c2ccn[nH]2)ccc1[N+](=O)[O-] 272945299 PPZIBDNJJSTGCS-UHFFFAOYSA-N 374.357 -0.098 5 20 FBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO)C[C@@H](C)O 290157950 JGXBZFWTHLOARG-SECBINFHSA-N 362.360 -0.255 5 20 FBBD NC(=O)c1cn(C2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)nn1 374789177 UAUZVBSSIUKMBW-UHFFFAOYSA-N 366.359 -0.328 5 20 FBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 468631030 JFSPTSUXDXQCHB-SNVBAGLBSA-N 367.314 -0.274 5 20 FBBD Cn1cc(CCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)cn1 487792295 ZXAZKJRZUVVXOW-UHFFFAOYSA-N 353.360 -0.052 5 20 FBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCC1 502513412 TZHFWJXXYQQXDH-UHFFFAOYSA-N 371.419 -0.122 5 20 FBBD O=C(CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1)N1CCCCC1 511866106 WRXCMMMZWBZXTR-UHFFFAOYSA-N 365.394 -0.657 5 20 FBBD COC(=O)CNC(=O)c1ccc(N2CC[C@@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 571967718 NCLRIDXJNXTTJU-SMDDNHRTSA-N 367.358 -0.323 5 20 FBBD O=C(O)c1cccc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c1[N+](=O)[O-] 576707838 CJKILYIJGWOVKW-QMMMGPOBSA-N 370.343 -0.309 5 20 FBBD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 578178859 QCCJVUBIPBBBLX-SECBINFHSA-N 372.407 -0.427 5 20 FBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3onc(C(=O)O)c3C2)n1 600657099 ILIJTTKBBSHUFH-UHFFFAOYSA-N 357.304 -0.239 5 20 FBBD COc1cc(S(=O)(=O)NC(=O)CS(C)(=O)=O)ccc1[N+](=O)[O-] 761432396 NRBZSDIGFFUYRC-UHFFFAOYSA-N 352.346 -0.547 5 20 FBBD CNC(=O)[C@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 809837594 CNYSJXKVACQBFR-SECBINFHSA-N 351.768 -0.058 5 20 FBBD CC1(C)COC(=O)[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 837641202 WQDCFIXDHWLMOR-LBPRGKRZSA-N 371.371 -0.059 5 20 FBBD CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 848786191 ILIIAOJPXPBWSO-SECBINFHSA-N 365.346 -0.192 5 20 FBBD Cn1cc(C(=O)NCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ncc1=O 948929367 WSOHUWJOWJFADY-DGCLKSJQSA-N 363.374 -0.586 5 20 FBBD 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CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(S(C)(=O)=O)CC1 1252900232 COWZFTLPXLEOCR-CYBMUJFWSA-N 361.424 -0.492 5 20 FBBD Cc1c(CNC(=O)C(=O)NCCN2C(=O)CCC2=O)cccc1[N+](=O)[O-] 1258427675 NMAUPDOFLUDNPF-UHFFFAOYSA-N 362.342 -0.215 5 20 FBBD CCN1C[C@@H](C)N(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C 1324315360 DXTTZDAOPKWIQP-NWDGAFQWSA-N 352.395 -0.151 5 20 FBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1)c1ccc([N+](=O)[O-])[nH]1 1796297665 HAKDWJRUZIDKBL-JGPRNRPPSA-N 374.361 -0.139 5 20 FBBD CO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1801039306 GZSQVQVJAKSWFV-MMWGEVLESA-N 367.362 -0.444 5 20 FBBD Cn1cc(S(=O)(=O)NCC(=O)NCCc2ccccc2[N+](=O)[O-])cn1 461261902 FPZSGURUSRQTES-UHFFFAOYSA-N 367.387 -0.035 5 20 FBBD Cc1c(C(=O)N2CCNC(=O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 469181544 FJGBXODZLFJPQB-UHFFFAOYSA-N 356.360 -0.487 5 20 FBBD CC(C)(O)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 572750220 QIXASINPYISHPW-UHFFFAOYSA-N 365.390 -0.084 5 20 FBBD 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O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc[n+]([O-])c1 921167930 KRFUDLUREUHCCW-UHFFFAOYSA-N 366.355 -0.064 5 20 FBBD CN(C(=O)C1CC2(C1)CS(=O)(=O)C2)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954653391 UCIWJLNIVLHYQU-VXGBXAGGSA-N 371.415 -0.854 5 20 FBBD Cc1c(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn2c1OCCC2 1001796892 SWSZEJGTTLHEAT-VXGBXAGGSA-N 363.374 -0.173 5 20 FBBD O=C(NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc2nnnn2c1 1017572346 ODMIEOPSCPDGAI-CHWSQXEVSA-N 371.357 -0.322 5 20 FBBD NC(=O)c1coc(C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 1017730742 IGZMLOKIQCIBDV-VXGBXAGGSA-N 362.342 -0.068 5 20 FBBD COc1cccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1042976649 MZLGNLKWCYAGNB-MWLCHTKSSA-N 350.331 -0.942 5 20 FBBD O=C(NCC1(O)CN(C(=O)c2cnc3ccccc3n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042977640 ARRFBCDVBNFFOD-QMTHXVAHSA-N 371.353 -0.402 5 20 FBBD COc1nc(C)ccc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042978901 SVESMJMXPUWZIJ-VXGBXAGGSA-N 364.358 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Cn1cc(CNC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nn1 1332745561 ZFGPZESIDWQKGN-UHFFFAOYSA-N 373.373 -0.312 5 20 FBBD CN(CCNS(C)(=O)=O)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 1339308558 QPCGYCAORJGJEK-UHFFFAOYSA-N 355.369 -0.096 5 20 FBBD O=C(NCC(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1)c1cccc([N+](=O)[O-])c1 1601446378 MJSKTQUWUYMNPK-JQWIXIFHSA-N 351.315 -0.381 5 20 FBBD Cn1c(=O)ccn(CC(=O)OCc2cc(C(=O)O)ccc2[N+](=O)[O-])c1=O 1608077541 AMHMIBVHCFYXBR-UHFFFAOYSA-N 363.282 -0.103 5 20 FBBD CC(C)(CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-])NS(C)(=O)=O 1609084270 QYQAIEICIQEECO-UHFFFAOYSA-N 356.368 -0.090 5 20 FBBD CNC(=O)CNC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1 55127249 CBKRKMOZMDSGLO-MRVPVSSYSA-N 358.376 -0.099 5 20 FBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 267698780 HNXKJSJSODGNDM-GXFFZTMASA-N 361.358 -0.051 5 20 FBBD C[C@@H](C(=O)O)N(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 268996215 WDJVABYMWQQJRO-QMMMGPOBSA-N 374.375 -0.024 5 20 FBBD COC(=O)c1cc(C)nc(NCCNS(=O)(=O)N(C)C)c1[N+](=O)[O-] 295648954 FZJADVBOKOKXOT-UHFFFAOYSA-N 361.380 -0.107 5 20 FBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 299574339 HKTMDPBRPKOWTQ-KGLIPLIRSA-N 369.399 -0.178 5 20 FBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)N1CCNCC1 324658991 ZURQXXLRNZEWLC-UHFFFAOYSA-N 358.376 -0.687 5 20 FBBD Cn1cnc(CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 446503121 AMWRSYJJPWLHRD-UHFFFAOYSA-N 361.362 -0.119 5 20 FBBD Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 476424366 FSVWHHWVDPRMDP-UHFFFAOYSA-N 350.379 -0.292 5 20 FBBD O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3nc(O)n[nH]3)CC2)cc1 539197171 QCWUJKPEQWWNOI-UHFFFAOYSA-N 368.375 -0.075 5 20 FBBD CCn1cc(S(=O)(=O)NC[C@](C)(CO)CC(=O)O)c([N+](=O)[O-])n1 548684912 XGVNFKUNFNIJKV-LLVKDONJSA-N 350.353 -0.437 5 20 FBBD CCOc1ccc(NC(=O)CN2C[C@H](O)C[C@H]2C(N)=O)c([N+](=O)[O-])c1 596621820 PIUXRYZYXUZPHA-RNCFNFMXSA-N 352.347 -0.148 5 20 FBBD NC(=O)[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 598894663 QONGCMLTLHTJKU-LLVKDONJSA-N 351.319 -0.571 5 20 FBBD COC(=O)C[C@H](O)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 600468468 ORTVELACUHXXFK-JTQLQIEISA-N 360.344 -0.348 5 20 FBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCN1CC[C@@H](O)C1 600532965 JVCYUTXRBMBSFG-CQSZACIVSA-N 365.390 -0.423 5 20 FBBD CCOC(=O)N1CCN(C(=O)COC(=O)c2c([N+](=O)[O-])cnn2C)CC1 766970531 DGIAEJHQPXXUIQ-UHFFFAOYSA-N 369.334 -0.214 5 20 FBBD CS(=O)(=O)NC(=O)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 800552029 XWULPSKYRYKNFM-UHFFFAOYSA-N 369.359 -0.473 5 20 FBBD CS(=O)(=O)N[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 821931768 HEXAODYKKSDBEJ-QMMMGPOBSA-N 368.379 -0.312 5 20 FBBD COCCn1ccc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)n1 847893165 PKHOCNJEYDWSSX-UHFFFAOYSA-N 355.332 -0.049 5 20 FBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1COCO1 861969743 ZCAWRZDVDQFATI-LLVKDONJSA-N 359.360 -0.248 5 20 FBBD O=C(N[C@H]1[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 976479752 GIUAUJFNIQYBGJ-HMUNZLOLSA-N 353.766 -0.225 5 20 FBBD O=C(Cn1cc(C2CC2)cn1)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 976739463 WFAWUJRSEIETRO-SSZWKKLZSA-N 359.386 -0.001 5 20 FBBD O=C(CN1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1cnccn1 1000673738 KGTKPHLDLMRZGG-CHWSQXEVSA-N 360.374 -0.171 5 20 FBBD CS(=O)(=O)C1(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 1001809179 AVRFETBPYCXDBG-GHMZBOCLSA-N 359.404 -0.807 5 20 FBBD CC(C)(C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCOCC1 1011112533 RWKIQLDSCKSJCF-CHWSQXEVSA-N 354.407 -0.567 5 20 FBBD CC(C)c1oncc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042976845 XAVQGNYHUGTBRU-MWLCHTKSSA-N 352.347 -0.234 5 20 FBBD Cc1ccn(CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)c(=O)c1 1063076570 VSNLDGXSVIHUDH-CHWSQXEVSA-N 362.386 -0.023 5 20 FBBD O=C(Cc1cc[nH]n1)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074583853 PXXMWLDFWQDVJF-VXGBXAGGSA-N 351.363 -0.913 5 20 FBBD C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)NCC(F)(F)F 1115928345 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352.347 -0.405 5 20 FBBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)C(O)O)C1 1841236344 CINQRDWWZUZHSL-UHFFFAOYSA-N 353.306 -0.138 5 20 FBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 29822035 QHFIUMZMZKFUFP-LBPRGKRZSA-N 352.395 -0.302 5 20 FBBD NC(=O)[C@H]1C[C@@H](C(=O)O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 275140145 QDLVOPRQRUHNQD-GZMMTYOYSA-N 357.344 -0.066 5 20 FBBD NC(=O)c1cn(C2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)nn1 378547515 IUTUFQCDAAINRH-UHFFFAOYSA-N 366.359 -0.328 5 20 FBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC1(c2nn[nH]n2)CC1 430319270 KIQCKTFVZHTWMF-UHFFFAOYSA-N 357.286 -0.491 5 20 FBBD C[C@](O)(CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)CN1CCOCC1 433382180 CHYSWNZFUKLKLP-AWEZNQCLSA-N 374.419 -0.263 5 20 FBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C2 466956594 VCXKDXRFHBZVQI-UHFFFAOYSA-N 363.334 -0.975 5 20 FBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 468665216 AZHBYUISFXOLEB-LBPRGKRZSA-N 374.313 -0.711 5 20 FBBD CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2C[C@@H](O)CN2)c([N+](=O)[O-])c1 478007600 ZSJZFVHQVNAXBF-BXKDBHETSA-N 372.403 -0.751 5 20 FBBD O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCN(CCN2CCOCC2)C1 609668193 JIYOOEUJWBVYMC-CYBMUJFWSA-N 352.395 -0.686 5 20 FBBD Cc1nn[nH]c1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 789911677 IJKCTZVQHNESBW-UHFFFAOYSA-N 354.348 -0.270 5 20 FBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 918565018 JWOBBZAOKBJTCU-UHFFFAOYSA-N 362.306 -0.162 5 20 FBBD Cc1nnc(O)c(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)c1C 976927360 DMKVFCKHHDKXMS-HMUNZLOLSA-N 361.358 -0.349 5 20 FBBD O=C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)/C=C/C2CC2)CCN1 1001746200 RVURJFUWVFUIKO-LSMGEYOZSA-N 364.402 -0.205 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1c[nH]c2ncccc12 1043157570 GBVNTPBGPXYMIQ-ZYHUDNBSSA-N 359.342 -0.469 5 20 FBBD Cn1[nH]c(CNC[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1=O 1048607835 NEKBQBCMVDGAMG-FDYHWXHSSA-N 366.422 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NC(=O)CN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 264578977 INTLTDOAQTUIRG-UHFFFAOYSA-N 350.331 -0.584 5 20 FBBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)N1CCS(=O)(=O)CC1 264709190 YGVCWBZNJXJERO-SECBINFHSA-N 371.371 -0.324 5 20 FBBD CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 269795523 KORJJNHTYMFXHS-LBPRGKRZSA-N 359.404 -0.092 5 20 FBBD C[C@H](O)C(=O)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 270932139 WXWXYVCVFLMKSJ-GXTWGEPZSA-N 353.375 -0.141 5 20 FBBD COc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 272937953 OQOLEYJTDAJKOA-UHFFFAOYSA-N 357.344 -0.201 5 20 FBBD COC[C@H](CO)NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 280709419 WZINROCYIVZYEJ-JTQLQIEISA-N 361.376 -0.325 5 20 FBBD CN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 296207830 WGYHTHPPVWCRQR-UHFFFAOYSA-N 370.384 -0.592 5 20 FBBD NS(=O)(=O)CCN1CCN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 482706055 KCEOATWMAHGZTB-UHFFFAOYSA-N 368.419 -0.123 5 20 FBBD Cn1cnc(CCNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 531263804 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Cn1cnnc1N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 594594059 JMRWBNNRJMLTHY-UHFFFAOYSA-N 367.391 -0.303 5 20 FBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 594778144 GMWMSVPCSMNCQS-AWEZNQCLSA-N 366.355 -0.246 5 20 FBBD Cn1nncc1CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 596949017 RXNODXZREQRUGI-UHFFFAOYSA-N 368.375 -0.640 5 20 FBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCn1cnnc1 597713640 DZELZTJNCQJPDE-UHFFFAOYSA-N 368.375 -0.329 5 20 FBBD Nc1nsc(N2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)n1 610890531 OUFADYVLASBMST-UHFFFAOYSA-N 371.404 -0.066 5 20 FBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC[C@@H]1CNC(=O)O1 801243230 RUPIDJUTEMWRQR-JTQLQIEISA-N 373.343 -0.085 5 20 FBBD NS(=O)(=O)CCCCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 818124522 GSUVFFQHVSKFAI-UHFFFAOYSA-N 359.360 -0.029 5 20 FBBD CN([C@H]1CCNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825887299 FMTDXYPDDCKNKO-QMMMGPOBSA-N 367.347 -0.716 5 20 FBBD CC(C)[C@@H](CO)ONC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 836893842 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FBBD O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(S(=O)(=O)CCO)cc1 508736956 KBLDDYMZXCGMMS-UHFFFAOYSA-N 368.371 -0.126 5 20 FBBD CC(=O)NC[C@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCO1 524000959 GVFHJVAXVAIOIO-LBPRGKRZSA-N 358.376 -0.417 5 20 FBBD O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(O)(CN3CCOCC3)CC2)c1 538094921 VLDBLGDLLPCZHZ-HNNXBMFYSA-N 369.422 -0.689 5 20 FBBD COC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(=O)O 583251918 ADZXQAGGEVCWRL-VIFPVBQESA-N 362.316 -0.241 5 20 FBBD CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593601869 MAXUBLBQHAFNJO-MRVPVSSYSA-N 352.394 -0.404 5 20 FBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 594825897 DAKVPCMZUQVZHJ-ONGXEEELSA-N 364.401 -0.006 5 20 FBBD CCOC(=O)[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 595926530 NBEZCBXLDWFZBN-LLVKDONJSA-N 370.387 -0.169 5 20 FBBD Cn1nnnc1CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 611327347 YTYAMOJYILFQRN-UHFFFAOYSA-N 359.302 -0.927 5 20 FBBD CNC(=O)Cn1cnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 743050440 SETXYILTTWSNBD-UHFFFAOYSA-N 358.311 -0.128 5 20 FBBD O=C(COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)NCC(=O)N1CCCC1 748917394 NMSYGGIUOSFJNU-UHFFFAOYSA-N 366.330 -0.962 5 20 FBBD Cc1c(C(=O)O[C@@H]2CCCNC2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 767344726 GQZZGHCHCYAHEG-LLVKDONJSA-N 357.344 -0.014 5 20 FBBD CC(=O)N1CCN(S(=O)(=O)NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 813946969 UBYVNUPBAUHTDD-UHFFFAOYSA-N 359.364 -0.928 5 20 FBBD O=C(c1cnc2nccn2c1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 961552355 YZDDZQMMEJBVHO-XJFOESAGSA-N 370.369 -0.075 5 20 FBBD O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cccc(-n2cncn2)n1 974114265 CSAFOLIAMDDMCM-LSCVPOLPSA-N 371.357 -0.296 5 20 FBBD O=C(NCC1(O)CN(C(=O)c2ccc(C3CC3)cn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042976719 QJCIMXBXULHSEW-TZMCWYRMSA-N 360.370 -0.073 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc(C(F)F)ncn1 1043682946 IRTBKIJWJLYYQY-GMSGAONNSA-N 371.300 -0.618 5 20 FBBD 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COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 326308107 TZQOLNXNICWCSE-UWVGGRQHSA-N 360.344 -0.100 5 20 FBBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCO[C@@H](c2nn[nH]n2)C1 370858511 RRCHTMOFHVFDKK-GFCCVEGCSA-N 371.317 -0.098 5 20 FBBD COc1cc(C(=O)N2C[C@H](N(C)CC(=O)O)[C@H](O)C2)ccc1[N+](=O)[O-] 435700581 JBRFYWWRZFCXCG-NWDGAFQWSA-N 353.331 -0.195 5 20 FBBD Cc1cc(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)ncc1[N+](=O)[O-] 468427446 NOXAPAXZWZMLBR-UHFFFAOYSA-N 353.364 -0.073 5 20 FBBD CS(=O)(=O)c1cc(C(=O)NC2(c3nn[nH]n3)CC2)cc([N+](=O)[O-])c1 470988120 CDPLTKSADIHRLL-UHFFFAOYSA-N 352.332 -0.070 5 20 FBBD O=C1NC(=O)N2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]12 544123516 LPWSOKFLTGFWKC-ZYHUDNBSSA-N 350.331 -0.430 5 20 FBBD CN(C)[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@@H]1O 556973688 IGTITFYKVLIWGQ-STQMWFEESA-N 364.358 -0.547 5 20 FBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCNS(=O)(=O)N(C)C 578098702 JNAWIWIUCAVNJB-UHFFFAOYSA-N 366.421 -0.422 5 20 FBBD 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COC(=O)[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)OC 293197327 BKXIVJLEZAGBCP-LLVKDONJSA-N 355.303 -0.154 5 20 FBBD CN1CCN(S(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 298315946 QPMXGSLWKPMXEA-UHFFFAOYSA-N 370.435 -0.396 5 20 FBBD CCS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 298493920 JVQNQEWAKWHTRU-UHFFFAOYSA-N 367.405 -0.179 5 20 FBBD C[C@@H]1C[C@H](C(=O)O)CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 422704480 PSYYUFBPRHMIOS-ZJUUUORDSA-N 353.335 -0.523 5 20 FBBD COC[C@@H](C(N)=O)N(C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 500287888 HCNORSWKRKJIOB-JTQLQIEISA-N 370.387 -0.256 5 20 FBBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 594694204 FYOVWPIWWPAMPV-HTQZYQBOSA-N 360.417 -0.192 5 20 FBBD NC(=O)CN1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1=O 597090198 JFZXTQZIERVVQS-UHFFFAOYSA-N 370.753 -0.008 5 20 FBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2nccnn2)CC1 599118608 SIELDOVGNKIFFR-UHFFFAOYSA-N 365.375 -0.246 5 20 FBBD CS(=O)(=O)CCOCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 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CNC(=O)[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 292992175 MPHCACHMXMHMEQ-VIFPVBQESA-N 373.391 -0.693 5 20 FBBD COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 447932801 TUZPDSNVUKEPNZ-VIFPVBQESA-N 373.343 -0.735 5 20 FBBD CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594779413 MKMDNZJJCQQHDT-MRVPVSSYSA-N 352.394 -0.404 5 20 FBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCCS2(=O)=O)n1 599275899 XAJFPDHPGNEDBU-QMMMGPOBSA-N 352.394 -0.426 5 20 FBBD NS(=O)(=O)c1ccc(C(=O)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] 600531521 GHVGOIFVNBAEKJ-SNVBAGLBSA-N 358.376 -0.961 5 20 FBBD O=[N+]([O-])c1cc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)ccc1O 603583605 OTMOMIIYNSGXCW-UHFFFAOYSA-N 365.389 -0.340 5 20 FBBD O=C(CO)N1CCN(C(=O)c2cc([N+](=O)[O-])c3nsnc3c2)CC1 778402175 LTRPIHQICWQDQC-UHFFFAOYSA-N 351.344 -0.124 5 20 FBBD CN(C)c1cc(F)c(C(=O)OCC(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] 814484716 JWRORSGJZZOHQS-UHFFFAOYSA-N 368.321 -0.085 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnc(C2CC2)o1 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CCN1C(=O)[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCN2C1=O 375873942 PRECOKFOMSYMOX-RYUDHWBXSA-N 352.351 -0.880 5 20 FBBD Cn1nnc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n1 427924338 JNJWCFAUVFWJAP-UHFFFAOYSA-N 371.260 -0.025 5 20 FBBD Cc1cc(C(=O)NCC(=O)N2CCOC[C@@H]2CC(N)=O)ccc1[N+](=O)[O-] 457034452 OLYDSRRLRNYTJW-LBPRGKRZSA-N 364.358 -0.264 5 20 FBBD COc1ccc(CNC(=O)N2CCN(CC(N)=O)C(=O)C2)cc1[N+](=O)[O-] 457947230 VZIMSSUOPAVFQW-UHFFFAOYSA-N 365.346 -0.558 5 20 FBBD COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 512274592 AGWRLDOKKOZMAU-WDEREUQCSA-N 354.367 -0.424 5 20 FBBD CC(C)NC(=O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 516363031 DASCESRLVJHDOM-UHFFFAOYSA-N 372.403 -0.096 5 20 FBBD CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 569116012 CQZDZZYUGVPDSE-UHFFFAOYSA-N 372.407 -0.427 5 20 FBBD C[C@@H](O)CN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 590981058 XMJJKDFSKORZOZ-LLVKDONJSA-N 351.363 -0.522 5 20 FBBD CCn1nncc1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 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AEXHAMOYWFATBH-STQMWFEESA-N 364.406 -0.102 5 20 FBBD O=C1CN(CCNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1 273087769 IUODBKUPTQYAES-CQSZACIVSA-N 361.358 -0.364 5 20 FBBD COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)C(=O)O)cc1[N+](=O)[O-] 277259295 MUGJGEYCIXRRDT-VIFPVBQESA-N 363.304 -0.503 5 20 FBBD CO[C@@H]1CN[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 372774389 BTLBQPHZGUVVAD-WCQYABFASA-N 372.403 -0.634 5 20 FBBD C[C@H](CN)NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 418517953 WIARIJIUEKATHE-LLVKDONJSA-N 371.419 -0.042 5 20 FBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@]1(O)CCOC1 421983464 IERBIVVWSZAYDV-CQSZACIVSA-N 373.387 -0.517 5 20 FBBD CC[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC 456985535 BDFBOHOOUSDKOO-LBPRGKRZSA-N 372.403 -0.144 5 20 FBBD C[C@@H](CC(N)=O)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 482308325 GTFZMVVJNAUXPU-VIFPVBQESA-N 358.376 -0.357 5 20 FBBD COCCN(C)CCCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 549760057 OJMMVELGFXABBK-UHFFFAOYSA-N 374.419 -0.060 5 20 FBBD CCn1cc(S(=O)(=O)N2CCCNC[C@@H]2C(=O)OC)c([N+](=O)[O-])n1 592389500 WMCLMVLQHLRONI-SECBINFHSA-N 361.380 -0.663 5 20 FBBD O=C1C[C@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C(=O)N1 593921384 XCHQBTKXIWGNDG-NSHDSACASA-N 368.371 -0.684 5 20 FBBD O=C(NCCN1C(=O)CNC1=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781671074 YZGNHKOCTNLEIT-LBPRGKRZSA-N 361.314 -0.244 5 20 FBBD O=C(CCn1cc([N+](=O)[O-])cn1)NS(=O)(=O)c1cnn2c1OCCC2 816202785 HXBZIPDYTPGXFS-UHFFFAOYSA-N 370.347 -0.335 5 20 FBBD CC(C)(CCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N+](=O)[O-] 822281776 JWZSWQVGKDFANK-UHFFFAOYSA-N 370.406 -0.649 5 20 FBBD COC(=O)CCN1CC[C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C1=O 849719454 TYUFHEKTAVIRCV-NSHDSACASA-N 354.319 -0.111 5 20 FBBD CC(=O)NCC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 862960577 HWZUMKRWMTVFAA-UHFFFAOYSA-N 363.374 -0.012 5 20 FBBD COCCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 955000562 OHOGUAGIQPQPNK-CHWSQXEVSA-N 351.363 -0.523 5 20 FBBD O=C1COc2ccc(C(=O)N3CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)cc2N1 991286684 MYULBQFATDIHTJ-ZYHUDNBSSA-N 360.326 -0.377 5 20 FBBD Cn1c(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cnc1Cl 1043872973 POIJIDXNMBCVRV-HTQZYQBOSA-N 357.754 -0.958 5 20 FBBD CN(C)c1ccncc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1044037291 DXGLNRABKXOBLY-ZWNOBZJWSA-N 363.374 -0.884 5 20 FBBD CCn1ccnc1C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074583502 HCIRWWYKRUYSOL-VXGBXAGGSA-N 365.390 -0.349 5 20 FBBD CCN(CC1CCN(C(=O)CC(=O)NC)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1081075379 QKMYWADXDKJXRU-CHWSQXEVSA-N 354.407 -0.125 5 20 FBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(N(CCO)CCn2cccn2)CC1 1098365652 PFVDUDCLEIABJI-HUUCEWRRSA-N 351.407 -0.166 5 20 FBBD Cc1[nH]nc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1[N+](=O)[O-] 1318630061 JLEQYHGQBQYGKE-LBPRGKRZSA-N 352.395 -0.237 5 20 FBBD NS(=O)(=O)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 52487593 ZUFUSRBZFDQDIG-UHFFFAOYSA-N 368.375 -0.034 5 20 FBBD CN1CC[C@@H](N(C)C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1=O 265644721 JRMJWWIHFZUVHR-LLVKDONJSA-N 360.326 -0.120 5 20 FBBD CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCO1 272738367 GJBAGZJCGPKHDS-NSHDSACASA-N 359.360 -0.261 5 20 FBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 275919255 ZAKURGOAKRAZLD-CHWSQXEVSA-N 358.372 -0.100 5 20 FBBD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCCC[C@@H]2C(N)=O)c1=O 497666818 AAKXPGUWQISHHN-LLVKDONJSA-N 366.330 -0.591 5 20 FBBD NC(=O)[C@@H]1CCCN1C(=O)NC(=O)Cn1cc(Cl)cc([N+](=O)[O-])c1=O 502111964 VRQVXLILMUWDET-QMMMGPOBSA-N 371.737 -0.404 5 20 FBBD CNC(=O)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 503201597 QJVQIJHBTBLDIT-UHFFFAOYSA-N 358.376 -0.485 5 20 FBBD C[C@H]1NCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 520401522 NOQWCHDXALEADH-MFKMUULPSA-N 356.404 -0.013 5 20 FBBD NC(=O)[C@@H]1CC[C@H](C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)O1 580377656 JUSIIAGWSFXLIG-QWHCGFSZSA-N 374.357 0.099 5 20 FBBD NS(=O)(=O)C[C@H]1CCCN1c1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598611516 SRWMVFAJNPQQSQ-SNVBAGLBSA-N 372.407 -0.521 5 20 FBBD CCn1cc(S(=O)(=O)N[C@@H](CCSC)C(N)=O)c([N+](=O)[O-])n1 599402516 UVUDDELIMJPSBK-ZETCQYMHSA-N 351.410 -0.304 5 20 FBBD Cc1nn(CCC(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)c(C)c1[N+](=O)[O-] 726647802 RQAWMACMHUDSNU-JTQLQIEISA-N 369.378 -0.066 5 20 FBBD NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2CN=C(N3CCOCC3)S2)c1=O 733869773 RRKKXWYPYYAFED-JTQLQIEISA-N 367.387 -0.341 5 20 FBBD O=C(O)CNC(=O)CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 739809492 WRXQPFOIZSQPSK-UHFFFAOYSA-N 351.724 -0.273 5 20 FBBD CN(CC(=O)NS(=O)(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] 772669961 NTCXZMRKACAZKW-UHFFFAOYSA-N 358.376 -0.276 5 20 FBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nn1cnn(CC)c1=O 816738264 XGRPQADGNGNTGE-SECBINFHSA-N 352.355 -0.024 5 20 FBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NN1CCS(=O)(=O)CC1 862738851 OPBMYBCICYYIIH-UHFFFAOYSA-N 356.360 -0.914 5 20 FBBD Cc1ncc(C(=O)N2CC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)n1C 965375486 LCEPJRFLTWQFJF-VXGBXAGGSA-N 363.374 -0.553 5 20 FBBD COCc1nn(C)cc1C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 976480635 KQRBOPBHHLTATG-BZROYUPASA-N 363.374 -0.582 5 20 FBBD COCCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)cn1 976969524 IOINFQINIXRVHM-RGDJUOJXSA-N 363.374 -0.619 5 20 FBBD CCNC(=O)CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1070035623 ICDWSFKDLULPFY-VXGBXAGGSA-N 370.406 -0.651 5 20 FBBD CC(=O)N1CCN(c2ccc(C(=O)NC3=NCC(=O)N3)cc2[N+](=O)[O-])CC1 1321736816 QHBGTHPZWDJKTG-UHFFFAOYSA-N 374.357 -0.521 5 20 FBBD CN(CCN(C)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(=O)CC(N)=O 1591095100 YRUFUZJDWRHNFS-UHFFFAOYSA-N 362.350 -0.455 5 20 FBBD CNC(=O)NC[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCO1 1604885565 DGIPHSJEGLZLDI-MRVPVSSYSA-N 363.338 -0.696 5 20 FBBD CC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1846004687 VIHAMGDCWDGHFZ-SECBINFHSA-N 364.362 -0.341 5 20 FBBD CNC(=O)NC(=O)COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 28864911 JFKIZAKLOKMSSX-UHFFFAOYSA-N 352.303 -0.287 5 20 FBBD CCOC(=O)CCCNC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 42650125 XVYDMMFYUIIKFG-UHFFFAOYSA-N 354.319 -0.685 5 20 FBBD CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 63593293 ADCRTJDXOCYTNY-AWEZNQCLSA-N 364.406 -0.054 5 20 FBBD Cc1cc(C(=O)NCC(=O)N[C@]2(C(=O)O)CCOC2)ccc1[N+](=O)[O-] 262916106 IAFAQKVLCRALMB-OAHLLOKOSA-N 351.315 -0.007 5 20 FBBD CNCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 263108331 DISWPHVWPOMPFN-UHFFFAOYSA-N 372.403 -0.344 5 20 FBBD Cc1c(C(=O)N(C)CC(=O)NC2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 266830043 MNULJSKVWWUUPR-UHFFFAOYSA-N 370.387 -0.099 5 20 FBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 285061156 IIUGCCNYWDRELF-UHFFFAOYSA-N 364.405 -0.635 5 20 FBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 390890550 LIDCDHHLJAKVSN-UHFFFAOYSA-N 364.405 -0.587 5 20 FBBD O=C(Nc1ccn(CCN2CCOCC2)n1)c1cnc(O)c([N+](=O)[O-])c1 445199129 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O=C(CCN1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 364892602 KEROQEWLLFBSMN-ZDUSSCGKSA-N 361.358 -0.434 5 20 FBBD COC(=O)CNC(=O)c1ccc(NC[C@@H]2CNCCN2C)c([N+](=O)[O-])c1 420277709 QSVNWIGWHNYSRQ-LBPRGKRZSA-N 365.390 -0.187 5 20 FBBD NC(=O)NC(=O)CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 467614604 QMPMPDDNRLUQDB-UHFFFAOYSA-N 352.303 -0.390 5 20 FBBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN(C(=O)CO)CC1 504872076 YQBBCHGWKHTOSE-UHFFFAOYSA-N 370.749 -0.150 5 20 FBBD O=C(Cn1cnc([N+](=O)[O-])n1)NCC(=O)N1CCN(c2ccccc2)CC1 520103562 WLLBFLNFVKTENU-UHFFFAOYSA-N 373.373 -0.349 5 20 FBBD Cc1c(C(=O)NC[C@@]2(O)CCOC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 534428782 JVLBUKRPOKIEQQ-ZDUSSCGKSA-N 359.360 -0.568 5 20 FBBD CO[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 597538966 GQMPNBISUVEYSY-ZDUSSCGKSA-N 359.360 -0.296 5 20 FBBD COC(=O)[C@](C)(NC(=O)C[C@@H]1NC(=O)NC1=O)c1cccc([N+](=O)[O-])c1 600541317 RKGHPLWLZIQJMC-ZUZCIYMTSA-N 364.314 -0.303 5 20 FBBD CNC(=O)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 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362.342 -0.588 5 20 FBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](n2cc(CO)nn2)C1 1347747477 RRCYLSJETCTRSA-GFCCVEGCSA-N 362.346 -0.296 5 20 FBBD O=C1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)c2cc(-c3nn[nH]n3)ccc2N1 1607047073 SHIINFHNGQUQJF-UHFFFAOYSA-N 369.301 -0.043 5 20 FBBD COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 27363512 OIFPVGBXYHPTPN-GFCCVEGCSA-N 350.331 -0.443 5 20 FBBD COC(=O)CNC(=O)CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] 60498640 GISWOXCOVAKYJN-UHFFFAOYSA-N 359.360 -0.221 5 20 FBBD O=C1CNC(=O)N1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 264464818 HLFGDAYHYUBJJK-UHFFFAOYSA-N 360.323 -0.046 5 20 FBBD N[C@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 269159235 KDOMULSITRUIIS-VIFPVBQESA-N 357.392 -0.396 5 20 FBBD O=C1CN(CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1 272712417 VQVVJMIVOQBCTI-UHFFFAOYSA-N 358.358 -0.058 5 20 FBBD NC(=O)CN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 458044391 LVTRVTZDEYBEGW-UHFFFAOYSA-N 364.314 -0.864 5 20 FBBD 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O=C(CN1CCCC1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1070114452 QNTPVPFWOGAQAY-CHWSQXEVSA-N 354.407 -0.471 5 20 FBBD Cc1cnoc1C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074584698 SSHZTRXGCBYLBQ-GHMZBOCLSA-N 352.347 -0.268 5 20 FBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845265474 BLSFQEYTBZLVEG-UHFFFAOYSA-N 360.334 -0.573 5 20 FBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1845540918 ZYBMVUZLJSNFCZ-UHFFFAOYSA-N 365.342 -0.263 5 20 FBBD CN(C)S(=O)(=O)N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 25205716 ZGLGSAVBXHRLTO-UHFFFAOYSA-N 372.403 -0.076 5 20 FBBD O=C(CNCC1CC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 262619556 NCZPHBDRRJTKGF-UHFFFAOYSA-N 356.404 -0.011 5 20 FBBD COC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 477757408 UECGUPMJPNUTIU-SNVBAGLBSA-N 361.376 -0.613 5 20 FBBD CCOC(=O)c1cc(C(=O)NCC(=O)NCC(=O)OC)cc([N+](=O)[O-])c1 536608395 DFIJDTPYXDBGBS-UHFFFAOYSA-N 367.314 -0.210 5 20 FBBD C[C@@](O)(CO)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 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Cc1nn(CCC(=O)NCCN2CCS(=O)(=O)CC2)c(C)c1[N+](=O)[O-] 608877890 APJCUZNLPNJAAO-UHFFFAOYSA-N 373.435 -0.355 5 20 FBBD O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCN1CCNC(=O)C1 782028428 JTKRGADQAVRQPZ-UHFFFAOYSA-N 365.346 -0.016 5 20 FBBD COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 839687049 TZEZVEAMXPWZSB-CHWSQXEVSA-N 357.388 -0.107 5 20 FBBD O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CS(=O)(=O)C1 943699969 UHSDJESCKJLAJX-DDHJBXDOSA-N 359.404 -0.760 5 20 FBBD CCCN1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 961066786 KXGNPUJAFZUSFM-CHWSQXEVSA-N 360.436 -0.780 5 20 FBBD O=C(NCC1(O)CN(C(=O)c2ccnc3ccncc23)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042978203 JBRXJUHJPYVSMI-BXUZGUMPSA-N 371.353 -0.402 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1snnc1C1CC1 1043460548 GPECYDRHUYFPHJ-RKDXNWHRSA-N 367.387 -0.616 5 20 FBBD CC(C)c1ncncc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057649347 XAWSSZXOGRBCEG-DGCLKSJQSA-N 365.390 -0.184 5 20 FBBD Cc1cc(NC(=O)C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)no1 1062989142 PWUQLYVIUQRLHD-NXEZZACHSA-N 365.346 -0.258 5 20 FBBD Cc1oncc1CNCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1093318910 REBDTSGEUOJLBE-ZIAGYGMSSA-N 361.362 -0.087 5 20 FBBD CCOC(=O)N1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1117605113 VEEWZNYHQYBSJZ-UHFFFAOYSA-N 368.350 -0.792 5 20 FBBD C[C@@H](NC=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848164594 MRGCWNLOKNXNQR-WXHSDQCUSA-N 364.362 -0.872 5 20 FBBD O=C(CCN1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] 267464165 MOSXNZULKKZCDU-LLVKDONJSA-N 361.358 -0.434 5 20 FBBD CN(C)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 270617679 CNWUUKJFHAONTM-UHFFFAOYSA-N 359.408 -0.266 5 20 FBBD C[C@@H](O)C(=O)N1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 271030563 KSHGZZCTSKNTGH-GFCCVEGCSA-N 371.415 -0.008 5 20 FBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 468647776 LMEAVMVANXWGLA-ZDUSSCGKSA-N 373.325 -0.106 5 20 FBBD NC(=O)c1cn(C2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)nn1 502018363 SVSYMWGGUYTXQG-UHFFFAOYSA-N 358.361 -0.408 5 20 FBBD O=C(O)Cn1cc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)nn1 559706965 PQBMFZMBZLIOEM-UHFFFAOYSA-N 363.286 -0.028 5 20 FBBD CC[C@H](NC(=O)c1ccnc(NC)c1[N+](=O)[O-])C(=O)N1CCOCC1 577624777 ULOUETYQUIIDEO-NSHDSACASA-N 351.363 0.399 5 20 FBBD NC(=O)C[C@@H]1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 588931459 FHKRXLXCOLUISD-VIFPVBQESA-N 360.326 -0.085 5 20 FBBD CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594823741 XWOZHONQXMZKKC-APPZFPTMSA-N 351.362 -0.920 5 20 FBBD C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)Cn1cnc([N+](=O)[O-])n1 744826846 ZPGJBWPVCCAEOO-VIFPVBQESA-N 363.334 -0.042 5 20 FBBD COC(=O)N(C)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 855944019 NBEQWOCOVJFCCQ-UHFFFAOYSA-N 374.375 -0.313 5 20 FBBD CCN(C(=O)c1nc2ncccn2n1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 968268831 ZANSDRFMWJNUPJ-GHMZBOCLSA-N 359.346 -0.538 5 20 FBBD 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NS(=O)(=O)c1c(NC[C@]2(OCCO)CCOC2)cccc1[N+](=O)[O-] 596425006 WLILCLRNEVRYJA-CYBMUJFWSA-N 361.376 -0.178 5 20 FBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2CC[C@H]1C2 597709512 ZTMGNSJNXNTRKY-NSHDSACASA-N 354.388 -0.210 5 20 FBBD COC(=O)c1ccnc(Nc2cnn(CC(=O)NCCO)c2)c1[N+](=O)[O-] 598598893 FTRICAIEAFVYBR-UHFFFAOYSA-N 364.318 -0.175 5 20 FBBD COC(=O)[C@@H]1C[C@@H](O)CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598632039 YVRRALXOPCEIFL-GHMZBOCLSA-N 367.362 -0.418 5 20 FBBD COCCS(=O)(=O)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 732523866 XGZKUGRLGNMSHB-UHFFFAOYSA-N 355.332 -0.119 5 20 FBBD Cc1nn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] 779860312 WFRJFLSRFLIKCD-UHFFFAOYSA-N 366.378 -0.940 5 20 FBBD Cc1c(C(=O)NCCN2CCNC(=O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 781412831 QTNJEIMJMICHTF-UHFFFAOYSA-N 351.319 -0.027 5 20 FBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OCc1nc(O)n[nH]1 796275965 QFYGFVJGOBQGOH-UHFFFAOYSA-N 357.304 -0.560 5 20 FBBD O=C(c1cccnc1)N1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 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CNC(=O)CN(C)c1ccc([N+](=O)[O-])c(N(C)CC(=O)NC)c1[N+](=O)[O-] 269352829 NHJUIRDKIGPQFC-UHFFFAOYSA-N 368.350 -0.133 5 20 FBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@@H]1C 276058817 BICJKOZWVMLZQY-QMMMGPOBSA-N 357.344 -0.110 5 20 FBBD O=C(NCCF)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 281822511 PJGVQZBYJXKKEF-ONGXEEELSA-N 361.351 -0.196 5 20 FBBD O=C(O)Cn1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nn1 325781216 MBDQCXPZTRWMBM-UHFFFAOYSA-N 359.295 -0.112 5 20 FBBD CC(=O)N1CC[C@H](NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 472997476 GCBLAYYYRGNRSB-JTQLQIEISA-N 370.387 -0.099 5 20 FBBD CCn1cc(S(=O)(=O)N[C@@H](C(=O)O)[C@H]2CCCOC2)c([N+](=O)[O-])n1 567581523 FZYFKMVCAOFOHE-WCBMZHEXSA-N 362.364 -0.031 5 20 FBBD Nc1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nc(N2CCOCC2)n1 593596730 RLUGGVKYFGCBEA-UHFFFAOYSA-N 361.318 0.157 5 20 FBBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cnn(C[C@H](O)CO)c1 597572523 YIRNHJSPVUGOEI-NSHDSACASA-N 360.330 -0.049 5 20 FBBD O=C(NCC(=O)N1C[C@@H](O)C[C@@H]1CO)NCc1ccc([N+](=O)[O-])cc1 611479524 OUFSHFXQKYEUCH-OLZOCXBDSA-N 352.347 -0.652 5 20 FBBD C[C@@H](OC(=O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)N(C)C 749976082 BBJFMGPZUVXOFC-MRVPVSSYSA-N 374.375 -0.326 5 20 FBBD Cn1ccc(=O)c(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]3C2)c1 961555219 VCFRDVZZCPIUOD-GFQSEFKGSA-N 360.370 -0.419 5 20 FBBD O=C(c1csc(O)n1)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 965376328 PEWOIYXRQUNDGB-PSASIEDQSA-N 368.371 -0.433 5 20 FBBD Cn1ncc(CCC(=O)N2CCC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n1 1019014249 WQMZNMMSZQRKLS-CHWSQXEVSA-N 362.390 -0.526 5 20 FBBD CNC(=O)NCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 1061030264 QUABYASDXYMKPB-GHMZBOCLSA-N 353.379 -0.968 5 20 FBBD COCC(=O)N(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1067392038 ZAFHBISWJGJDCE-VXGBXAGGSA-N 358.395 -0.937 5 20 FBBD Cc1nonc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1070159098 OALFSTKQYTVBKE-NXEZZACHSA-N 353.335 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CN(C)C(=O)CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421978367 GOLNIKKBTINSMA-UHFFFAOYSA-N 372.403 -0.190 5 20 FBBD Cc1sc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1[N+](=O)[O-] 467068409 KLRFGOGSONJNOF-MRVPVSSYSA-N 360.373 -0.111 5 20 FBBD CN1CCN(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 506476400 GNGYMOMFNHQFJX-UHFFFAOYSA-N 350.379 -0.056 5 20 FBBD COC[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)OC 513643238 NHHWKVCTFRLJHT-VIFPVBQESA-N 360.344 -0.084 5 20 FBBD NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 534743483 RNLMEOXJKXTQLQ-SSDOTTSWSA-N 353.353 -0.215 5 20 FBBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCCn1ccnn1 541345555 YDADYCNOGODIAP-UHFFFAOYSA-N 358.314 -0.011 5 20 FBBD NC(=O)CNC(=O)c1cccc(OC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 555581572 ADHUYARKPVRXPH-GFCCVEGCSA-N 363.330 -0.554 5 20 FBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@]1(O)CCS(=O)(=O)C1 563434391 FLQFRVNYGDSPAM-GFCCVEGCSA-N 364.401 -0.269 5 20 FBBD CNC[C@H](C)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 595981496 DIQDMCUBATXAND-VIFPVBQESA-N 359.408 -0.232 5 20 FBBD CCNC(=O)CN(C)C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 604175278 GDPBRZGVYHKXDO-UHFFFAOYSA-N 352.347 -0.072 5 20 FBBD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1cn(C)nc1[N+](=O)[O-] 847783441 GBTUADNUIHMUMA-QMMMGPOBSA-N 372.363 -0.528 5 20 FBBD O=C1CC[C@]2(C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cn3)SCCN12 847893107 MXLMGZWCTGEYGP-GFCCVEGCSA-N 372.384 -0.140 5 20 FBBD CS(=O)(=O)NC1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 859307044 JTKXNAJKVBPJQB-UHFFFAOYSA-N 353.353 -0.344 5 20 FBBD O=C(c1cnsn1)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 965373690 ALTHEJUKKIAFHY-PSASIEDQSA-N 353.360 -0.743 5 20 FBBD O=C(CCn1ccnc1)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 965433569 FWIWLUDPVGWTHH-CHWSQXEVSA-N 363.374 -0.622 5 20 FBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)Cn2ccc(C)cc2=O)C1 967952001 XDMHDUGCACCPOX-ZIAGYGMSSA-N 362.386 -0.119 5 20 FBBD CN(CC1CCN(C(=O)Cn2cnnc2O)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 988514526 VGJNHMYNRPZLAF-VXGBXAGGSA-N 366.378 -0.654 5 20 FBBD O=C(N[C@H]1C[C@@H](NCc2nnnn2CC(F)(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1022063471 BTJAYPHEFWODBY-BZNPZCIMSA-N 363.300 -0.363 5 20 FBBD COc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccn1 1042981455 RONNZLWHVDSPFO-GHMZBOCLSA-N 350.331 -0.942 5 20 FBBD CC(C)Cn1nccc1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057545592 GIAIEUWAZLVAJY-TZMCWYRMSA-N 367.406 -0.245 5 20 FBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(O)(CN2CCOCC2)CC1 1116457928 OVVWXGYQSORJBQ-UHFFFAOYSA-N 367.406 -0.215 5 20 FBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCNCC1 1349267478 AYWMAMPWFUEMIR-GHMZBOCLSA-N 363.378 -0.322 5 20 FBBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1 1601514707 HLGVCSQCJNUWKO-VXGBXAGGSA-N 365.342 -0.453 5 20 FBBD Cc1nn(C)c(N2CCO[C@H](Cn3cc(C(=O)O)nn3)C2)c1[N+](=O)[O-] 1777548305 GVWCZJSJJGNZOD-VIFPVBQESA-N 351.323 -0.168 5 20 FBBD 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FBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](N2CCNCC2=O)C1 186712720 XHZMJJUAIABBRX-LBPRGKRZSA-N 350.379 -0.396 5 20 FBBD COc1ccc(C(=O)NCC(=O)NC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] 270049378 AJHAMMDYNIVNDY-HNNXBMFYSA-N 353.331 -0.399 5 20 FBBD O=C1NC[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CCN2C1=O 270989915 UCXNYIPPPAAJQM-SSDOTTSWSA-N 370.163 -0.101 5 20 FBBD COC(=O)[C@H](CO)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 275467745 VROMNMRUIWYFGY-QMMMGPOBSA-N 352.296 -0.445 5 20 FBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cnc(O)c([N+](=O)[O-])c1 445183521 DDTNYKGCEQIGOB-VIFPVBQESA-N 351.319 -0.838 5 20 FBBD C[C@](O)(CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])CN1CCOCC1 462878238 KUCSYXRRYXIEKG-AWEZNQCLSA-N 374.419 -0.263 5 20 FBBD CC(=O)N1CC[C@@H](NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 532374752 WZMFQVZLVCQDBJ-SNVBAGLBSA-N 360.326 -0.072 5 20 FBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 574321288 SRLRGROMTKEVNW-NSHDSACASA-N 350.379 -0.388 5 20 FBBD 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CN(C)C(=O)COC1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 751944025 QACBDPGWXGUKJB-UHFFFAOYSA-N 362.342 -0.063 5 20 FBBD O=C1CC[C@H](OC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C(=O)N1 798574589 SIUPCQWWERGVDM-NSHDSACASA-N 363.282 -0.331 5 20 FBBD Cn1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)nn1 826361956 XKILDNXBXXAJFC-UHFFFAOYSA-N 365.335 -0.618 5 20 FBBD COCCCS(=O)(=O)NCCOC(=O)c1ccnc(N)c1[N+](=O)[O-] 848788568 ZYEAIOPBLYOXHW-UHFFFAOYSA-N 362.364 -0.315 5 20 FBBD CCn1cc(CC(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 953927179 UMDUJOMRWBTRHO-ZIAGYGMSSA-N 364.406 -0.045 5 20 FBBD Cn1nnc2c(C(=O)N[C@H]3C[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)ccnc21 973253961 BSHWXBJNVMZYEJ-YJFSRANCSA-N 359.346 -0.595 5 20 FBBD O=C(NC1CN(C(=O)C2(n3cnnn3)CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991289401 ZFEARQUYSFFMQZ-VXGBXAGGSA-N 363.378 -0.675 5 20 FBBD O=C(NC1CN(C(=O)c2cccc(-n3cncn3)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991298304 ZIEZUIZVQFFPFI-ZIAGYGMSSA-N 356.342 -0.127 5 20 FBBD 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360.374 -0.328 5 20 FBBD CCn1cc(S(=O)(=O)N2CC[C@@H](N3CCC(N)CC3)C2)c([N+](=O)[O-])n1 1326984091 IIUUWOWUBYCWOZ-GFCCVEGCSA-N 372.451 -0.003 5 20 FBBD O=C1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]2N1 1327320392 CZZDKPYUCOCVHT-RYUDHWBXSA-N 364.362 -0.823 5 20 FBBD C[C@H](O)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825249 IVDVDYHDBAXNSZ-NSHDSACASA-N 364.358 -0.659 5 20 FBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)CN)CC2)cc1[N+](=O)[O-] 263113022 FAIFLRLLEHHEKC-UHFFFAOYSA-N 358.376 -0.605 5 20 FBBD COc1ccc(S(=O)(=O)NCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] 264978928 SZEDPIYZVJOFCK-UHFFFAOYSA-N 358.332 -0.567 5 20 FBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(=O)N1CCOCC1 271955238 BTXIAZMHPFXDTR-NSHDSACASA-N 364.358 -0.312 5 20 FBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)[C@H]1C 276058813 BICJKOZWVMLZQY-MRVPVSSYSA-N 357.344 -0.110 5 20 FBBD COC(=O)c1cn(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])nn1 286341057 GUEOWYKFUVJVRU-UHFFFAOYSA-N 370.347 -0.268 5 20 FBBD COC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])[nH]n3)CC2)nn1 288151735 LLAHJXINCBOGJH-UHFFFAOYSA-N 361.318 -0.143 5 20 FBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@]12CCNC2 364573093 ALHJWLIFRVTEJE-ZFWWWQNUSA-N 368.415 -0.011 5 20 FBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(S(C)(=O)=O)C1 456955343 PTWIXMQIWBBSEX-SECBINFHSA-N 355.372 -0.032 5 20 FBBD COC(=O)CCN1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1=O 500508082 MMRDEPBQIIGPGU-NSHDSACASA-N 353.335 -0.538 5 20 FBBD Cc1c(C(=O)NCCNC(=O)N(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 516858926 KVMJCAXQUGUJTA-UHFFFAOYSA-N 373.391 -0.448 5 20 FBBD COc1ccc(C(=O)NCC(=O)NCC(C)(C)C(N)=O)cc1[N+](=O)[O-] 543931961 MQCDNBADXLAFHK-UHFFFAOYSA-N 352.347 -0.039 5 20 FBBD Nc1nc(C(=O)NCc2ccccc2[N+](=O)[O-])nc(N2CCOCC2)n1 557540832 ILQVTQGUFZTNMX-UHFFFAOYSA-N 359.346 0.129 5 20 FBBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CNCCO1 570068140 OMIHNFVGACURSN-CYBMUJFWSA-N 352.347 -0.806 5 20 FBBD O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC(=O)N1CCNCC1 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FBBD COCCNC(=O)CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 69644210 PZDUXCHCVVPUIP-UHFFFAOYSA-N 362.346 -0.024 5 20 FBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O 275018179 CVJPTHWCGXDDCH-QMMMGPOBSA-N 361.332 -0.400 5 20 FBBD Cn1c(=O)ccn(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1=O 296863014 GNPZBXIHTXUIRR-UHFFFAOYSA-N 374.357 -0.801 5 20 FBBD CNS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 299063714 UEJYIEJWFDWNRY-UHFFFAOYSA-N 358.376 -0.175 5 20 FBBD Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 374838305 KUIZZUKXPUTSBG-GFCCVEGCSA-N 373.435 -0.045 5 20 FBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCn2cnnc2C1 521966177 PVRNEMFKSJYEDA-UHFFFAOYSA-N 358.314 -0.046 5 20 FBBD CCn1cc(S(=O)(=O)N[C@@](C)(COC)C(=O)OC)c([N+](=O)[O-])n1 533636141 ZWGNOAWUAKEZLO-NSHDSACASA-N 350.353 -0.332 5 20 FBBD CNc1nccc(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1[N+](=O)[O-] 575193394 FTPLOMCWKFWKGD-MWLCHTKSSA-N 351.363 0.397 5 20 FBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1 581661256 GJRPESDFNUKJNE-LBPRGKRZSA-N 362.390 -0.541 5 20 FBBD C[C@@H](N)[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 592476338 AEBOIVGTTGIDJR-RISCZKNCSA-N 365.390 -0.031 5 20 FBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 598030299 UGEWFUZNNIIPKS-ZANVPECISA-N 372.355 -0.092 5 20 FBBD NC(=O)N1CC[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598897480 FFNZETYCMGMGMB-SNVBAGLBSA-N 350.335 -0.015 5 20 FBBD CN(CC(=O)OCc1nnnn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738674215 ORCPCKZQCFAZAX-UHFFFAOYSA-N 370.347 -0.518 5 20 FBBD NC(=O)CS(=O)(=O)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 766922367 MQRBMJQJRVINKA-UHFFFAOYSA-N 353.316 -0.675 5 20 FBBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N(CCO)CCOCCO 849400343 VIBAARSDINWARV-UHFFFAOYSA-N 352.340 -0.274 5 20 FBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cnc2n1CCOC2 850878757 MMOURZRDFLWEJW-UHFFFAOYSA-N 353.316 -0.165 5 20 FBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NN1CCOC1=O 862700669 ZPJGYBPZWQJMLH-UHFFFAOYSA-N 358.332 -0.253 5 20 FBBD COc1c[nH]c(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O 946701356 ZRTSQNXSKPVESX-ZYHUDNBSSA-N 364.358 -0.231 5 20 FBBD CCn1nc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccc1=O 947803547 HVBBAVCHJRYPGL-DGCLKSJQSA-N 363.374 -0.351 5 20 FBBD O=C(NCC1CCN(C(=O)CCn2cncn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 948788999 HVXWSPYXDQRMGN-CHWSQXEVSA-N 350.379 -0.312 5 20 FBBD CCn1nnc(C)c1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 978798667 ISUPXGMNDGYKBQ-WRWGMCAJSA-N 350.379 -0.104 5 20 FBBD CN(C)CCn1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 1002186095 ZUYFAFXTBHOOCT-ZIAGYGMSSA-N 364.406 -0.702 5 20 FBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CN(Cc3nc(C4CC4)n[nH]3)C2)C1 1053253517 MLAOZOLZOJYIBA-VXGBXAGGSA-N 362.390 -0.240 5 20 FBBD O=C(NCCN(CCO)C(=O)c1ncc(F)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] 1058042940 SAJWJEVMCCDOQO-MWLCHTKSSA-N 358.301 -0.424 5 20 FBBD Cc1cc(CCC(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 1058786109 HHPTZZONYCHGAF-CHWSQXEVSA-N 354.363 -0.482 5 20 FBBD O=C(Cn1cccn1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1069985177 GOOCAJBYLUOVON-VXGBXAGGSA-N 351.363 -0.670 5 20 FBBD CS(=O)(=O)NC1CN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 1580163519 BALBKQDNSAKKBC-UHFFFAOYSA-N 357.327 -0.348 5 20 FBBD Cn1c(NCCc2ccc([N+](=O)[O-])cc2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592555859 YDXAJMIDSMXPIB-UHFFFAOYSA-N 372.345 -0.173 5 20 FBBD CS(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 52854659 YIQHZJNWDGPRKH-UHFFFAOYSA-N 370.387 -0.572 5 20 FBBD NC(=O)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 265754312 AUAIPSJYVDVRFR-UHFFFAOYSA-N 356.360 -0.697 5 20 FBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 268309185 AYDADMKIZFIEDW-ZJUUUORDSA-N 359.360 -0.085 5 20 FBBD COc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1[N+](=O)[O-] 269529505 YAXYQMZOICGDIX-NSHDSACASA-N 356.404 -0.119 5 20 FBBD COC[C@@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OC 273009905 SBVWKCVWWUSDOG-SECBINFHSA-N 351.315 -0.032 5 20 FBBD COCCNC(=O)CNc1ccc(C(=O)NCC(=O)OC)cc1[N+](=O)[O-] 298205097 YNDBFERFCQZMCB-UHFFFAOYSA-N 368.346 -0.328 5 20 FBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@@]12CCNC2 372426420 MNFZXEAAWFNADI-XHDPSFHLSA-N 368.415 -0.011 5 20 FBBD COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 447929854 JRDGRTCRZDCCJK-JTQLQIEISA-N 371.371 -0.126 5 20 FBBD COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 447934853 BOBFEQXXGSGQNP-LLVKDONJSA-N 357.344 -0.602 5 20 FBBD C[C@H]1CO[C@@H](CO)CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 450197913 QSZZADVDJOUCCL-WDEREUQCSA-N 373.387 -0.519 5 20 FBBD COCC[C@@H](CO)NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 467823429 WFKJLQHVFCHXAA-NSHDSACASA-N 355.347 -0.153 5 20 FBBD NS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 503885903 PNDZHMXUUBKUMX-LBPRGKRZSA-N 363.417 -0.170 5 20 FBBD C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 752877587 DCCVYPCZNIGJTB-VIFPVBQESA-N 368.371 -0.109 5 20 FBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@](O)(C(N)=O)C1 803162308 VAZOSYNCYGHIHV-OAHLLOKOSA-N 367.314 -0.757 5 20 FBBD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cn(CC(=O)O)nn1 827839660 XOKBPICGFHCNKO-QMMMGPOBSA-N 351.275 -0.263 5 20 FBBD Cn1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1O 952789786 ZHZBLIFADJNBAB-LSCVPOLPSA-N 363.374 -0.004 5 20 FBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cccnc2C(N)=O)C1 967947431 WAOJWMAKSUSQFA-VXGBXAGGSA-N 361.358 -0.481 5 20 FBBD O=C(c1ncc[nH]1)N1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 994797715 PDLYXWBOXLJNGT-CHWSQXEVSA-N 363.374 -0.093 5 20 FBBD O=C(c1cnon1)N1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 994799238 ZPLSCLBVXZRDRQ-DGCLKSJQSA-N 365.346 -0.433 5 20 FBBD COCCn1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1011112861 RTHLPMUIVGTMOS-DGCLKSJQSA-N 351.363 -0.521 5 20 FBBD Cn1[nH]c(CN2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)C2)nc1=O 1035186944 MQJHGABMAJANPH-VXGBXAGGSA-N 364.406 -0.412 5 20 FBBD COc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1 1045493109 CFLIXSAJJYMBFW-ZIAGYGMSSA-N 363.370 -0.028 5 20 FBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNC(=O)C12CCCN1CCC2 1057543552 OBZDZQKMFUXLHQ-CHWSQXEVSA-N 354.407 -0.783 5 20 FBBD CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC1CS(=O)(=O)C1 1067389513 BEFDWJDHMHHJPM-VXGBXAGGSA-N 361.420 -0.607 5 20 FBBD O=C(CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)Nc1cnccn1 1072725856 UBGGTGSFQTZHMZ-VXGBXAGGSA-N 360.374 -0.385 5 20 FBBD CC(=O)CCCC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1080855676 WUUMCNTVJDIJEE-CHWSQXEVSA-N 355.391 -0.119 5 20 FBBD Cn1nncc1C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843388530 RZKZUHXYZKSOHB-UHFFFAOYSA-N 360.334 -0.423 5 20 FBBD CNC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 264842871 KKSSIEPOAOLSSM-GFCCVEGCSA-N 370.387 -0.390 5 20 FBBD CCS(=O)(=O)NCCS(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1 268039833 NRHDFWIQCGJRTP-UHFFFAOYSA-N 365.433 -0.004 5 20 FBBD COCCNC(=O)CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 274588205 IVAAEYRRVGNDSK-UHFFFAOYSA-N 366.374 -0.179 5 20 FBBD NS(=O)(=O)CCN1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 275171529 WYDMPAOOZAGVHE-UHFFFAOYSA-N 358.376 -0.653 5 20 FBBD O=C(NCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 474480218 ZTOPEAZZBPIVFB-NSHDSACASA-N 361.314 -0.913 5 20 FBBD O=C(NCC(=O)N1CCNCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 519644235 WQJRKIJDULPLAI-UHFFFAOYSA-N 350.331 -0.472 5 20 FBBD COC(=O)CNC(=O)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 534316729 WHVSCSLAVFODQN-UHFFFAOYSA-N 361.314 -0.201 5 20 FBBD Cc1c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] 595242309 RYYGNGMMFKFSPQ-MNOVXSKESA-N 361.358 -0.388 5 20 FBBD C[C@@]1(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCNC1 597435581 YEUFKZRQRDRWRO-CQSZACIVSA-N 371.419 -0.076 5 20 FBBD Cc1c([C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)O)cnn1C 600653780 NUABECWJJJUQHN-VIFPVBQESA-N 358.336 -0.526 5 20 FBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCc1nnnn1C 611334797 ZAMHECZBBDLILB-VIFPVBQESA-N 351.371 -0.290 5 20 FBBD CN(CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])S(C)(=O)=O 612655304 KRNTYEFLJQNUCR-UHFFFAOYSA-N 366.421 -0.064 5 20 FBBD O=[N+]([O-])c1ccnn1CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 779870882 ZYLLWONRUORDPX-GFCCVEGCSA-N 359.408 -0.125 5 20 FBBD COc1coc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O 973256736 VLVZBMUQZSGBBS-ZYUZMQFOSA-N 351.315 -0.309 5 20 FBBD Cc1noc(CCCC(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1042979013 UQNDJNPBSGIYBP-GHMZBOCLSA-N 367.362 -0.945 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cncc(Cl)c1 1043888679 HUIPNLYTSANDAU-GHMZBOCLSA-N 354.750 -0.297 5 20 FBBD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc2nonc2c1 1057544815 LZZKLWTXPWSCKN-ZWNOBZJWSA-N 363.330 -0.561 5 20 FBBD CN(C)S(=O)(=O)NCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1328287277 CQTRQLYRWNNUME-UHFFFAOYSA-N 360.396 -0.649 5 20 FBBD O=[N+]([O-])c1ccc(N2CCN3[C@H](CNS3(=O)=O)C2)c(-c2nn[nH]n2)c1 1593478059 AFLGLCRUGFRPHU-SECBINFHSA-N 366.363 -0.887 5 20 FBBD O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)CCF)c1-c1nn[nH]n1 1593483835 LMYGVMNLMKBFNV-ZETCQYMHSA-N 360.327 -0.226 5 20 FBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@H]1CNC(=O)CCN 193664657 NPQSMQZNOQELKN-GFCCVEGCSA-N 352.395 -0.054 5 20 FBBD COc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 271857262 DKSDZFGWWZIKQH-UHFFFAOYSA-N 359.360 -0.260 5 20 FBBD COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 272798080 AIGYGUFUAJPHJC-YPMHNXCESA-N 365.342 -0.232 5 20 FBBD CN(CC(=O)NCCOC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 273097446 PBKOUILKLWQZNU-UHFFFAOYSA-N 360.348 -0.573 5 20 FBBD CS(=O)(=O)CCNc1ccc([N+](=O)[O-])c(NCCS(C)(=O)=O)n1 276601523 RHFLFIVUUPCJNZ-UHFFFAOYSA-N 366.421 -0.097 5 20 FBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](O)C(=O)OC 392186601 FQYWUJCWXJTPKY-VIFPVBQESA-N 362.316 -0.806 5 20 FBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCc1nc(=O)o[nH]1 447632193 GBSSXHYOAXUONK-UHFFFAOYSA-N 361.270 -0.774 5 20 FBBD 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Cc1nnc2ccc(C(=O)N3CC(N(C)C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)cn12 954240553 RQFPJBJPVBRWCJ-CHWSQXEVSA-N 358.358 -0.014 5 20 FBBD O=C(N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21)c1cn(CC2CC2)nn1 977098671 SOIPGFLQQFJGQI-BLUODKFWSA-N 360.374 -0.460 5 20 FBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(NC(=O)C2(N3CCOCC3)CCC2)C1 998893022 NUAFKKJMVJLIHF-CHWSQXEVSA-N 352.391 -0.767 5 20 FBBD CC1(C)NC(=O)N(CCCN2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1=O 1030294389 FVEWEOQBLABART-GHMZBOCLSA-N 353.379 -0.828 5 20 FBBD O=C(NCC1(O)CN(C(=O)CCc2cncc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042981609 YBXDVOXQCFQRGJ-CHWSQXEVSA-N 366.349 -0.492 5 20 FBBD CCn1nc(C)cc1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057546990 NEUTZQNLRMLURK-VXGBXAGGSA-N 353.379 -0.573 5 20 FBBD O=C(NCC1CC1)C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1061006439 YYYIUAWURVQVCU-CHWSQXEVSA-N 364.402 -0.371 5 20 FBBD Cc1[nH]nc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] 1115995680 VJVZHGFUIRLNLY-JTQLQIEISA-N 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C[C@@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 546880437 UOYAZZOJQHBGQK-CQSZACIVSA-N 359.404 -0.044 5 20 FBBD C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nncn1C 557665481 SXZPQWJHLIPZLD-VIFPVBQESA-N 368.375 -0.121 5 20 FBBD NC(=O)[C@H]1CC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 567247471 HPBQHFLWXIJPOQ-NWDGAFQWSA-N 370.387 -0.499 5 20 FBBD CNc1nccc(C(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)c1[N+](=O)[O-] 594346481 NYKYPWQULLSDMX-NWDGAFQWSA-N 368.390 0.518 5 20 FBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@]1(OCCO)CCOC1 597994714 KITFTMUGPSFUFG-MRXNPFEDSA-N 367.358 -0.391 5 20 FBBD COC[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(N)=O 760065544 YNVOXEJJHRTMSD-JTQLQIEISA-N 366.330 -0.101 5 20 FBBD O=Cc1ccc(OCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 778855043 HCJHJMVPGOUMAD-NSHDSACASA-N 362.298 -0.451 5 20 FBBD Cn1nncc1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 803211206 LMCYJKWODIQKFB-UHFFFAOYSA-N 373.281 -0.255 5 20 FBBD CCOC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825517643 IWRDBNPXPJCNJT-UHFFFAOYSA-N 356.320 -0.384 5 20 FBBD Cn1cnc(C(=O)N2CCC3(CC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n1 944381868 SLVGNXGIGCQHLF-VXGBXAGGSA-N 362.390 -0.065 5 20 FBBD Cc1ncc(CC(=O)N2CC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)o1 965375259 KEZZDGHWNMUZRU-CHWSQXEVSA-N 364.358 -0.369 5 20 FBBD Cc1c(C(=O)N2CC3(CCCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)nnn1C 1010594932 XUIJSCCQQFDFJS-VXGBXAGGSA-N 362.390 -0.147 5 20 FBBD Cn1nc(C(=O)N2CC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)ccc1=O 1019460912 YFEAIWSHPVFXRU-ZYHUDNBSSA-N 361.358 -0.880 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1coc(CC2CC2)n1 1045581814 DIATTZFESWMDSM-ZYHUDNBSSA-N 364.358 -0.405 5 20 FBBD O=C(COCC1CC1)NC1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1055574971 GRQYGNNLLPTOTC-HUUCEWRRSA-N 368.434 -0.225 5 20 FBBD Cn1ncc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1Cl 1057545547 DHHLREVEXRDCEH-PSASIEDQSA-N 359.770 -0.711 5 20 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Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)n1 599222649 CSSBIKDTIDOHEP-MRVPVSSYSA-N 367.409 -0.969 5 20 FBBD Cc1c(C(=O)OCC(=O)NC2CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 735539592 PUPYFDLMNSGLPA-UHFFFAOYSA-N 357.344 -0.014 5 20 FBBD Cc1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)O)ccc1[N+](=O)[O-] 738479786 WWEWIUIJUPBKDP-NSHDSACASA-N 357.344 -0.133 5 20 FBBD NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 773330776 CZOFUTIOBMDOQI-SSDOTTSWSA-N 353.353 -0.215 5 20 FBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)c2cc3n(n2)CCCO3)n1 861327309 WSAXBTUUGOOYKE-UHFFFAOYSA-N 356.320 -0.574 5 20 FBBD O=C(c1ccnc(F)c1)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 965337249 CNOOUKZGVJFKNW-VXGBXAGGSA-N 364.333 -0.061 5 20 FBBD O=C(N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21)c1ccc2nn[nH]c2n1 976685001 SXFIMIRQFZRURJ-QULYMQOASA-N 357.330 -0.795 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc2nccn2c1 1043900424 YOXLELVYOYHTSB-VXGBXAGGSA-N 359.342 -0.697 5 20 FBBD Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(Cl)n1 1043904089 JCALCUNSGAPGGV-VXNVDRBHSA-N 357.754 -0.958 5 20 FBBD O=C(NCCN(CCO)C(=O)c1cncc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] 1058095316 BCNRFOXERGSJSZ-VXGBXAGGSA-N 356.766 -0.049 5 20 FBBD CN(C)C(=O)CN1CCN(c2nnc(-c3nc[nH]c3[N+](=O)[O-])n2C)CC1 1122899477 QZJACFOBPVMKCK-UHFFFAOYSA-N 363.382 -0.676 5 20 FBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1261843451 HSKIHLMAWFIQFU-OAHLLOKOSA-N 367.362 -0.431 5 20 FBBD C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 63865988 KIVVCCJWRPXBDF-LLVKDONJSA-N 364.358 -0.312 5 20 FBBD CNS(=O)(=O)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 275816966 AAVHOYAXYDIRNT-UHFFFAOYSA-N 354.348 -0.546 5 20 FBBD C[C@H]1CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC(=O)N1C 288494393 NXYHOMGYVBXVMK-VIFPVBQESA-N 374.357 -0.224 5 20 FBBD NCCCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 417340826 MVXKNLHMVLEMPF-UHFFFAOYSA-N 359.408 -0.089 5 20 FBBD CNS(=O)(=O)CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 426222379 KFXMPFZSVJJWCQ-UHFFFAOYSA-N 360.396 -0.313 5 20 FBBD CNc1nc(C(=O)NCC(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] 455612692 DLDLATZVBCMYMK-UHFFFAOYSA-N 366.378 -0.790 5 20 FBBD COCC[C@@H](CO)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 467826994 QNSSWSMHSLMNLE-LBPRGKRZSA-N 354.363 -0.092 5 20 FBBD O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)CCOc1ccccc1 744302036 SYFIOHYGECPGQD-UHFFFAOYSA-N 355.332 -0.289 5 20 FBBD Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c(=O)n2C 819919596 GNKYUMQGLMUDCM-UHFFFAOYSA-N 373.329 -0.437 5 20 FBBD NS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 839733164 IQWIXKORDMDRAH-ZYHUDNBSSA-N 354.388 -0.352 5 20 FBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)Cn2nnc3c2CCCC3)C1 954243532 QPAWXJYAXRWMSP-BXUZGUMPSA-N 362.390 -0.509 5 20 FBBD O=C(NC1CN(C(=O)Cn2c(=O)oc3ccccc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991287197 PRDZYXTXAJCXKD-ZYHUDNBSSA-N 360.326 -0.413 5 20 FBBD CC(=O)NCc1cccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 991839484 COWDILZQKDZBMB-HUUCEWRRSA-N 360.370 -0.072 5 20 FBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(Cl)cn1 1044283600 WCWXFCANDSERBZ-MWLCHTKSSA-N 354.750 -0.297 5 20 FBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(O)(CNC(=O)C2(C(F)(F)F)CC2)C1 1047100648 SLPHSANPJOYPKV-HTQZYQBOSA-N 351.281 -0.316 5 20 FBBD O=C(CCOCC(F)(F)F)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057545726 MECHYBCYFQCHNX-NXEZZACHSA-N 371.312 -0.442 5 20 FBBD O=C(NCCN(CCO)C(=O)c1coc(CC2CC2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] 1058670749 VWFVITRKLYXTSR-DGCLKSJQSA-N 366.374 -0.157 5 20 FBBD Cc1ncncc1C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074495614 ZMQOZJUSSGDTTL-DGCLKSJQSA-N 363.374 -0.466 5 20 FBBD COc1cccc(CNC(=O)CNCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1126943962 XJGOIGMCMXRLOG-ZIAGYGMSSA-N 350.375 -0.318 5 20 FBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](n2cc(CO)nn2)C1 1347747478 RRCYLSJETCTRSA-LBPRGKRZSA-N 362.346 -0.296 5 20 FBBD CN(CC(=O)N1CCOCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1753364146 QOJPAPFSILAQFN-HUUCEWRRSA-N 368.434 -0.319 5 20 FBBD CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008894 MUDNGYKUCSKEFB-RBLKWDMZSA-N 367.362 -0.708 5 20 FBBD C[C@@H](C(=O)NC1CC1)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 174711208 IFKXPEZOEIXKGV-SWLSCSKDSA-N 366.422 -0.563 5 20 FBBD NC(=O)CN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 264254229 NWRKEQBVVCVJNV-UHFFFAOYSA-N 350.331 -0.391 5 20 FBBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CC(=O)N2CCNC2=O)CC1 265876057 NIAJTRXCTKHZRW-UHFFFAOYSA-N 361.358 -0.096 5 20 FBBD CCNC(=O)[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 266800091 GODQFCVCROHHBR-MRVPVSSYSA-N 358.376 -0.195 5 20 FBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 268394182 QFRWDPDSAPBUOD-WDEREUQCSA-N 359.408 -0.066 5 20 FBBD CS(=O)(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 272967927 UVEBKOLVZFCKRG-LBPRGKRZSA-N 359.404 -0.088 5 20 FBBD COC(=O)[C@]1(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCOC1 274480792 AXYYWTOYAUVASK-HNNXBMFYSA-N 351.315 -0.227 5 20 FBBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](CNS(N)(=O)=O)C2)n1 280976684 MSXXTGFFGHTFAA-VIFPVBQESA-N 373.391 -0.214 5 20 FBBD C[C@H](CO)N(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 285776963 SPEWEPWTQVVNBS-SECBINFHSA-N 360.392 -0.117 5 20 FBBD CN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C(N)=O 295861114 DZYMBCHLQDHQPQ-UHFFFAOYSA-N 372.403 -0.062 5 20 FBBD COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 457233495 MZFMLDUIEITCAL-XDTLVQLUSA-N 365.342 -0.152 5 20 FBBD O=C(Cn1cnnc1O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 558018748 CNFJCHKUGPCZRH-UHFFFAOYSA-N 360.330 -0.124 5 20 FBBD COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] 577078308 YVQVVZXDBXSKDI-PRHODGIISA-N 360.344 -0.645 5 20 FBBD NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 595104559 JYSNWKVVWSDKED-SNVBAGLBSA-N 357.392 -0.535 5 20 FBBD COC(=O)C[C@H](O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 600472597 TUCYWELSQSKSGA-VIFPVBQESA-N 360.344 -0.348 5 20 FBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCc1nc[nH]n1 604460850 GEFCXIIRKGXCNA-UHFFFAOYSA-N 354.348 -0.302 5 20 FBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1(O)CCN(C)C1 613034726 JXRCGZOUZMHNIP-BZNIZROVSA-N 350.375 -0.104 5 20 FBBD COC(=O)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)O 619470333 JFYMKWMQEUYMNX-ZETCQYMHSA-N 362.316 -0.102 5 20 FBBD O=C1CN(CCCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1 765141228 GJYUHKYDYNJOAE-UHFFFAOYSA-N 360.374 -0.117 5 20 FBBD COCCCS(=O)(=O)NCCOC(=O)c1nn(C)cc1[N+](=O)[O-] 772057473 INJWPDHIRPBZSF-UHFFFAOYSA-N 350.353 -0.559 5 20 FBBD O=[N+]([O-])c1cccc([C@H](O)CNCCS(=O)(=O)N2CCOCC2)c1 818989678 RBDCVKZIJONPKE-CQSZACIVSA-N 359.404 -0.120 5 20 FBBD CN1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 821627400 ZNTCTMPFLZNFHR-GFCCVEGCSA-N 363.378 -0.238 5 20 FBBD CN1C(=O)CN(CC(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1=O 860304402 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CCc1[nH]nc(C(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)c1[N+](=O)[O-] 501820921 CCKMQAKBEUTINO-SECBINFHSA-N 353.335 -0.226 5 20 FBBD COC[C@@](C)(O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 531496719 JLJUCTQTXHAXMM-CYBMUJFWSA-N 361.376 -0.613 5 20 FBBD CN1CC[C@](O)(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 547276724 YGLKKXMDEMYVDU-INIZCTEOSA-N 364.358 -0.497 5 20 FBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 594825896 DAKVPCMZUQVZHJ-MWLCHTKSSA-N 364.401 -0.006 5 20 FBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCNC1=O 595659885 QRRNFOIXGWWABO-NSHDSACASA-N 356.360 -0.444 5 20 FBBD CS(=O)(=O)N1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 613906987 RTLBPALADVVZCX-UHFFFAOYSA-N 372.403 -0.393 5 20 FBBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CN1CC(=O)NC1=O 731912647 WMXLALYNTQQEAX-UHFFFAOYSA-N 366.286 -0.363 5 20 FBBD Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)NCC(=O)N1CCCC1 744661286 APXVQKXKMBXDRS-UHFFFAOYSA-N 353.335 -0.618 5 20 FBBD O=C(NCC(=O)N1CCCS1(=O)=O)NCc1ccc([N+](=O)[O-])cc1 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374.357 -0.286 5 20 FBBD Nc1ccccc1S(=O)(=O)NCC(=O)OCCn1ccc([N+](=O)[O-])n1 800232954 RUESIFKBVWRUPH-UHFFFAOYSA-N 369.359 -0.105 5 20 FBBD CCS(=O)(=O)CCNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 818980706 ILDZLUZGRMTFJA-UHFFFAOYSA-N 365.433 -0.103 5 20 FBBD Nc1ccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1[N+](=O)[O-] 823988302 VPUMAXRRWRZZCJ-UHFFFAOYSA-N 372.407 -0.385 5 20 FBBD CN1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1=O 826028611 DIXFBSFNNMBNIL-ZETCQYMHSA-N 367.347 -0.716 5 20 FBBD O=C(NC[C@H]1CSCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[C@H]1[N+](=O)[O-] 839717168 JAMHRRINPOQLGQ-VPJKUYQRSA-N 358.376 -0.623 5 20 FBBD Cc1cc(S(=O)(=O)N2CC(NS(C)(=O)=O)C2)cc([N+](=O)[O-])c1F 859307494 ZQFJFRPCKWGXRH-UHFFFAOYSA-N 367.380 -0.036 5 20 FBBD O=C(Cc1cccnc1)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 965361852 WTPVZQQTNFVIOB-ZIAGYGMSSA-N 360.370 -0.271 5 20 FBBD O=C(N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21)c1cnc2n1CCOC2 976756939 SJRNXWSQSBCTLG-QEGBUVANSA-N 361.358 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