smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(S(=O)(=O)NCCC/N=[N+](\[O-])C(CO)(CO)[N+](=O)[O-])cc1 59738135 DRFKVNVLHDHSKZ-PEZBUJJGSA-N 376.391 -0.416 5 10 GBBE CN1CCOC[C@@H]1CNc1nc(NC[C@@H]2COCCN2C)c([N+](=O)[O-])s1 599160079 DJRUDTXWNNOEEF-NEPJUHHUSA-N 386.478 0.536 5 10 GBBE CN1CCN(C(=O)CC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CC1 1318343641 BZYNIQRVOVGSKE-UHFFFAOYSA-N 379.421 -0.411 5 10 GBBE O=C(CCC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)c1cccc([N+](=O)[O-])c1 1558509002 UOVKUGLMNZKMNC-CYBMUJFWSA-N 382.398 -0.082 5 10 GBBE CCS(=O)(=O)N1CCC(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1611316197 MQKBAOPXEYUPEK-UHFFFAOYSA-N 386.430 -0.066 5 10 GBBE C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 1872599632 QKTGMORDYHSDSX-LBPRGKRZSA-N 386.430 -0.290 5 10 GBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CN2CCN1CC2 273650662 YYRYQGXQHJPMIU-LBPRGKRZSA-N 384.414 -0.341 5 10 GBBE C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 557215925 SVFYXLYRTCEBKI-GFCCVEGCSA-N 388.388 -0.565 5 10 GBBE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 1473858436 MYJJKUQVXNZDFC-AWEZNQCLSA-N 376.369 -0.201 5 10 GBBE CO[C@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCS(=O)(=O)C1 1533356517 NLLQQSULSOKWRW-OAHLLOKOSA-N 384.414 -0.158 5 10 GBBE C[C@@H](O)CN=c1nc(N2CC(O)C2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576154 IIIPXSLOKZPKNA-MRVPVSSYSA-N 395.807 -0.006 5 10 GBBE C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 1872598921 KXBAYRJXGDGORD-GFCCVEGCSA-N 386.430 -0.290 5 10 GBBE CN(C)S(=O)(=O)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 477083014 BONYHDLHWZAFCZ-SNVBAGLBSA-N 392.459 -0.027 5 10 GBBE CN(CC(=O)N1CCn2nncc2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 566421897 WNGHLPYTFITGBJ-UHFFFAOYSA-N 380.386 -0.151 5 10 GBBE O=C(C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1118263793 VRHREDZBFOHPKW-LKLRLBKWSA-N 392.437 -0.025 5 10 GBBE CC(=O)N1CCN(C(=O)CCNC(=O)N=c2c(C)c[nH]cc2[N+](=O)[O-])CC1 1203059185 DEICHZWYQPAXEY-UHFFFAOYSA-N 378.389 -0.078 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@@H](O)[C@@H](C)O)cc2[N+](=O)[O-])CC1 1301672652 VTRQWUBBTSSJSH-BDJLRTHQSA-N 380.401 -0.265 5 10 GBBE CS(=O)(=O)NCC1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 565436307 QLVMDABSHFOKJP-UHFFFAOYSA-N 378.432 -0.060 5 10 GBBE NC(=O)c1cc(N2CCN(CC(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] 596058357 FQCDHBJSOLJNDI-UHFFFAOYSA-N 377.401 -0.326 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 609542464 BAAAWQAAYJAZHX-MRVPVSSYSA-N 376.416 -0.328 5 10 GBBE O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 531623863 VQIJFGRWMPIXDX-UHFFFAOYSA-N 375.341 -0.577 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)NCCCN2CCNC(=O)C2)c([N+](=O)[O-])c1 1183030095 MVGZVEUGOAKFAQ-UHFFFAOYSA-N 384.414 -0.450 5 10 GBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 593651780 RIGZTGLJQAXFMF-GFCCVEGCSA-N 385.398 -0.179 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc4nnnn4n3)CC2)cc1 54448096 LDSRIIMHDGECAI-UHFFFAOYSA-N 390.385 -0.062 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)N[C@H](CO)C(=O)O)c1 585861164 OHWPHWSABCBOTO-SNVBAGLBSA-N 386.386 -0.757 5 10 GBBE COc1cc(OCC(=O)N2CCN3CCOC[C@@]3(CO)C2)ccc1[N+](=O)[O-] 1178894293 SSEKMEMYIGJAED-KRWDZBQOSA-N 381.385 -0.112 5 10 GBBE COC(=O)CN(CCN1CCOCC1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1627042744 VWRXRAVYJKPOOO-UHFFFAOYSA-N 375.769 -0.081 5 10 GBBE O=C(NCC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21)c1cccc([N+](=O)[O-])c1 1637636836 UTNKHEMHHXVXID-KBPBESRZSA-N 397.409 -0.261 5 10 GBBE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Oc1ncc([N+](=O)[O-])c(=N)[nH]1 2128137030 OAQYQEXDBBKVSM-VXNVDRBHSA-N 389.390 -0.134 5 10 GBBE CC(=O)NCCNC(=O)[C@@H](CC(N)=O)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861125969 LWJRZPPVZJRGHC-BTKRWWFXSA-N 391.384 -0.780 5 10 GBBE N=c1nc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)c([N+](=O)[O-])c[nH]1 2173805726 KZZAUIGHKSMXNT-RITPCOANSA-N 377.283 -0.844 5 10 GBBE Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 542771513 FRCSOTWSOTVABQ-UHFFFAOYSA-N 378.389 -0.811 5 10 GBBE CC[C@H](C)[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 1353683678 FKFCNJYLGJIEFL-JSGCOSHPSA-N 396.448 -0.079 5 10 GBBE COc1cc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])cc1F 600706606 FMTXTZCHSANINV-UHFFFAOYSA-N 376.366 -0.037 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCN(CCN2CCOCC2)C1 1136743212 LKCVIPYIQPXJIT-CQSZACIVSA-N 379.417 -0.721 5 10 GBBE O=C1CS(=O)(=O)C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 1529940721 BFBMQWYHWGLLCU-ZDUSSCGKSA-N 382.398 -0.843 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)n1 427384608 OTKPAVYXZJVZLK-UHFFFAOYSA-N 389.434 -0.065 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F 579475243 YLPDVUDFJDFKFW-LLVKDONJSA-N 378.357 -0.014 5 10 GBBE CN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCS(=O)(=O)C1 22903697 QAGNSHRJNNBGTD-JTQLQIEISA-N 381.366 -0.164 5 10 GBBE C[C@H]1CN(CCO)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 457112620 GBHVLNFTBIKDKP-ZDUSSCGKSA-N 379.417 -0.081 5 10 GBBE NCCCOCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 861806528 GXVJTEFHPVTJOS-UHFFFAOYSA-N 379.417 -0.275 5 10 GBBE COC[C@@H](CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC 1118498556 JNRQLKUCXPNLJZ-CQSZACIVSA-N 395.416 -0.194 5 10 GBBE O=Cc1ccc(OCC(=O)NC[C@]23COCCN2C(=O)COC3)c([N+](=O)[O-])c1 1557972918 CWBUMJXZMICBPH-QGZVFWFLSA-N 393.352 -0.470 5 10 GBBE CN(CC(=O)N1CC(n2ccnn2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 374795380 BFMDBLFDPYLGCR-UHFFFAOYSA-N 380.386 -0.110 5 10 GBBE O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C2(CN1)COC2 1133143007 YNLFQSZKURNFOI-UHFFFAOYSA-N 376.369 -0.228 5 10 GBBE C[S@@](=O)C1(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1467418685 VJFSYFSLJUMCJE-HSZRJFAPSA-N 375.428 -0.100 5 10 GBBE O=C(NCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21)c1cccc([N+](=O)[O-])c1 1637636839 UTNKHEMHHXVXID-ZIAGYGMSSA-N 397.409 -0.261 5 10 GBBE CCc1ccc(N=c2[nH]c(=NC[C@@H](C)O)[nH]c(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871463621 FBSCVKMQUAZRQW-GHMZBOCLSA-N 391.432 -0.063 5 10 GBBE Cn1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])c1=O 1890788935 HRJUABFRFFTIMS-UHFFFAOYSA-N 380.382 -0.087 5 10 GBBE NC(=O)[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2cc(N)c([N+](=O)[O-])cn2)C1 2173845063 JBEOMOSIOFDSPT-NKWVEPMBSA-N 376.295 -0.069 5 10 GBBE NC(=O)[C@@H](O)CNC(=O)c1ccc(I)c([N+](=O)[O-])c1 2278612404 GOQFSUSWZYJOAK-QMMMGPOBSA-N 379.110 -0.225 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265689670 YDVIXYVZWZGRBF-CYBMUJFWSA-N 384.414 -0.048 5 10 GBBE CNC(=O)CN1CCCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 365894356 RNFZNRXUMMSPOL-UHFFFAOYSA-N 385.446 -0.239 5 10 GBBE Cn1ccnc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)c1=O 593556737 NDVHRKCZQYEILB-UHFFFAOYSA-N 380.386 -0.406 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)NCCN2CCCCCC2)n1 599317416 IQIFPOTWWSVQGR-UHFFFAOYSA-N 388.450 -0.401 5 10 GBBE CS(=O)(=O)CCCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 610134000 GPJILNVHWDSYJB-UHFFFAOYSA-N 392.459 -0.124 5 10 GBBE O=C(NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1COCCN1CC(F)F 851329850 RLNHAHGLIWRTJR-MRVPVSSYSA-N 380.329 -0.239 5 10 GBBE O=C1N[C@H](C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CO1 859906897 PMVGWTPSGKGOJV-ZDUSSCGKSA-N 378.341 -0.105 5 10 GBBE Nc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] 10056939 OATWTINELUHTAO-UHFFFAOYSA-N 377.401 -0.206 5 10 GBBE COC(=O)[C@@H](F)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 838075582 YNQIMARERPFKSN-NSHDSACASA-N 377.350 -0.157 5 10 GBBE N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C(=O)N1CCN(c3ccc([N+](=O)[O-])nc3)CC1)C2 852930940 ZPRITVZQBMBAIO-BPLDGKMQSA-N 388.428 -0.023 5 10 GBBE O=C(CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1)N1CCOCC1 271284215 OOOOKTAWKQGONF-UHFFFAOYSA-N 378.385 -0.083 5 10 GBBE CN(CC(=O)N1CCOCC1)C(=O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O 579831686 GGDOJGFUIHOTIY-UHFFFAOYSA-N 395.397 -0.317 5 10 GBBE CN1C(=O)[C@@H]2CN(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)C[C@@H]2C1=O 1535331182 LEBNEIGXDPWNBB-BETUJISGSA-N 384.352 -0.079 5 10 GBBE C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 1545547596 PQWAPHMCSIVZKX-AAEUAGOBSA-N 386.430 -0.292 5 10 GBBE O=C1NC(=O)[C@H]2CN(C(=O)CN3C(=O)C(F)(F)c4cc([N+](=O)[O-])ccc43)C[C@@H]12 834323840 MVENPQIAVIRBBN-DTORHVGOSA-N 394.290 -0.236 5 10 GBBE O=C(CN1CCS(=O)(=O)C[C@@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 1560160175 PRDPVIRQZXHQJD-AWEZNQCLSA-N 383.426 -0.035 5 10 GBBE O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(N2CCOCC2)CC1 1597445402 PBTXQBXSSMQFJD-UHFFFAOYSA-N 398.441 -0.146 5 10 GBBE CN(C)C[C@]1(O)CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 1650698152 FEFSPYHSLPPQTL-QGZVFWFLSA-N 378.385 -0.155 5 10 GBBE NCC(CO)(CO)NC(=O)c1cc([N+](=O)[O-])ccc1I 2280473262 WPDAEZUCXANLMN-UHFFFAOYSA-N 395.153 -0.389 5 10 GBBE CN1CCN(NC(=S)NCCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 586406071 TWDIFFIYIRUCBP-UHFFFAOYSA-N 380.474 -0.120 5 10 GBBE CN1C2(CCC2)COC[C@]1(CO)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 599387354 KMFIBMMROBRVBH-OAHLLOKOSA-N 386.430 -0.116 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 599506262 FANNJFCSNFPIRX-LBPRGKRZSA-N 393.443 -0.325 5 10 GBBE CN(C)S(=O)(=O)CCNC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1873715548 VPRACTLIEVDLMK-UHFFFAOYSA-N 398.397 -0.412 5 10 GBBE O=C(NCC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 530359259 UHYXPUHHRUESRV-UHFFFAOYSA-N 396.425 -0.046 5 10 GBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1623524150 GRLUQQAQTLRYOM-UHFFFAOYSA-N 391.384 -0.680 5 10 GBBE CN1C[C@H](COCCN2CCN(c3ncccc3[N+](=O)[O-])CC2)OCC1=O 1853026213 PRACQQMRXWRRHO-CQSZACIVSA-N 379.417 -0.014 5 10 GBBE CC(=O)NCCNC(=O)[C@H](CC(N)=O)NC(=O)c1cccc([N+](=O)[O-])c1C 1861011624 YUBHNWVKHPIDHQ-LBPRGKRZSA-N 379.373 -0.871 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 467402448 SBTLNVGRNIIJCN-SECBINFHSA-N 390.443 -0.020 5 10 GBBE COC(=O)c1ccc(N2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)nn1 540130559 PDWOHDPUGWGOKW-UHFFFAOYSA-N 375.345 -0.133 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC(N[C@@H]2CCOC2)C1 1652690981 QEJKWXZCBZUAQO-LLVKDONJSA-N 384.414 -0.538 5 10 GBBE COCCNCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 263267810 VVGQAJBJCQRHHR-UHFFFAOYSA-N 386.430 -0.336 5 10 GBBE COCCNC(=O)CN1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 283409438 ASSDXNZWCNOMTQ-UHFFFAOYSA-N 395.416 -0.031 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H](N2CCCS2(=O)=O)C1 1156392339 IOYMFENRABVFPY-LBPRGKRZSA-N 384.414 -0.217 5 10 GBBE CN(C)C(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1161739375 QURATOMGAXMVNF-LLVKDONJSA-N 384.414 -0.190 5 10 GBBE O=C(NCCN1CCOCC1)[C@H]1C[C@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1 1861034836 SYXMMGCTIWSRJN-JKSUJKDBSA-N 392.412 -0.381 5 10 GBBE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 2358558897 ZDDAKDCXMYUSEH-BREBYQMCSA-N 385.377 -0.751 5 10 GBBE COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 1326878904 RHCFJCGPVGBKHU-GFCCVEGCSA-N 391.384 -0.340 5 10 GBBE O=C1OCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1675680898 VTKXLVCCDXBTGZ-ZDUSSCGKSA-N 398.397 -0.074 5 10 GBBE CN(C)CCN=c1nc(N(C)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520935 QMJZNMLEPOITRM-UHFFFAOYSA-N 376.421 -0.231 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 599185516 QRUVDNVYIPTGHD-JTQLQIEISA-N 393.443 -0.247 5 10 GBBE O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1331033544 ROMAIWXOVJPHFW-HNNXBMFYSA-N 399.429 -0.385 5 10 GBBE O=C(Cc1ccccc1[N+](=O)[O-])NCCNC(=S)N1CCN(CCO)CC1 585844400 JVGIEYONNNBJMR-UHFFFAOYSA-N 395.485 -0.262 5 10 GBBE C[C@H](O)[C@@H](NC(=S)NCCNC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 585859661 VANYHVKUHGFCAZ-TVQRCGJNSA-N 384.414 -0.448 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CC(C3CS(=O)(=O)C3)C2)cc1[N+](=O)[O-] 1468271343 GJQGJVBYSLGIDN-UHFFFAOYSA-N 397.409 -0.164 5 10 GBBE O=C(Cn1cnc2c(nnn2Cc2ccc([N+](=O)[O-])cc2)c1=O)NCCCO 1870102016 VVXNLCYDBYMTNC-UHFFFAOYSA-N 387.356 -0.557 5 10 GBBE Nc1c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] 267224140 XCJQVARYNWPXHR-UHFFFAOYSA-N 377.401 -0.206 5 10 GBBE O=C(N[C@H]1CCCCNC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 561256732 FCEYGXKKKJTBGY-ZDUSSCGKSA-N 376.417 -0.103 5 10 GBBE CN(C)C(=O)/C=C/C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1163085053 KAEXEROXPCLOGM-CMDGGOBGSA-N 384.414 -0.024 5 10 GBBE O=C1CO[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]2N1 1275037303 NWDUEQHTCHCYCG-GRYCIOLGSA-N 392.368 -0.092 5 10 GBBE CN1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1=O 1333485911 LYRSWOMQRKUFKV-UHFFFAOYSA-N 389.412 -0.066 5 10 GBBE O=C(/C=C/c1ccc([N+](=O)[O-])s1)NCCNC(=S)N[C@H](CO)C(=O)O 585858461 RYECTJLHGPRUPL-FAIQTLDISA-N 388.427 -0.305 5 10 GBBE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)CC1 365221853 OJKSYXHRJFREBQ-XJKCOSOUSA-N 390.444 -0.386 5 10 GBBE CN1C(=O)[C@@H]2CN(C(=O)c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H]2C1=O 1544625130 CJMIEPPCLUTQSR-PHIMTYICSA-N 381.366 -0.315 5 10 GBBE NC(=O)CC[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1866024004 MBVQSBKJDUKDGO-QMMMGPOBSA-N 378.297 -0.974 5 10 GBBE O=C(NCC(O)(CO)CO)c1cc([N+](=O)[O-])ccc1I 1913801195 BBMFVBLYHUYAPT-UHFFFAOYSA-N 396.137 -0.355 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[S@@](=O)C1 474956265 UZGJODRCVOQNDG-DJNLSKAYSA-N 375.428 -0.100 5 10 GBBE O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCOCC1 508340379 REIBNINFCGSUBP-AWEZNQCLSA-N 380.401 -0.476 5 10 GBBE CN1CCOC[C@@H]1CNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 599194562 QYKVGYFBBYLDMR-ZDUSSCGKSA-N 386.430 -0.002 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 599233566 DNYXBJAERAKLKI-UHFFFAOYSA-N 386.434 -0.743 5 10 GBBE CNC(=O)[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 784706812 GKFDELNTVFOKBS-QMMMGPOBSA-N 382.192 -0.258 5 10 GBBE COC(=O)CCN1CCC[C@H](OC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 1346725640 JUDAEYXPZHARGE-LBPRGKRZSA-N 381.341 -0.146 5 10 GBBE CN(C)CCC[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 1350830725 DRHYTXVDGWCPBB-CQSZACIVSA-N 382.421 -0.523 5 10 GBBE CCCc1[nH]nc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 264543623 OIWJXNCYBCHEQK-UHFFFAOYSA-N 394.432 -0.113 5 10 GBBE C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC(=O)N1C 297590645 AZTIBYUHBWZELU-GFCCVEGCSA-N 390.400 -0.673 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CCN(CCO)C[C@@H]2C)cc1[N+](=O)[O-] 457094121 OSUDYRHAIZKLEY-LBPRGKRZSA-N 380.401 -0.142 5 10 GBBE Cc1noc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 595292007 OBKZNVWKOLRKJC-UHFFFAOYSA-N 375.407 -0.414 5 10 GBBE O=C(C(=O)N1CC[C@@H](O)C(F)(F)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1350182515 SAFIJRBUTSKTSU-GFCCVEGCSA-N 399.354 -0.133 5 10 GBBE Nc1ncc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1[N+](=O)[O-] 1539865640 MOEKNXMSWIJQFN-UHFFFAOYSA-N 378.389 -0.811 5 10 GBBE O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CN([C@@H]2CCOC2)C1 1625577400 XJQLEUIRJSPRAU-CQSZACIVSA-N 398.441 -0.290 5 10 GBBE O=C(Cc1ccccc1[N+](=O)[O-])C(=O)NCCCN1CCN(CCO)CC1 1866062502 ULXMTFVKPNMVCT-UHFFFAOYSA-N 378.429 -0.177 5 10 GBBE NC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 1861030703 ZKONDURXLSKRJC-CQSZACIVSA-N 393.400 -0.983 5 10 GBBE O=C(O)CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CS(=O)(=O)C[C@@H]1O 1866359631 GLNQQBXTFXRPBD-MNOVXSKESA-N 392.773 -0.067 5 10 GBBE C[C@@H]1CN(c2nc(N3CCN(CCO)CC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 1871314619 BJNICKUMQBBRTR-VXGBXAGGSA-N 381.437 -0.305 5 10 GBBE CN=c1[nH]c(=NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]cc1[N+](=O)[O-] 2233974929 NDFGRUIVUAZINT-MIMYLULJSA-N 384.393 -0.977 5 10 GBBE CC(=O)N[C@H]1C(=O)N=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC1=O 104610817 XETGHKXVLNHNND-UHFFFAOYSA-N 379.354 -0.216 5 10 GBBE O=C(CN1CCOCC1)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 533981005 FIXKMMWRLQFLFT-UHFFFAOYSA-N 375.389 -0.382 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOC[C@@]12CCOC2 1155539071 QSLUVOWMZPXDAK-HNNXBMFYSA-N 385.398 -0.109 5 10 GBBE CN1C[C@@H](NC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC1=O 1326610425 GPPKDVIKSPKSBV-NSHDSACASA-N 376.369 -0.079 5 10 GBBE O=C(CN1CCOCC1)N1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 1587829583 LRQQOXVGPFHRSZ-UHFFFAOYSA-N 386.796 -0.412 5 10 GBBE Cc1c(N=c2[nH]c(N(C)CCO)nc(=NCCCO)[nH]2)cccc1[N+](=O)[O-] 1871644951 DSIGTBXTJKYFAY-UHFFFAOYSA-N 377.405 -0.102 5 10 GBBE O=C(O)C1CCN(c2ncnc(N3CCN(CCO)CC3)c2[N+](=O)[O-])CC1 40613544 QSSQRDPAGKEXPP-UHFFFAOYSA-N 380.405 -0.200 5 10 GBBE CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(=O)N1CCNCC1 415335442 PQTFOQWXBLGQHW-UHFFFAOYSA-N 393.400 -0.178 5 10 GBBE O=[N+]([O-])c1ccc(-c2noc(CN3CCN4[C@@H](CNS4(=O)=O)C3)n2)cc1 1473821261 MTQDWPZDKRLVDF-LBPRGKRZSA-N 380.386 -0.021 5 10 GBBE Cc1c(C(=O)N[C@@H](CCC(N)=O)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] 1861011014 QONCNXLAGIHENH-ZDUSSCGKSA-N 379.417 -0.055 5 10 GBBE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 600231884 MLCRZMFUJYVZIU-KRWDZBQOSA-N 380.401 -0.512 5 10 GBBE NC(=O)C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCNC=O 1861125018 GZQMCAZEHLFZPG-GBXSZLQWSA-N 391.384 -0.780 5 10 GBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@@H](C)O)cc1[N+](=O)[O-] 1861809973 RYEWCRDQCMHASP-UGQGEIBHSA-N 396.356 -0.116 5 10 GBBE COC(=O)[C@@H](CF)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 288489166 YPLKGEJBMFRHLC-LLVKDONJSA-N 377.350 -0.157 5 10 GBBE O=C1NCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 596641736 BDCUQBADEFEEKW-ZDUSSCGKSA-N 382.398 -0.436 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 599185210 NCTNSUKCYMJPBI-MRVPVSSYSA-N 399.472 -0.186 5 10 GBBE CN(CC(=O)NC[C@@H](O)[C@@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 600237031 DUTRTSYTMIRYOD-KGLIPLIRSA-N 387.414 -0.129 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)OCCN(C)S(=O)(=O)N2CCOCC2)n1 755779702 MEKWSKSVFKYRLI-UHFFFAOYSA-N 391.406 -0.523 5 10 GBBE CS(=O)(=O)N1CCN(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 774516820 KLWCPFNSVOYJBC-UHFFFAOYSA-N 399.429 -0.085 5 10 GBBE C[C@H](O)CN=c1nc(N2CC(O)C2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576155 IIIPXSLOKZPKNA-QMMMGPOBSA-N 395.807 -0.006 5 10 GBBE NC(=O)[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ncnc(N)c2[N+](=O)[O-])C1 2173806070 MXMHNLYKLZZXCY-NTSWFWBYSA-N 377.283 -0.674 5 10 GBBE COC(=O)[C@@]1(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)CCOC1 1331669877 GSDRWNQFZKRWDD-QGZVFWFLSA-N 394.384 -0.767 5 10 GBBE COC(=O)c1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 590570735 XRKNBAUSQGFISV-UHFFFAOYSA-N 393.400 -0.243 5 10 GBBE Cc1cc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc([N+](=O)[O-])c1F 859395293 PAZXOVCKLJHIKO-UHFFFAOYSA-N 396.422 -0.189 5 10 GBBE O=C(C(=O)N1C[C@H]2COC[C@@H](C1)O2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1324997734 FKBICVBEGIZTJY-IYBDPMFKSA-N 390.396 -0.130 5 10 GBBE CN(C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H]1C[C@@H](C(N)=O)C1 1328952919 JZXUYTQNZVSRGV-JNSHFYNHSA-N 389.412 -0.034 5 10 GBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@]12COCCN1C(=O)COC2 1532280577 GTXWIGPEXTWANH-QGZVFWFLSA-N 389.368 -0.312 5 10 GBBE CN(C)CCN=c1[nH]c(=NCCN(C)C)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871739484 WAZBAQCWPDEFPP-UHFFFAOYSA-N 389.464 -0.264 5 10 GBBE CS(=O)(=O)CCN1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1293022356 KPPLDYAZVOPLAS-UHFFFAOYSA-N 386.430 -0.618 5 10 GBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1329365977 ZWCHENNFZIBLCH-LLVKDONJSA-N 390.443 -0.517 5 10 GBBE O=C(N[C@H](CO)C(=O)O)c1ccc(OCC(=O)N2CCCC2)c([N+](=O)[O-])c1 1865776180 HBFIHECMRXSVQZ-LLVKDONJSA-N 381.341 -0.229 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 599211253 MLGAYXNUMXWEBW-LLVKDONJSA-N 387.418 -0.412 5 10 GBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C[C@@H]12 1118532583 WDAVAGTZXIZNBO-MJBXVCDLSA-N 395.393 -0.108 5 10 GBBE CCO[C@@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CN 1326548945 OXZMWNAJXKEVLB-IUODEOHRSA-N 380.401 -0.088 5 10 GBBE O=C(NCC(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1)c1c(Cl)cccc1[N+](=O)[O-] 1628054559 JPAKCYUKUJVRGT-OCAPTIKFSA-N 380.744 -0.291 5 10 GBBE CN(C)C(=O)/C=C\C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142426296 HQYUKIVJYHOKHH-HJWRWDBZSA-N 384.414 -0.024 5 10 GBBE COc1cc(C(=O)NCCNC(=S)NCCNC(C)=O)ccc1[N+](=O)[O-] 586404340 DDEWKAWWSLQJTN-UHFFFAOYSA-N 383.430 -0.067 5 10 GBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@H]1CN1CCOCC1 1343181168 FCZMKQRYQJLNOB-ZDUSSCGKSA-N 380.405 -0.769 5 10 GBBE CCN(C(=O)Cn1nc([N+](=O)[O-])nc1Br)[C@H]1CCS(=O)(=O)C1 1473077019 YIWKKAKBYIOIFQ-ZETCQYMHSA-N 396.223 -0.016 5 10 GBBE C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@+]3(C)CC[C@@H](OC1=O)[C@@]23O 299817446 CRWHRMSWJOLABX-ZOMGVMBKSA-N 382.433 -0.370 5 10 GBBE in-vitro COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 441206051 RRDBZXNRRKLDHQ-POQQGIQPSA-N 382.373 -0.423 5 10 GBBE COC(=O)[C@](C)(NC(=O)CN1C(=O)CN(C)C1=O)c1cccc([N+](=O)[O-])c1 600529162 PFSBCQDCQGLJSY-MRXNPFEDSA-N 378.341 -0.007 5 10 GBBE CCN(OC)C(=O)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1332296388 JGODEAFWZOXHCR-UHFFFAOYSA-N 394.388 -0.836 5 10 GBBE CS(=O)(=O)N1CC(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 1628733184 QOPVZGURQJKXCO-UHFFFAOYSA-N 396.425 -0.229 5 10 GBBE Cn1[nH]c([N+](=O)[O-])nc1=NC[C@H]1COCC2(CN(C(=O)OC(C)(C)C)C2)O1 2279297254 UURVMSAUADHAAU-JTQLQIEISA-N 384.393 -0.038 5 10 GBBE Cn1cc(I)c(=O)n(CCn2cc([N+](=O)[O-])cn2)c1=O 158542741 OHRLIMZUJIGDEB-UHFFFAOYSA-N 391.125 -0.044 5 10 GBBE NS(=O)(=O)CC[C@@H]1NC(=O)N(CCCOc2ccc([N+](=O)[O-])cc2)C1=O 408518571 OGVVOWAAMORSHQ-LBPRGKRZSA-N 386.386 -0.037 5 10 GBBE C[C@@H]1CN(CCO)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 457138937 WMFQTNAYWWQHDF-GFCCVEGCSA-N 378.385 -0.155 5 10 GBBE O=C(/C=C/c1ccc([N+](=O)[O-])s1)NCCNC(=S)N[C@@H](CO)C(=O)O 585858458 RYECTJLHGPRUPL-ARLXTTGXSA-N 388.427 -0.305 5 10 GBBE COC[C@](C)(CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 613534648 PORFDWDFCWIBCT-AWEZNQCLSA-N 375.403 -0.271 5 10 GBBE O=C(Cn1ncc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 863374446 QAXYVEGJWRJZDP-UHFFFAOYSA-N 398.376 -0.142 5 10 GBBE O=C1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C2(CN1)COC2 1133365862 ICDCEXJNWWRBSM-UHFFFAOYSA-N 388.336 -0.411 5 10 GBBE CC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 31877197 PEOIOETXZUEBRH-UHFFFAOYSA-N 384.414 -0.094 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)s1 748089005 KNJJLVCVKOYYEU-UHFFFAOYSA-N 385.445 -0.403 5 10 GBBE COc1ccc(CNC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-] 1117116279 FLUFBCWGZRZHFO-CYBMUJFWSA-N 378.385 -0.237 5 10 GBBE CN(C)C[C@]1(O)CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1644123298 AGHHVQLIHZAIKS-OAHLLOKOSA-N 386.430 -0.602 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCCNC=O)c1 1861345256 URUPMGOTMZIGKD-NHYWBVRUSA-N 394.384 -0.569 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCN3CCNCC3)CC2)cc1 592475923 VXBUZDCRNPQEBK-UHFFFAOYSA-N 383.474 -0.194 5 10 GBBE CCc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCCO)[nH]2)cc1[N+](=O)[O-] 1871621989 WCQDLTCYEBDWGJ-UHFFFAOYSA-N 389.416 -0.095 5 10 GBBE 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NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(C(=O)CN2CCOCC2)CC1 298303909 MPHBONSOKUYNCL-UHFFFAOYSA-N 378.389 -0.931 5 10 GBBE C[C@H]1CN(CCO)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 457099639 VRLUZBKUNSMHJB-NSHDSACASA-N 376.369 -0.284 5 10 GBBE COC(=O)[C@]1(N2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCOC1 1118886545 FBBGFNBBFQDURX-ZBFHGGJFSA-N 383.405 -0.898 5 10 GBBE CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 1328952556 IGPQZIQIUIWYAC-CYBMUJFWSA-N 378.385 -0.302 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 22357832 PONFNZMYJAGAIE-ZDUSSCGKSA-N 378.385 -0.146 5 10 GBBE O=C(CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N[C@H](CO)C(=O)O 526917154 VPOFUIILDDYLIG-LLVKDONJSA-N 384.301 -0.425 5 10 GBBE O=C(NCC(=O)N1CCN2C[C@H](O)C[C@H]2C1)NCc1ccc([N+](=O)[O-])cc1 594394300 WRHLTJWINIMKNZ-LSDHHAIUSA-N 377.401 -0.329 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1440640624 QXVRYXQUKMFXDP-GFCCVEGCSA-N 384.414 -0.912 5 10 GBBE COC1(OC)CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@H]1O 1643449183 BRDXHLMAYKVALR-CQSZACIVSA-N 395.368 -0.098 5 10 GBBE CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 571929049 IVTWEGLYOQQLAX-UHFFFAOYSA-N 393.447 -0.507 5 10 GBBE CC(C)n1cnc(NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 593636068 JJKIEYNOBPOIHV-UHFFFAOYSA-N 388.388 0.450 5 10 GBBE CO[C@@](C)(CO)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 594395807 IKCGGBQIUHDTBN-CQSZACIVSA-N 375.403 -0.271 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 599666419 NWYJVUZZXORYAU-CQSZACIVSA-N 398.441 -0.266 5 10 GBBE Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 786738849 ODMNYRTZJSEWPU-UHFFFAOYSA-N 399.429 -0.488 5 10 GBBE CN1CCC(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)(N2CCOCC2)CC1 1142215318 SCJBZLZVXODMSF-UHFFFAOYSA-N 393.444 -0.331 5 10 GBBE O=C(C(=O)N1CC(F)(F)C[C@H]1CO)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1325144952 KSVJLEJDOKHBBT-LBPRGKRZSA-N 399.354 -0.133 5 10 GBBE O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cn1 1650815587 MCOPVUJOFYIQHC-LBPRGKRZSA-N 390.443 -0.371 5 10 GBBE CN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCS(=O)(=O)C1 22903694 QAGNSHRJNNBGTD-SNVBAGLBSA-N 381.366 -0.164 5 10 GBBE O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCN1CCC(O)CC1 1627744845 WLTHOALBEDVQIU-UHFFFAOYSA-N 379.417 -0.033 5 10 GBBE O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 1349712657 XCGICDOHWCVIFQ-DVUJSEMFSA-N 377.382 -0.181 5 10 GBBE CN1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 1557712403 YQTANQCYPAZKKQ-CYBMUJFWSA-N 386.430 -0.650 5 10 GBBE O=C(C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1328786238 KEFXBAUHWQFODW-GUEPYNSDSA-N 381.414 -0.313 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 859396162 LCYSDPPZLVTRSG-VIFPVBQESA-N 397.406 -0.327 5 10 GBBE COCCO[C@H]1C[C@H](CO)CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1331341427 XNWXEMONQSUOBH-QWRGUYRKSA-N 378.407 -0.637 5 10 GBBE O=[N+]([O-])c1ccccc1-c1nnc(CN2CCN3[C@H](CNS3(=O)=O)C2)o1 1660301251 VKTBXJDGCVNTAO-SNVBAGLBSA-N 380.386 -0.021 5 10 GBBE N=c1[nH]c(N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)ncc1[N+](=O)[O-] 2173845682 LPIQUQYFYANCSW-NTSWFWBYSA-N 377.283 -0.844 5 10 GBBE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)CCn1cnc([N+](=O)[O-])c1 2286185293 VXNXQYQUXBOZEU-UHFFFAOYSA-N 387.393 -0.454 5 10 GBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1CNS(C)(=O)=O 599506271 FJDGOQFOMQOFNV-GFCCVEGCSA-N 393.443 -0.158 5 10 GBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 1331341071 WEMLHLVLFSJIPF-STQMWFEESA-N 386.478 -0.025 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1 1442659686 JIZOOQMNXJWVTI-QWHCGFSZSA-N 398.441 -0.148 5 10 GBBE CN1CC[C@](C)(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 1464577875 IGNGSDJRMWROOB-OAHLLOKOSA-N 384.414 -0.142 5 10 GBBE CNC(=O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1544900005 CERTVJGQGKBEHF-UHFFFAOYSA-N 384.414 -0.498 5 10 GBBE Cn1[nH]c(N2CCN(CCO)CC2)nc1=NC(=O)c1ccc([N+](=O)[O-])cc1 1870013128 XQLBGQZIUHEHMG-UHFFFAOYSA-N 375.389 -0.488 5 10 GBBE CN(C)S(=O)(=O)N1CCC[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 518172269 PJSAFTIZDLDVFK-YPMHNXCESA-N 376.439 -0.987 5 10 GBBE CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCS(=O)(=O)C[C@@H]1CCO 1472881851 BAAPVFAJQDJRIF-NSHDSACASA-N 378.428 -0.016 5 10 GBBE Cn1c(=O)c([N+](=O)[O-])c(N2CCN3[C@@H](CNS3(=O)=O)C2)c2ccccc21 1559287390 PBXJKKUDHYJLCL-JTQLQIEISA-N 379.398 -0.215 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)n1 1623784225 YNHGASNVKKBMAQ-UHFFFAOYSA-N 377.401 -0.085 5 10 GBBE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(CC[N+](=O)[O-])C2)CC1 1652832094 AEYRPKVTSHPUBX-UHFFFAOYSA-N 378.451 -0.170 5 10 GBBE Cc1cc(S(=O)(=O)NCCNS(=O)(=O)N(C)C)c(C)cc1[N+](=O)[O-] 416485573 FTFIIMCZAYWKOZ-UHFFFAOYSA-N 380.448 -0.114 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOC[C@]12CCOC2 1155539072 QSLUVOWMZPXDAK-OAHLLOKOSA-N 385.398 -0.109 5 10 GBBE Cn1cnnc1N1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1326860355 ATSAAJYPMDCSQS-UHFFFAOYSA-N 385.384 -0.086 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@H](O)CN2CCOCC2)cc1 566791977 HRNLOZRYDWCCQT-AWEZNQCLSA-N 388.446 -0.844 5 10 GBBE Cn1cc(I)c(CNC(=O)Cn2cnc([N+](=O)[O-])n2)n1 1543617748 NNONAMUSNJUDHW-UHFFFAOYSA-N 391.129 -0.159 5 10 GBBE CN(C)CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1629417045 DTPBZOFJZQNMGP-GFCCVEGCSA-N 386.430 -0.666 5 10 GBBE NC(=O)[C@H](O)CNC(=O)c1ccc(I)c([N+](=O)[O-])c1 2278612403 GOQFSUSWZYJOAK-MRVPVSSYSA-N 379.110 -0.225 5 10 GBBE CNC(=O)[C@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1325808519 IBBDPFRIOQXKAI-NSHDSACASA-N 376.369 -0.221 5 10 GBBE COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1[N+](=O)[O-] 416440305 CSJHCFKDSZMHOL-CQSZACIVSA-N 375.403 -0.028 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 863554691 FTZFOOONFQVPNA-JTQLQIEISA-N 391.377 -0.111 5 10 GBBE CNc1nc[nH]c(=NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 2234038354 ZFYSXWLTWABKSF-YWVKMMECSA-N 384.393 -0.399 5 10 GBBE O=C(O)C[C@@H](NC(=S)NCCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 585859561 XPUIQCVDZHBFAU-SNVBAGLBSA-N 384.370 -0.283 5 10 GBBE Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)n1 1116432750 JBAZNMNRKBVXOB-UHFFFAOYSA-N 386.368 -0.170 5 10 GBBE COCCO[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1331341426 XNWXEMONQSUOBH-MNOVXSKESA-N 378.407 -0.637 5 10 GBBE Cn1[nH]c(=NC[C@@H]2COCC3(CN(C(=O)OC(C)(C)C)C3)O2)nc1[N+](=O)[O-] 2371083116 VLICRRLAUJLYGF-SNVBAGLBSA-N 384.393 -0.038 5 10 GBBE O=C(CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1)N1CCOCC1 269267560 DWSQSFREGFQQJS-UHFFFAOYSA-N 378.385 -0.083 5 10 GBBE NC(=O)c1ccc(CN2CCN(C(=O)N3CCNCC3)CC2)c([N+](=O)[O-])c1 600714358 QJPJTYMDPXJGNU-UHFFFAOYSA-N 376.417 -0.164 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O 858827526 GBCZVKFWSXQDJO-NSHDSACASA-N 393.443 -0.247 5 10 GBBE Cc1c(C(=O)N2CCN(CCN(C)C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 266877332 ZIKMZHKKUWHBOV-UHFFFAOYSA-N 399.473 -0.130 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 599666417 NWYJVUZZXORYAU-AWEZNQCLSA-N 398.441 -0.266 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 371021307 YEGOWQOLLUOIPZ-ZDUSSCGKSA-N 377.401 -0.039 5 10 GBBE NC(=O)C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCCNC=O 1861123613 JZKNGEVLXIMLRY-VBROQKIQSA-N 391.384 -0.780 5 10 GBBE C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1C 506506562 WSXHQHJPYXHHPH-LLVKDONJSA-N 384.414 -0.048 5 10 GBBE C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1 599963044 WQGUOIXYFRCWLZ-STQMWFEESA-N 376.417 -0.105 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1153327905 ZVVMTWFJDLMEAY-HNNXBMFYSA-N 393.444 -0.331 5 10 GBBE C[C@@H]1CO[C@@H](CO)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 492527665 MIEDNVFOSJXVAD-DGCLKSJQSA-N 387.414 -0.129 5 10 GBBE CN(C)C(=O)CCN1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 596160137 LSWMBFWTFPBRJI-UHFFFAOYSA-N 385.446 -0.158 5 10 GBBE C[C@@H](CO)N(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1117929534 CNIGKXYDYUSLBN-LBPRGKRZSA-N 378.385 -0.282 5 10 GBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1327080633 QREJFOISCWGDFX-LBPRGKRZSA-N 377.400 -0.432 5 10 GBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1627285929 OWMLQRKDFGMLPK-KGLIPLIRSA-N 390.352 -0.070 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(NC(=O)N2CCOCC2)CC1 1638598260 UPXAOVHTECNZDS-UHFFFAOYSA-N 393.400 -0.211 5 10 GBBE O=C(O)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CS(=O)(=O)C[C@@H]1O 1866328245 IFEJIIXYISUMAN-QWRGUYRKSA-N 392.773 -0.067 5 10 GBBE CN(C)CCN1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1=O 592996441 YVBQTVVTCBMPHT-HNNXBMFYSA-N 389.412 -0.068 5 10 GBBE CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 1326824403 QZZIZSHRNAFLSR-JKSUJKDBSA-N 376.413 -0.127 5 10 GBBE COC(=O)C[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026538 YJFSGKVOIWJKMO-SNVBAGLBSA-N 379.281 -0.677 5 10 GBBE CN(C)CCNC(=O)C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1465492391 WKPNIKYKGGVBJM-UHFFFAOYSA-N 379.417 -0.327 5 10 GBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1CCNC1=O 1469108975 JENMOKIRCHECNO-NSHDSACASA-N 384.414 -0.142 5 10 GBBE O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595275754 HQEQERIXKBCXAL-SJKOYZFVSA-N 377.353 -0.187 5 10 GBBE CN(C)S(=O)(=O)N1CC(N2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 600698536 CEOUAFCVJRBDLG-OAHLLOKOSA-N 397.413 -0.148 5 10 GBBE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 913305617 XEDMBQGOHMXLQO-AWEZNQCLSA-N 383.405 -0.193 5 10 GBBE O=C1CO[C@@H]2CCN(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)C[C@H]2N1 1528080415 FATTZBHYCFVHRX-ZIAGYGMSSA-N 386.368 -0.036 5 10 GBBE Cc1c(C(=O)N2CCN(C)CCN(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 1178974893 ZPQWAMPWDTYHGU-UHFFFAOYSA-N 399.473 -0.130 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3COC[C@@H]3O)cc2[N+](=O)[O-])CC1 1635130205 JYYSMJDKRXNVDG-CJNGLKHVSA-N 378.385 -0.247 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C2CC2)C(=O)C1 1566200923 RBFFYHGZWAZZCK-UHFFFAOYSA-N 382.398 -0.294 5 10 GBBE COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593526860 YSDVMRWLAYDIFT-LLVKDONJSA-N 379.416 -0.186 5 10 GBBE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 600230697 BTZGRHWBJQWIAV-KRWDZBQOSA-N 380.401 -0.512 5 10 GBBE CN1CCOC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 600422346 VDIJRNRYXARMAO-CYBMUJFWSA-N 386.430 -0.290 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 859396161 LCYSDPPZLVTRSG-SECBINFHSA-N 397.406 -0.327 5 10 GBBE CN(C)S(=O)(=O)N1CC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 599182675 OYCYVXRDSCFJRW-UHFFFAOYSA-N 384.461 -0.038 5 10 GBBE Cn1[nH]c(Br)c2c(=NCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ncnc1-2 839657174 AQMPJPPIPCRJST-RNFRBKRXSA-N 384.194 -0.307 5 10 GBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1544477545 YVTAUCRNVOCPRB-LBPRGKRZSA-N 377.401 -0.160 5 10 GBBE CN(C)C(=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 268372639 GVMAIBVHOHALAO-UHFFFAOYSA-N 385.446 -0.158 5 10 GBBE O=C(CN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1)N1CCOCC1 535428479 PKPQOTZAHHDWOC-UHFFFAOYSA-N 375.389 -0.382 5 10 GBBE COC(=O)CNC(=O)c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 594604555 YBKIIVNXUIVADA-QWHCGFSZSA-N 378.385 -0.247 5 10 GBBE COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599246860 NJPNIZYEMZGRDQ-SNVBAGLBSA-N 375.407 -0.414 5 10 GBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCCN1CCCS1(=O)=O 608783872 NXJIOFVAXNVLNR-UHFFFAOYSA-N 384.414 -0.134 5 10 GBBE N[C@@H]1[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 725374536 OWZHSDGAXBDMBO-DDFAGTSDSA-N 375.428 -0.413 5 10 GBBE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 1473858441 MYJJKUQVXNZDFC-CQSZACIVSA-N 376.369 -0.201 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC(=O)NC1 1630900862 OBDZOFMQTLATQF-NSHDSACASA-N 384.414 -0.142 5 10 GBBE O=C1C(NCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCO 1863593961 VMVUJOKGAOALHZ-UHFFFAOYSA-N 390.396 -0.411 5 10 GBBE O=C1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCN1 54369660 TWZDAJOEZGYOBP-UHFFFAOYSA-N 384.414 -0.058 5 10 GBBE CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)O[C@H](CO)[C@@H](O)[C@H]1O 110339247 UBBCYDPSFMEFFL-XGFWRYKXSA-N 376.749 -0.429 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCO[C@]2(CCOC2)C1 1138561753 AYNUMMGZFMSBOT-OAHLLOKOSA-N 385.398 -0.109 5 10 GBBE O=C(N[C@@H]1[C@H]2COC[C@H]21)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1323710951 IFHNGCXYVMVNAL-FICVDOATSA-N 388.380 -0.360 5 10 GBBE O=C1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C2(CN1)COC2 1439045823 GPLBOEUKRWVHAF-SNVBAGLBSA-N 392.343 -0.186 5 10 GBBE O=C(O)CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CS(=O)(=O)C[C@H]1O 1866351975 UPMNUNWVSRMMRM-GHMZBOCLSA-N 392.773 -0.067 5 10 GBBE O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1)N1CCNCC1 595103999 ALIRQZHNSDPUFA-GFCCVEGCSA-N 383.430 -0.178 5 10 GBBE NC(=O)C[C@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 863326597 PJONALQPCQWYGN-ZDUSSCGKSA-N 377.357 -0.103 5 10 GBBE N=c1[nH]c(N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)ncc1[N+](=O)[O-] 2173845683 LPIQUQYFYANCSW-PHDIDXHHSA-N 377.283 -0.844 5 10 GBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@H](C)O)cc1[N+](=O)[O-] 1861809974 RYEWCRDQCMHASP-UPLXVJCVSA-N 396.356 -0.116 5 10 GBBE COc1ccc(CSCC(=O)N2CCN(CC(N)=O)C(=O)C2)cc1[N+](=O)[O-] 458043241 HBYALFJSIATMIA-UHFFFAOYSA-N 396.425 -0.007 5 10 GBBE O=C1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CN1 514573225 FNRZMSIPQVZAPB-GFCCVEGCSA-N 396.425 -0.046 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)n1 599231186 WGBSPHVPBOROCJ-NSHDSACASA-N 387.418 -0.270 5 10 GBBE COC(=O)[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@@H](C)O1 600377443 XXVTWZDOIORCEE-SKDRFNHKSA-N 391.336 -0.020 5 10 GBBE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1253411032 BVFRBINNYYDNKN-ZDUSSCGKSA-N 379.417 -0.185 5 10 GBBE CC(=O)NCCNC(=O)[C@@H](CC(N)=O)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861129450 GEHOYDTUBFOFCS-KTRBRXNASA-N 391.384 -0.780 5 10 GBBE C[C@H](O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330632784 QAYKPIIBHUHHDI-FZMZJTMJSA-N 378.385 -0.145 5 10 GBBE CN1CCC[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 294774472 RJCIUGSBOSFDCI-CYBMUJFWSA-N 384.414 -0.142 5 10 GBBE COC(=O)[C@@](C)(O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 497768655 MYOPPPJNRAIOAC-HNNXBMFYSA-N 387.414 -0.175 5 10 GBBE COc1cc(C(=O)NCCNC(=S)N[C@@H](CO)C(=O)O)ccc1[N+](=O)[O-] 585856821 DBVMSRORDIUIPV-VIFPVBQESA-N 386.386 -0.757 5 10 GBBE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)CC1 1297663314 OJKSYXHRJFREBQ-WOSRLPQWSA-N 390.444 -0.386 5 10 GBBE CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)NCC(=O)OC 1867356376 PLGANVMBYRJDGS-CYBMUJFWSA-N 394.384 -0.101 5 10 GBBE CN1C[C@@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)CC1=O 116587834 XYUOJXRKQYBHDR-LBPRGKRZSA-N 382.398 -0.342 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 859396106 JKCMKPUZEKCJHM-MRVPVSSYSA-N 385.445 -0.405 5 10 GBBE COc1ccc(NC(=O)CN2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1308097290 NELIQHCTBYUYJX-SNVBAGLBSA-N 385.402 -0.624 5 10 GBBE COCCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1OC 1641114401 KHBJIJYZGWSUGA-PHIMTYICSA-N 393.352 -0.027 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 544720897 VUWADJLYSDYNRW-CYBMUJFWSA-N 384.414 -0.249 5 10 GBBE CCN1CCN([C@H](C)CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 1292988547 ZAXRTDFVKRTXHQ-GFCCVEGCSA-N 399.473 -0.002 5 10 GBBE C[C@H]1CN2CCN1C[C@H]2C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142206262 SHILNVWWJXIJIQ-WFASDCNBSA-N 397.457 -0.622 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC(=O)N1C 1469383796 NDRMDMBMHDDVLJ-LBPRGKRZSA-N 384.414 -0.048 5 10 GBBE Cc1c(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCCNC=O)cccc1[N+](=O)[O-] 1861012583 JXWLZWPMURSRQP-DOMZBBRYSA-N 378.385 -0.269 5 10 GBBE CCN(CCO)c1nc(=NCCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871645797 SOAAOAIMFNJYBQ-UHFFFAOYSA-N 377.405 -0.102 5 10 GBBE COc1cc(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] 845969093 LVRJRHKJXZITPQ-UHFFFAOYSA-N 386.430 -0.002 5 10 GBBE O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)N1C[C@H]2COC[C@@H](C1)O2 1346567094 ARTYTIRAAQALRG-PHIMTYICSA-N 375.341 -0.287 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCNC(=O)C1 1638904667 LTBKWNPUJKTOEI-NSHDSACASA-N 384.414 -0.142 5 10 GBBE O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@]12COCCN1C(=O)COC2 1684632871 IBWSXNUVWLTJNI-KRWDZBQOSA-N 393.400 -0.066 5 10 GBBE O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)cc3oc-2c1 109564889 QULZFZMEBOATFS-DUQPFJRNSA-N 375.333 -0.529 5 10 GBBE O=C(N[C@@H]1[C@H]2COC[C@H]21)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1322980742 IQIHZNYQQFUNAN-IWIIMEHWSA-N 394.409 -0.298 5 10 GBBE C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC1=O)[C@]23O 1615813473 CRWHRMSWJOLABX-MOAHTKRZSA-N 382.433 -0.370 5 10 GBBE biogenic CS(=O)(=O)C[C@@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 1645953730 JODVTKUJHWJOOE-NSHDSACASA-N 387.414 -0.433 5 10 GBBE O=C(N[C@@H](CO)C(=O)O)c1ccc(OCC(=O)N2CCCC2)c([N+](=O)[O-])c1 1865776182 HBFIHECMRXSVQZ-NSHDSACASA-N 381.341 -0.229 5 10 GBBE CNC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867794930 AMCSKGPYHCDRQY-KOLCDFICSA-N 381.389 -0.998 5 10 GBBE O=C(CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1)N1CCCC1 593525318 ACOJOFFMZCELPA-UHFFFAOYSA-N 383.430 -0.082 5 10 GBBE COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CC[C@]2(CNC(=O)C2)C1 1261170953 YKLRDTDDXMKBPS-KRWDZBQOSA-N 376.369 -0.042 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CC(N3CCN(C)CC3)C2)cc1[N+](=O)[O-] 1467631388 MUWAVTHBIJEKFB-UHFFFAOYSA-N 391.428 -0.209 5 10 GBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 1618381251 ORDBBQHLZPIPGT-ZDUSSCGKSA-N 392.368 -0.443 5 10 GBBE COCCN(C)CCN1C[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O 1629140929 KDOOBLCWVTWENM-RHSMWYFYSA-N 394.428 -0.077 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1C 1861012264 DQSFYKYQXLBJGX-IUODEOHRSA-N 378.385 -0.269 5 10 GBBE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 2233980675 ZDDAKDCXMYUSEH-GBIKHYSHSA-N 385.377 -0.751 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@H]3CNC[C@H]3O)cc2[N+](=O)[O-])CC1 262152202 HULLTRFLHTZYPZ-RHSMWYFYSA-N 391.428 -0.427 5 10 GBBE O=C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCN1 280614765 SFMTWZBCAMRGTQ-UHFFFAOYSA-N 384.414 -0.058 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3C[C@H](O)[C@H](O)C3)cc2[N+](=O)[O-])CC1 1471950980 ARPUPNOEZAFAFB-FFGGFLGDSA-N 392.412 -0.123 5 10 GBBE O=C(N[C@H](CS(=O)(=O)N1CC([N+](=O)[O-])C1)C(=O)O)OCc1ccccc1 2244228166 ALNNRSVAUOUREM-GFCCVEGCSA-N 387.370 -0.343 5 10 GBBE COc1ccc(S(=O)(=O)NCCC/N=[N+](\[O-])C(CO)(CO)[N+](=O)[O-])cc1 59738140 SCSNXYBZRSTQDE-PEZBUJJGSA-N 392.390 -0.716 5 10 GBBE CN(CC(=O)N1CCN2CCOC[C@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 371862450 CFGUKTUXWSDWBI-CQSZACIVSA-N 398.441 -0.242 5 10 GBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1C(=O)CN(C)C1=O 595546926 PVQDOXKWJZVDLD-UHFFFAOYSA-N 399.429 -0.301 5 10 GBBE CN(C)S(=O)(=O)C[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F 806123446 OSBONIYOSHUMLD-LURJTMIESA-N 375.285 -0.448 5 10 GBBE COC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 917563366 PKPVPUGHLYKLEY-UHFFFAOYSA-N 386.386 -0.216 5 10 GBBE CN1CCN(CCCCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 1290772296 YCSCRDZZQNKUHM-UHFFFAOYSA-N 399.473 0.000 5 10 GBBE CC(=O)N[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1436913365 RUNUFPRABMYQKL-LBPRGKRZSA-N 384.414 -0.048 5 10 GBBE CN1CCN(c2ccc(C(=O)N[C@@H]3CCC(=O)NC3=O)cc2[N+](=O)[O-])CC1 1866055941 QZPPMYAIIJGSPZ-GFCCVEGCSA-N 375.385 -0.118 5 10 GBBE O=C(C(=O)N1CC[C@@]2(O)C[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1350181693 KLQUZRXSLOBWAN-YVEFUNNKSA-N 375.385 -0.378 5 10 GBBE COC[C@H](OC)C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1557176555 FNLZEGDTNRMIEY-LBPRGKRZSA-N 375.403 -0.007 5 10 GBBE O=CNCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCO)C1=O 1863593293 SZXXLGXWDXGKID-UHFFFAOYSA-N 376.369 -0.217 5 10 GBBE NC(=O)CN1CCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1=O 848488942 ODGGZGFFDBCXBS-AWEZNQCLSA-N 375.385 -0.502 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1150302997 HIVMHTLSKJMRNL-AWEZNQCLSA-N 398.441 -0.522 5 10 GBBE NC(=O)C1(N)CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C1 2296074960 OWJNHZXTJJIZHG-UHFFFAOYSA-N 390.137 -0.162 5 10 GBBE CN(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1858023282 SVTNFYGMTPEHJM-LBPRGKRZSA-N 377.444 -0.008 5 10 GBBE NCCCC[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026413 SWMHBDUGKDQRGG-GFCCVEGCSA-N 378.341 -0.111 5 10 GBBE COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc([N+](=O)[O-])c1 13987816 DOQUKZCKXHFNKC-NSHDSACASA-N 380.382 -0.027 5 10 GBBE CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(CCO)CC2)cc1[N+](=O)[O-] 1859271775 IQKXGWFMFYZCNJ-UHFFFAOYSA-N 386.430 -0.355 5 10 GBBE CN1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 467937991 LQRVHCQZRBCEAS-OAHLLOKOSA-N 398.441 -0.242 5 10 GBBE NC1[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1CS(=O)(=O)C2 1615977017 CPIBVYWABTXMCP-UWVGGRQHSA-N 375.428 -0.413 5 10 GBBE CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 1647905951 XAJAJZHJZLRQGW-CYBMUJFWSA-N 386.430 -0.602 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@H]1CCS(=O)(=O)C1 1891099923 BNJMQRQAPXCSQK-SECBINFHSA-N 381.366 -0.258 5 10 GBBE CN1CCN(S(=O)(=O)c2ccc(NC[C@](C)(O)CO)c([N+](=O)[O-])c2)CC1 480856515 ZUXNPHQKNYEXBK-HNNXBMFYSA-N 388.446 -0.314 5 10 GBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNC(=O)C(F)(F)F 169832020 SKMQAUKIQBOBED-UHFFFAOYSA-N 388.258 -0.015 5 10 GBBE O=c1ccc(-n2cncn2)nn1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 238959624 YHWSKUSWTUCTHR-UHFFFAOYSA-N 391.369 -0.289 5 10 GBBE CNC(=O)CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 475394151 AGFNATMDCBIYEF-UHFFFAOYSA-N 384.414 -0.217 5 10 GBBE O=C(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)NCCN1CCOCC1 486297791 WTQMLPTUYMFFIO-UHFFFAOYSA-N 386.355 -0.020 5 10 GBBE O=C(O)CC[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1866023660 GBWIJTCTSFHBFY-MRVPVSSYSA-N 379.281 -0.375 5 10 GBBE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)CCn1cnc([N+](=O)[O-])c1 2280482064 ANDMPFIBJWKGSZ-UHFFFAOYSA-N 387.393 -0.454 5 10 GBBE NC(=O)CC[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCO 2330632821 XDOMLLHTWSFBAU-CQSZACIVSA-N 378.385 -0.143 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CCNC3=O)cc2[N+](=O)[O-])CC1 597857835 UFQUVOXJVWOCAC-ZDUSSCGKSA-N 375.385 -0.118 5 10 GBBE O=CNCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861133294 FWSAXHJLPCMPIH-IXWNZZHASA-N 390.396 -0.178 5 10 GBBE COc1cc(C(=O)NCCNC(=O)N2CCN(CCO)CC2)ccc1[N+](=O)[O-] 585855885 DPHHTSARQKDWRH-UHFFFAOYSA-N 395.416 -0.347 5 10 GBBE O=C(/C=C\CN1CCOCC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1136391498 ZBABHWOZCIPQNC-UPHRSURJSA-N 398.441 -0.122 5 10 GBBE CN(C)S(=O)(=O)N1CC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 1687210822 PYLJLCLDJVJQIK-UHFFFAOYSA-N 386.434 -0.204 5 10 GBBE O=CNCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1cccc([N+](=O)[O-])c1 2330624161 ZMFYZRQOIBWKPK-HZPDHXFCSA-N 390.396 -0.178 5 10 GBBE O=c1ccc2nc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3oc-2c1 96347672 QULZFZMEBOATFS-SFFUCWETSA-N 375.333 -0.529 5 10 GBBE CN(C)CCN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 264042987 QPAUCNLOHMACFN-UHFFFAOYSA-N 389.412 -0.103 5 10 GBBE CS(=O)(=O)N[C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 522642015 PQBBNOOZMGLPDG-JTQLQIEISA-N 398.397 -0.530 5 10 GBBE CN1CCN(C)CC(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1611283598 XKNNLJXKQOOWMJ-UHFFFAOYSA-N 384.458 -0.022 5 10 GBBE CC(=O)NCCNC(=O)[C@H](CC(N)=O)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861129451 GEHOYDTUBFOFCS-YBJDMEARSA-N 391.384 -0.780 5 10 GBBE CCOC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1866020789 NWNPWWMFMVADQH-LBPRGKRZSA-N 394.384 -0.032 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 599508106 UPGRAZPRALCCLK-QMMMGPOBSA-N 385.445 -0.405 5 10 GBBE O=C(C(=O)N1CC(F)(F)C[C@H]1CO)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1117911967 ITEUTWNBWMDANP-NSHDSACASA-N 399.354 -0.133 5 10 GBBE C[C@@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCN1S(C)(=O)=O 1330521148 QYYKOMFDUQZUMK-GFCCVEGCSA-N 398.441 -0.254 5 10 GBBE O=C(CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1)N1CCOCC1 269079953 ICNVGXWMWPHXRV-UHFFFAOYSA-N 378.385 -0.083 5 10 GBBE CC(=O)NCCNC(=S)NCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 586404643 ZAQYZDLORYBOKP-UHFFFAOYSA-N 398.401 -0.167 5 10 GBBE CON(C)C(=O)[C@H](CCSC)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859069345 KCAXYAYZGZSISL-QMMMGPOBSA-N 381.436 -0.252 5 10 GBBE CN1CCO[C@@H](C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1163077003 ANKJTMWQCLLNOI-CYBMUJFWSA-N 386.430 -0.338 5 10 GBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1628348426 MXOWQKXKZBDFMU-BFHYXJOUSA-N 375.447 -0.610 5 10 GBBE Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8662475 ITNBUUOPUOISEF-UHFFFAOYSA-N 395.397 -0.209 5 10 GBBE C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CN1 599963183 YVXAPHAWLVHQCM-OLZOCXBDSA-N 376.417 -0.105 5 10 GBBE O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCN2CCOC[C@]2(CO)C1 1304049733 NDHRELIFKHUVPT-QGZVFWFLSA-N 379.369 -0.115 5 10 GBBE O=c1ccc2nc3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]4O)cc3oc-2c1 77312853 QULZFZMEBOATFS-KFGODFMUSA-N 375.333 -0.529 5 10 GBBE in-vitro NC(=O)CN1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1=O 458037500 BOHOGZPOKSWCOO-UHFFFAOYSA-N 375.385 -0.035 5 10 GBBE C[C@@H](O)CNC(=O)CCc1nnc(=NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1O 1860880297 UKGSEDZJGLMVBM-SECBINFHSA-N 390.356 -0.411 5 10 GBBE CN1CCN(c2nc(=NCCCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871521469 XWTVZJMQVOZUJK-UHFFFAOYSA-N 388.432 -0.087 5 10 GBBE O=C(C(=O)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1)N1CCOCC1 280679971 CKGGVTTYYVEVLZ-UHFFFAOYSA-N 392.368 -0.556 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 593621839 LSLDRLXPZGKMJR-UHFFFAOYSA-N 386.430 -0.002 5 10 GBBE COc1ccc(NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] 593677138 RRFDACBTEODLBT-UHFFFAOYSA-N 393.400 -0.226 5 10 GBBE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1329712631 IORKCJSJBFDGQP-UONOGXRCSA-N 393.400 -0.753 5 10 GBBE CN1CCN(c2ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)cc2[N+](=O)[O-])CC1 1866055709 DJJJVULPFSNKCJ-LBPRGKRZSA-N 393.400 -0.205 5 10 GBBE CC(C)NC(=O)[C@@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])c(=O)n(C)c2)CC1 1890201762 SLKRNWLPJPRXDL-GFCCVEGCSA-N 379.417 -0.036 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)NCC23COCCN2CCOC3)c([N+](=O)[O-])c1 1648021740 CXKFZUJUFCIZMJ-UHFFFAOYSA-N 399.425 -0.171 5 10 GBBE CN1CN(C(=O)c2cc(C(=O)N3CC(=O)N(C)C3)cc([N+](=O)[O-])c2)CC1=O 461489131 WNKUWKIGCRXWIX-UHFFFAOYSA-N 375.341 -0.662 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 599668243 UIUFAWNQUCPRQI-CQSZACIVSA-N 398.441 -0.266 5 10 GBBE NC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 854113301 GHDGNAYAZAVZHM-CABCVRRESA-N 377.401 -0.836 5 10 GBBE CS(=O)(=O)N1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 18271352 ZZYFQSHHLRKOPW-UHFFFAOYSA-N 396.381 -0.705 5 10 GBBE O=C1OCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1479201766 BPRQOZBTTHKYTB-NSHDSACASA-N 398.397 -0.074 5 10 GBBE O=C(CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1)NC1CCCCC1 487289955 IBFRMYUAEBVLSD-UHFFFAOYSA-N 379.421 -0.221 5 10 GBBE CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H]2C(=O)NC(=O)[C@H]2C1 596262581 HJGIMECRRNRCNO-PHIMTYICSA-N 382.398 -0.008 5 10 GBBE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 1136561762 WSKNDWOPKCCGCD-ILXRZTDVSA-N 399.425 -0.758 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 1124530343 HSWKTUABZMZLMT-UHFFFAOYSA-N 391.427 -0.284 5 10 GBBE CN(C)S(=O)(=O)NC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 1261278025 UEMQSMKDDVJYQW-UHFFFAOYSA-N 378.313 -0.044 5 10 GBBE C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCNC1=O 1440434587 KDKTUJSOIDQODD-INIZCTEOSA-N 396.425 -0.046 5 10 GBBE CNS(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 550823513 VLKLMTIKQBZLER-UHFFFAOYSA-N 378.432 -0.494 5 10 GBBE CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1nnc2n1CCNC2=O 1560136699 AFOZIEUMRLSCGA-UHFFFAOYSA-N 385.384 -0.049 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@@](C)(O)CO)cc2[N+](=O)[O-])CC1 558874326 MQEKEEKDMNWCPI-QGZVFWFLSA-N 380.401 -0.264 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(N2CCS(=O)(=O)CC2)CC1 1295707778 WBMUMMPSJPFVDK-UHFFFAOYSA-N 398.441 -0.522 5 10 GBBE CN(C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1348137259 ZBCLIKGSSCMZCC-UHFFFAOYSA-N 381.436 -0.627 5 10 GBBE NC(=O)[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2nc(F)ncc2[N+](=O)[O-])C1 2162865838 RJOMYQHYAUAFKA-PHDIDXHHSA-N 380.258 -0.117 5 10 GBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2233979312 UHJXSCFUHCQGGY-FOGDFJRCSA-N 385.377 -0.601 5 10 GBBE CN(CC(=O)N[C@H](CO)[C@@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1137912835 BLOIFOQHTLDFAS-BXUZGUMPSA-N 387.414 -0.271 5 10 GBBE Cn1cc([C@H]2C[S@@](=O)CCN2S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cn1 1261794081 DIPXLECPWJAUOW-JNDILOIQSA-N 388.431 -0.444 5 10 GBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1C[C@@H](O)[C@@H](CO)C1 1307138428 GCSVJPBMYZSTLV-IAQYHMDHSA-N 387.414 -0.595 5 10 GBBE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 1596925084 QBGNUCZAIVKTAB-UHFFFAOYSA-N 394.388 -0.261 5 10 GBBE CNC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867820628 FQLZTJNKBUQMOW-KCJUWKMLSA-N 397.344 -0.847 5 10 GBBE NC(=O)CN(CC(N)=O)c1ccc([N+](=O)[O-])c(I)c1 236217888 COGNXFADCFJPQP-UHFFFAOYSA-N 378.126 -0.024 5 10 GBBE O=C(C(=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)N1CCOCC1 503703027 WKUOMHOEUKDDRC-UHFFFAOYSA-N 392.368 -0.556 5 10 GBBE O=C(C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1328786241 KEFXBAUHWQFODW-GAEICERVSA-N 381.414 -0.313 5 10 GBBE O=C(CCN1CCN2[C@@H](CNS2(=O)=O)C1)Nc1cc([N+](=O)[O-])ccc1F 1648411954 FYHVISHGWPDKPI-NSHDSACASA-N 387.393 -0.103 5 10 GBBE COC(=O)C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1866023823 JBEDELHSDAYBJE-QMMMGPOBSA-N 379.281 -0.677 5 10 GBBE CN1CCN(c2ccc(C(=O)N[C@H]3CCC(=O)NC3=O)cc2[N+](=O)[O-])CC1 1866055942 QZPPMYAIIJGSPZ-LBPRGKRZSA-N 375.385 -0.118 5 10 GBBE Cn1cc([N+](=O)[O-])c(=O)n(CC(=O)CCN2C(=O)c3ccccc3C2=O)c1=O 2218975824 VZIFPGWPYMQPRV-UHFFFAOYSA-N 386.320 -0.289 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 364999516 ODMIBRGMKNDUFL-UHFFFAOYSA-N 389.372 -0.599 5 10 GBBE O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC12COCCN1CCOC2 1648022267 SJENDBJMDZJNTF-UHFFFAOYSA-N 392.412 -0.068 5 10 GBBE CNc1nc[nH]c(=NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 2234038352 ZFYSXWLTWABKSF-KKZNHRDASA-N 384.393 -0.399 5 10 GBBE O=C(NCC(=O)N1CCOCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 538518357 WZXYVRJBWCEGHL-NSHDSACASA-N 380.357 -0.233 5 10 GBBE COc1ccc(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])c1 593621384 KGEHUNGLWKUDOC-UHFFFAOYSA-N 386.430 -0.002 5 10 GBBE O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 1332595290 XHOUHYLINKDXBP-UHFFFAOYSA-N 385.402 -0.252 5 10 GBBE O=C1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C2(CN1)COC2 1583395708 RDFOTYMMVOPNOO-UHFFFAOYSA-N 390.352 -0.562 5 10 GBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 1618381697 WFNYGFSVNVYCOH-GFCCVEGCSA-N 381.341 -0.176 5 10 GBBE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1CCO 451070234 XGXXITACKFMLSL-LBPRGKRZSA-N 386.430 -0.602 5 10 GBBE COc1ccc(C(=O)NCCNC(=S)NCCOCCO)cc1[N+](=O)[O-] 586406117 ZFWYKEZFSBLUIB-UHFFFAOYSA-N 386.430 -0.194 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 609542752 QCCSMOXQQHBASH-LLVKDONJSA-N 388.377 -0.251 5 10 GBBE O=C1C[C@@]2(CCN(C(=O)C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)C2)CN1 1328565784 HDKNAFCEFZPCHD-SFHVURJKSA-N 388.380 -0.077 5 10 GBBE O=C(C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1328787022 NUTMZVXDRJDPGT-UYZZBQRDSA-N 392.437 -0.025 5 10 GBBE COC(=O)[C@@]1(N2CCN(C(=O)c3cnc(O)c([N+](=O)[O-])c3)CC2)CCOC1 1331790926 NFWKESGLOGTNGL-MRXNPFEDSA-N 380.357 -0.215 5 10 GBBE COc1ccc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] 265290823 KGBKHLBCLCIQMN-SECBINFHSA-N 379.416 -0.084 5 10 GBBE CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 549610451 MLXSJQANKQROLO-UHFFFAOYSA-N 376.373 -0.237 5 10 GBBE O=C(CN1CCOC1=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1135348823 ZCHOILKVXKOIPQ-UHFFFAOYSA-N 398.397 -0.120 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[S@@](=O)C1 474956266 UZGJODRCVOQNDG-SDWAUSNYSA-N 375.428 -0.100 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[S@](=O)C1 474956267 UZGJODRCVOQNDG-VCGICTTQSA-N 375.428 -0.100 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 609542465 BAAAWQAAYJAZHX-QMMMGPOBSA-N 376.416 -0.328 5 10 GBBE C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 840976725 FCHIXSCWGANNLW-CZUORRHYSA-N 392.412 -0.148 5 10 GBBE COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)Cn2ccc(=O)n(C)c2=O)c1 845095769 JBVOLBUNFXZRRH-UHFFFAOYSA-N 377.309 -0.015 5 10 GBBE C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CN1 599963185 YVXAPHAWLVHQCM-STQMWFEESA-N 376.417 -0.105 5 10 GBBE C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CN(C)CCN1C 1293745232 PAHZUHQQLYXSCA-FZMZJTMJSA-N 389.412 -0.059 5 10 GBBE CCOc1ccc(NC(=O)CN2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1560169481 NLSJTTUMVOJJCT-NSHDSACASA-N 399.429 -0.234 5 10 GBBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN2[C@H](CNS2(=O)=O)C1 1654881676 JCVXSTBSYKVZHQ-CMPLNLGQSA-N 399.429 -0.235 5 10 GBBE Cc1c(C(=O)N2CCN3CCOC[C@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 543612226 RRWUUWPDBDEAPI-LLVKDONJSA-N 384.414 -0.293 5 10 GBBE O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CCCN1CC2 597625836 RAUHJDCJIQHBOH-MRXNPFEDSA-N 390.444 -0.100 5 10 GBBE Cn1nncc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)C1 1314935277 JLZPRRVUJQVHFW-UHFFFAOYSA-N 383.372 -0.034 5 10 GBBE C[C@@H](O)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 1556996327 YAGDJBQFCHJSDC-RISCZKNCSA-N 387.414 -0.177 5 10 GBBE O=CNCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1ccccc1[N+](=O)[O-] 2330663860 FWSAXHJLPCMPIH-GDBMZVCRSA-N 390.396 -0.178 5 10 GBBE CN(C)C(=O)CCN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 273434089 BICJXQBRGRNKCX-UHFFFAOYSA-N 385.446 -0.158 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](N2CCOCC2)C(F)(F)F)n1 599315657 KUSWXDBUYBPJIN-VIFPVBQESA-N 387.340 -0.130 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 599505829 AQPLDNFEPPFRST-SNVBAGLBSA-N 379.416 -0.467 5 10 GBBE O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 774967352 FPMVAJHMVQKLHU-SSDOTTSWSA-N 379.251 -0.148 5 10 GBBE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)CC1 1293081696 ZICBDJOISFZBAY-CYBMUJFWSA-N 396.448 -0.215 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCNC(=O)C1 1638904666 LTBKWNPUJKTOEI-LLVKDONJSA-N 384.414 -0.142 5 10 GBBE CN(C)CCN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 593784301 MHTPPLXHKNIMJL-UHFFFAOYSA-N 377.401 -0.443 5 10 GBBE O=C(C(=O)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1)N1CCCC1 594755474 MOIODKWHYUEHFC-UHFFFAOYSA-N 397.413 -0.555 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 599507075 NKAGLOVKMYCFEY-NSHDSACASA-N 379.416 -0.467 5 10 GBBE C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCNC1=O 1440438792 RRBJMGSHXNNVDC-MRXNPFEDSA-N 396.425 -0.046 5 10 GBBE COc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])c1 599501701 UWLSXEZXVZRYIT-UHFFFAOYSA-N 394.431 -0.628 5 10 GBBE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)c1nn(C)cc1[N+](=O)[O-] 600014472 DSRUXYVFJOFIEN-SCZZXKLOSA-N 385.402 -0.089 5 10 GBBE CCN1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 619802996 UUJSBYMEAGJYJC-ZDUSSCGKSA-N 384.414 -0.048 5 10 GBBE O=C(C(=O)N1CC[C@](O)(C(F)F)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1324843150 NNFCREPECFMHBB-MRXNPFEDSA-N 399.354 -0.133 5 10 GBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@@H]12 1327702319 JNYSETWXKMBUEX-UHTWSYAYSA-N 395.393 -0.108 5 10 GBBE CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599209683 BLYFIPYDEHFWGI-NSHDSACASA-N 388.450 -0.451 5 10 GBBE COC(=O)[C@]1(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)CCOC1 1331669874 GSDRWNQFZKRWDD-KRWDZBQOSA-N 394.384 -0.767 5 10 GBBE O=C1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CO1 1687392806 YZTSKONHRHENOA-NSHDSACASA-N 398.397 -0.074 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 443784706 SWFQCRQAUHPXKO-CYBMUJFWSA-N 384.414 -0.249 5 10 GBBE COC[C@@H]1C[C@@H](O)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 593810029 ATURYNWSHLNZLO-QWHCGFSZSA-N 387.414 -0.177 5 10 GBBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(N[C@H]2CCOC2)C1 1597699524 DUUFECYGWCZCBS-LBPRGKRZSA-N 398.441 -0.148 5 10 GBBE NC(=O)[C@]1(O)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 285019871 MNEQBMOUDXXZQV-KRWDZBQOSA-N 377.401 -0.835 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=O)NCCN2CCOCC2)c1 586429192 HKJWWAWAEKPOPT-UHFFFAOYSA-N 395.416 -0.035 5 10 GBBE O=C(CN1CCC(CO)(CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 852630589 VWXSWFIWTZECRX-UHFFFAOYSA-N 378.429 -0.080 5 10 GBBE NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 1329829898 JLCHBOCERCDJAI-CQSZACIVSA-N 376.369 -0.418 5 10 GBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCCO)cc1[N+](=O)[O-] 1861808919 IBCRRDKJYDWBTE-SMDDNHRTSA-N 396.356 -0.115 5 10 GBBE Cn1cc(C(=O)N2CCN(c3cc(=O)n(C)c(O)n3)CC2)cc([N+](=O)[O-])c1=O 1889989586 HNFSGAKTMPEEHS-UHFFFAOYSA-N 390.356 -0.945 5 10 GBBE NC(=O)CNC(=S)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 727065967 HSZPGRNQSCSDIO-UHFFFAOYSA-N 387.443 -0.739 5 10 GBBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1CCO 769044601 WOLIIVSDIWBHRZ-ZDUSSCGKSA-N 387.414 -0.127 5 10 GBBE Cn1nccc1[C@H](O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1456188178 YFCXMDMXEZTPHG-CYBMUJFWSA-N 375.341 -0.097 5 10 GBBE O=C(O)[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860755166 SYMWUKBMFMSMSS-GFCCVEGCSA-N 377.357 -0.286 5 10 GBBE CN(CC1(CO)CC1)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 563137019 PLMHIVJENLEKTM-UHFFFAOYSA-N 377.401 -0.131 5 10 GBBE CN1C2(CCC2)COC[C@@]1(CO)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 599387353 KMFIBMMROBRVBH-HNNXBMFYSA-N 386.430 -0.116 5 10 GBBE NC(=O)C[C@H](NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1859457137 ANXNNLPLRJKBFZ-QMMMGPOBSA-N 378.297 -0.974 5 10 GBBE CC(C)(C)OC(=O)NCc1cn(CCN=c2[nH]cc([N+](=O)[O-])c(=N)[nH]2)nn1 2287189373 MCFACLNSXKTHON-UHFFFAOYSA-N 379.381 -0.052 5 10 GBBE C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O 598219748 JZTYGHOUIVBRGG-LLVKDONJSA-N 384.414 -0.183 5 10 GBBE O=C(C(=O)N1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1)N1CCOCC1 1463812887 VMDWPBNJOXZQGH-UHFFFAOYSA-N 394.359 -0.123 5 10 GBBE CN1CCN(C(=O)CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 1521993594 OSGQXUWVTUADRR-GFCCVEGCSA-N 393.400 -0.317 5 10 GBBE O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CN([C@H]2CCOC2)C1 1625577399 XJQLEUIRJSPRAU-AWEZNQCLSA-N 398.441 -0.290 5 10 GBBE CCN1CCN(CCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 1627184739 FDZVJNOFCXRXTB-UHFFFAOYSA-N 385.446 -0.391 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CC(O)(c3ccnn3C)C2)cc1[N+](=O)[O-] 1643410922 CKDUBISLNKDNQU-UHFFFAOYSA-N 389.368 -0.203 5 10 GBBE COC(=O)C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1866023822 JBEDELHSDAYBJE-MRVPVSSYSA-N 379.281 -0.677 5 10 GBBE COC(=O)C1CCN(c2ncnc(N3CCN(CCO)CC3)c2[N+](=O)[O-])CC1 40613527 DGUQAMBQEAWARK-UHFFFAOYSA-N 394.432 -0.112 5 10 GBBE CN(C)CCN1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1=O 1326711980 UBSJOOMYLZTTRX-UHFFFAOYSA-N 391.428 -0.514 5 10 GBBE C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 1639045919 AQYNDMHNSWFBCX-GFCCVEGCSA-N 399.473 -0.002 5 10 GBBE CN(C)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C(=O)CN1CCNCC1 1873788844 ONIRVIFJYBWEOX-UHFFFAOYSA-N 377.445 -0.041 5 10 GBBE CO[C@@]1(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCS(=O)(=O)C1 1527656906 ZKOUDSORPYHRDF-HNNXBMFYSA-N 384.414 -0.158 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)n1 599293210 SIHBXGGAMGHHTE-JTQLQIEISA-N 393.447 -0.483 5 10 GBBE C[C@H]1CN(C)C(=O)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 783759680 VPSNDHUEMOIZSH-NSHDSACASA-N 384.414 -0.048 5 10 GBBE CN(C)CCNS(=O)(=O)c1ccc(N2CCNC(=O)CC2)c([N+](=O)[O-])c1 1115984946 FHRLZKWTQBVTIE-UHFFFAOYSA-N 385.446 -0.239 5 10 GBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@@H]12 1327923478 MZEMTHXSCRXNJB-MJBXVCDLSA-N 397.409 -0.519 5 10 GBBE O=C(NCCN1CCOCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860754754 BBCMCCIFMGXHNS-UHFFFAOYSA-N 392.416 -0.913 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCCNC=O)c1 1861345257 URUPMGOTMZIGKD-XHDPSFHLSA-N 394.384 -0.569 5 10 GBBE COC(=O)[C@](C)(O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 497750582 PHKLHXDGZMOBSN-OAHLLOKOSA-N 387.414 -0.175 5 10 GBBE COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594754181 IHSBPJIKXCYKEB-UHFFFAOYSA-N 388.402 -0.514 5 10 GBBE COC(=O)[C@]1(F)CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1149481381 BDZHNHNSJUIULR-AWEZNQCLSA-N 389.361 -0.013 5 10 GBBE O=C(NC[C@@]12COCCN1C(=O)COC2)c1cc2c(cc1[N+](=O)[O-])OCO2 1535538485 SZACCIHZRTTXFB-INIZCTEOSA-N 379.325 -0.319 5 10 GBBE O=C(CN1CCN2[C@H](CNS2(=O)=O)C1)N1CCc2ccc([N+](=O)[O-])cc21 1620608687 VTJYCVGJHFTJOR-CYBMUJFWSA-N 381.414 -0.682 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCN1CCCOCC1 1625582384 ZGJXDLPGPZOIQQ-UHFFFAOYSA-N 386.430 -0.288 5 10 GBBE O=C(CN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1)N1CCOCC1 272713182 LDGLVXLOTKMXNT-UHFFFAOYSA-N 378.389 -0.002 5 10 GBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 598317788 YLFANNDQLYDPJW-MJBXVCDLSA-N 397.409 -0.405 5 10 GBBE Cc1sc(S(=O)(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] 599506351 GVUWEJYVRBUDBL-VIFPVBQESA-N 399.472 -0.097 5 10 GBBE CNC(=O)NC[C@@H]1CN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCO1 863285310 HLBRHCYOCPIZKU-LLVKDONJSA-N 377.357 -0.222 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1153327908 ZVVMTWFJDLMEAY-OAHLLOKOSA-N 393.444 -0.331 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC(C2CS(=O)(=O)C2)C1 1468271570 JIBORPLUHSXCGF-UHFFFAOYSA-N 393.377 -0.306 5 10 GBBE NC(=O)CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCCO 1861125426 XDOMLLHTWSFBAU-GPAKFWEMSA-N 378.385 -0.143 5 10 GBBE COC(=O)CNC(=O)CCNC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1867871348 NUWRRHWXFMRIDU-LLVKDONJSA-N 394.384 -0.183 5 10 GBBE O=C(NCC(=O)N1CCN2CCOC[C@]2(CO)C1)Nc1cccc([N+](=O)[O-])c1 1156867033 POQYRRGYTJRHPD-QGZVFWFLSA-N 393.400 -0.378 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 599211254 MLGAYXNUMXWEBW-NSHDSACASA-N 387.418 -0.412 5 10 GBBE COc1ccc(NC(=O)[C@H](C)N2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1648413298 WQMWUWGYSIDILF-QWRGUYRKSA-N 399.429 -0.235 5 10 GBBE O=C(Cn1cncn1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 44565901 UNOKAPDFMIOUSG-UHFFFAOYSA-N 380.386 -0.281 5 10 GBBE Cc1sc(S(=O)(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] 599506349 GVUWEJYVRBUDBL-SECBINFHSA-N 399.472 -0.097 5 10 GBBE COCCN(C)CCN1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1=O 1625688534 BQQDDXXQEWITDF-CYBMUJFWSA-N 396.448 -0.178 5 10 GBBE CN1CC[C@@H](N2CCC(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)C1=O 1635006913 UAQAVDRPXMBZFK-CYBMUJFWSA-N 377.401 -0.432 5 10 GBBE CCNC(=O)C1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 443603976 MZPUQMAEFZSWML-UHFFFAOYSA-N 384.414 -0.142 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](N2CCNCC2)C(F)(F)F)n1 599106589 IRUYGURFTQTSOK-SECBINFHSA-N 386.356 -0.557 5 10 GBBE O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2CCOC[C@@H]2C1 1117309446 YGDQBLJADAAWFR-AWEZNQCLSA-N 378.385 -0.367 5 10 GBBE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1631730145 PKQUEZZEHTXGAS-PWSUYJOCSA-N 379.325 -0.545 5 10 GBBE Cc1c(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCCNC=O)cccc1[N+](=O)[O-] 1861012585 JXWLZWPMURSRQP-SWLSCSKDSA-N 378.385 -0.269 5 10 GBBE O=C(O)CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CS(=O)(=O)C[C@H]1O 1866369652 LSQSHPNWFSUIBS-VHSXEESVSA-N 392.773 -0.067 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCS(=O)(=O)CC1 574837357 YDFFXFDRDFIYOG-UHFFFAOYSA-N 393.443 -0.388 5 10 GBBE O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595275098 GLAVYCFYANARKG-SJKOYZFVSA-N 377.353 -0.187 5 10 GBBE Cn1nncc1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 596643256 VGPDDLQARDDYPH-UHFFFAOYSA-N 394.413 -0.201 5 10 GBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CN(S(=O)(=O)N(C)C)C1 599501864 ZEAGRBBNHGPBRL-UHFFFAOYSA-N 378.432 -0.328 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 609518203 ZGUWKZLWJLOXAN-GFCCVEGCSA-N 380.405 -0.349 5 10 GBBE CNC(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 817761174 JBHQNQKFSNVOTD-ZDUSSCGKSA-N 389.412 -0.162 5 10 GBBE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 2233980678 ZDDAKDCXMYUSEH-OUJBWJOFSA-N 385.377 -0.751 5 10 GBBE Cc1cc(C(=O)N=c2nc(N3CCN(CCO)CC3)[nH]n2C)ccc1[N+](=O)[O-] 1870013614 KXGPOGDRKFXUQW-UHFFFAOYSA-N 389.416 -0.180 5 10 GBBE Cn1c(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc(=O)n(C)c1=O 1873774445 XBPQYVGPBKROIG-UHFFFAOYSA-N 387.308 -0.773 5 10 GBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)n1 2233979604 VHNFPSRLHJLYJN-HLUHBDAQSA-N 385.377 -0.601 5 10 GBBE CN1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1=O 265636790 GUWBUZQBKDVJFX-NSHDSACASA-N 384.414 -0.048 5 10 GBBE Cn1nncc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 596641657 INOKFTYFJOKIAX-UHFFFAOYSA-N 394.413 -0.201 5 10 GBBE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1534011524 PIPQDCZMJDEBPC-UHFFFAOYSA-N 394.388 -0.261 5 10 GBBE CCN(CCO)c1nc(=NCCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871708372 KDEBXGMDZASIHL-UHFFFAOYSA-N 393.404 -0.401 5 10 GBBE CN=c1[nH]c(N2CCN(C)C[C@@H]2CNC(=O)C(F)(F)F)ncc1[N+](=O)[O-] 2173839115 IKHLWFIAJHIJNM-QMMMGPOBSA-N 377.327 -0.353 5 10 GBBE C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@+]3(C)CC[C@@H](OC1=O)[C@]23O 299817445 CRWHRMSWJOLABX-LMHBJLKPSA-N 382.433 -0.370 5 10 GBBE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 372807265 RDFNRQRMJXESEU-NSHDSACASA-N 389.434 -0.159 5 10 GBBE C[C@@H]1C/C(=C\CO)C(=O)O[C@@H]2CC[N@+]3(C)CC=C(COC(=O)[C@]1(C)O)[C@]23O 606575506 SFTHPGHXDNRVHD-MHBDFHPYSA-N 382.433 -0.370 5 10 GBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCNC1=O 1643005285 OCXLHJOWBCWKCX-ZDUSSCGKSA-N 384.414 -0.142 5 10 GBBE CC(=O)NCCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc([N+](=O)[O-])cc1 1861038222 UYTSNDAOKDSODW-CYBMUJFWSA-N 379.373 -0.789 5 10 GBBE COc1ccc(N=c2[nH]c(=NC[C@H](C)O)[nH]c(=NC[C@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871464651 MGRFGNZLNIDFJY-UWVGGRQHSA-N 393.404 -0.617 5 10 GBBE CS(=O)(=O)c1cc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc([N+](=O)[O-])c1 1275036651 CVKBWAWVGRQTBU-CHWSQXEVSA-N 383.382 -0.272 5 10 GBBE CS(=O)(=O)N[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 273272505 BWYATDBADDVKOF-LLVKDONJSA-N 377.444 -0.008 5 10 GBBE O=C(N[C@H](CO)CN1CCOCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 591833125 HCPLQKOPBAUWFZ-QWHCGFSZSA-N 396.400 -0.398 5 10 GBBE O=C1C[C@]2(CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CN1 1448673321 JOFATDAVWOMQQI-OAHLLOKOSA-N 382.398 -0.388 5 10 GBBE CN1C(=O)[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)C[C@@H]2C1=O 1535331406 OITXBYORWKKUNS-TXEJJXNPSA-N 381.366 -0.315 5 10 GBBE O=C1[C@@H](N2CCN3[C@H](CNS3(=O)=O)C2)CCN1c1cccc([N+](=O)[O-])c1 1620608619 SYRJATMFBNRTSB-KGLIPLIRSA-N 381.414 -0.466 5 10 GBBE CN(C)C(=O)CCN1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 471695236 ARWUXZLDMVRPNA-UHFFFAOYSA-N 385.446 -0.158 5 10 GBBE O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1)N1CCOCC1 531636448 QINYJDWWMYTZHB-UHFFFAOYSA-N 377.357 -0.867 5 10 GBBE CN1CCN(C[C@@H](O)CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 573239064 QQSOXFSRJRFJKI-HNNXBMFYSA-N 386.474 -0.434 5 10 GBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]12 595184362 CNMLVMPIEGIMMV-XQQFMLRXSA-N 383.382 -0.196 5 10 GBBE COc1cc(OCC(=O)NC2CN(S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-] 600712473 XORMPMLIUNCDRU-UHFFFAOYSA-N 388.402 -0.411 5 10 GBBE CC(=O)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 603455080 XQXRFQHCKFQMNU-LLVKDONJSA-N 384.414 -0.048 5 10 GBBE O=C(COc1ccccc1[N+](=O)[O-])N1CCN(CC(=O)N2CCOCC2)CC1 299211686 OGIMAYFSHMGHGC-UHFFFAOYSA-N 392.412 -0.023 5 10 GBBE CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](CNC(=O)OC(C)(C)C)C1 763475780 GYWIHLZUVKUNQS-NSHDSACASA-N 383.409 -0.146 5 10 GBBE O=CNCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C=Cc1ccccc1[N+](=O)[O-] 2330663862 FWSAXHJLPCMPIH-HOCLYGCPSA-N 390.396 -0.178 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1CCN(C(=O)C2CCC2)CC1 477823754 KSWINLXPTWJGGI-UHFFFAOYSA-N 391.428 -0.183 5 10 GBBE Cc1cc(C(=O)NCC(=O)N(C)CC(=O)N2CCNCC2)ccc1[N+](=O)[O-] 519594780 AJAIVKQXGUNASL-UHFFFAOYSA-N 377.401 -0.477 5 10 GBBE O=C1CS(=O)(=O)C[C@@H](C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)N1 1544202751 DEZHUTGBTRFSIU-AWEZNQCLSA-N 396.425 -0.848 5 10 GBBE C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 1872598922 KXBAYRJXGDGORD-LBPRGKRZSA-N 386.430 -0.290 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CCN(CCO)C[C@H]2C)cc1[N+](=O)[O-] 457094118 OSUDYRHAIZKLEY-GFCCVEGCSA-N 380.401 -0.142 5 10 GBBE NC(=O)C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 860015767 BHXYDJUENFVGNA-MRXNPFEDSA-N 391.428 -0.180 5 10 GBBE Cn1cc(C(=O)N2CCO[C@H](C(=O)N3CCSCC3)C2)cc([N+](=O)[O-])c1=O 1891833615 NOTUTRFMZFSCEQ-ZDUSSCGKSA-N 396.425 -0.290 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 520364765 YULLJGFPNCTTSA-LBPRGKRZSA-N 384.414 -0.081 5 10 GBBE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 1634613457 IJKCKWPGHZUKLA-NTZNESFSSA-N 396.425 -0.001 5 10 GBBE CN1C[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1=O 286970219 KGSPIYPKFKKOIS-ZDUSSCGKSA-N 389.412 -0.020 5 10 GBBE C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN1CCO 428513329 FYKQOFWXBIKJED-LBPRGKRZSA-N 378.385 -0.155 5 10 GBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 541114341 MPXYRENZPNXBSQ-CABCVRRESA-N 399.425 -0.339 5 10 GBBE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1261520952 KDTUIASIEAMOFG-JKSUJKDBSA-N 392.412 -0.148 5 10 GBBE C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 1325305758 OXDUQZNIHJKDJA-XHDPSFHLSA-N 379.369 -0.207 5 10 GBBE O=C(CN1CC[C@@H](O)[C@@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1460252900 JNPPTACFGFVTKO-RHSMWYFYSA-N 378.429 -0.082 5 10 GBBE C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC1=O)[C@@]23O 1615813459 CRWHRMSWJOLABX-AFMZJVCWSA-N 382.433 -0.370 5 10 GBBE biogenic NC(=O)C1(O)CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C1 2296076301 GYYDCFOISNMCOC-UHFFFAOYSA-N 391.121 -0.128 5 10 GBBE CCn1ncc(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 859294533 OHUDRCBBPDFZBH-UHFFFAOYSA-N 388.388 -0.434 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 863554827 JCEBKWUOXHSLDE-ZDUSSCGKSA-N 397.413 -0.279 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1135001486 XKWXYAUQDPPMEI-UHFFFAOYSA-N 385.398 -0.437 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)CCNC1=O 1643560788 NGFMCTNKVWQOAZ-OAHLLOKOSA-N 384.414 -0.142 5 10 GBBE O=C(O)CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@H]1O 2323540754 QWSMJINMVSMERB-CHWSQXEVSA-N 384.366 -0.321 5 10 GBBE C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 410742436 IBDSZMORHJEMKF-CHWSQXEVSA-N 377.401 -0.132 5 10 GBBE C[C@H](O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 414056583 QZBSLJRDFXNVPW-FZMZJTMJSA-N 387.414 -0.129 5 10 GBBE CN(CC(=O)N1CCNCC1)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598661527 HGXWIFBEWVMTAT-UHFFFAOYSA-N 378.389 -0.394 5 10 GBBE COc1ccc(N=c2nc(N3CC(O)C3)[nH]c(N3CC(O)C3)n2)c([N+](=O)[O-])c1 1871734946 KVSBFEJKANRIFI-UHFFFAOYSA-N 389.372 -0.684 5 10 GBBE CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)NC1=O 596641112 CIUFPMRXDRCNDQ-LLVKDONJSA-N 397.413 -0.549 5 10 GBBE CN1C[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1=O 806188281 RVFZUCAGVYHMFQ-CYBMUJFWSA-N 389.412 -0.020 5 10 GBBE COC[C@@H](C(N)=O)N(C)C(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 832861584 DIDGLDCQKIFAPJ-NSHDSACASA-N 386.311 -0.008 5 10 GBBE CN1CCN(C(=O)CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1159915949 MZANZBWMEVAHGK-UHFFFAOYSA-N 384.414 -0.498 5 10 GBBE O=C1NCC[C@@H]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1624023091 LKSVTVZFZBSWPQ-GFCCVEGCSA-N 396.425 -0.046 5 10 GBBE CN=c1nc(N2CCN(C)C[C@@H]2CNC(=O)C(F)(F)F)c([N+](=O)[O-])c[nH]1 2173975779 QXEIZRUCAGEYIP-QMMMGPOBSA-N 377.327 -0.353 5 10 GBBE Cn1cc([N+](=O)[O-])c(CN2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)n1 2196043882 JLOVPRHSCDOOMB-YUMQZZPRSA-N 378.311 -0.317 5 10 GBBE O=CNCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330588336 JSWJNBNPQNLNQP-HOTGVXAUSA-N 390.396 -0.178 5 10 GBBE Cc1nn2c(=O)c3ccccc3nc2n(NC(=O)c2ccc(=O)n(C)c2)c1=O 96629323 NBOYSNWKJPGKFD-UHFFFAOYSA-N 378.348 -0.205 5 10 GBBE CN1C[C@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1=O 286970218 KGSPIYPKFKKOIS-CYBMUJFWSA-N 389.412 -0.020 5 10 GBBE O=C(Cc1ccccc1[N+](=O)[O-])NCCNC(=O)N1CCN(CCO)CC1 585880662 XYHLHGGBWFPZPR-UHFFFAOYSA-N 379.417 -0.427 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)NN2CCN(C)CC2)c1 586408444 KVVSZEXOMMRLJS-UHFFFAOYSA-N 396.473 -0.040 5 10 GBBE C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599209831 CZJZXTUHIAWKTD-SNVBAGLBSA-N 386.434 -0.698 5 10 GBBE CNS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 599524702 ZOCUETHYLWFLHJ-SNVBAGLBSA-N 378.432 -0.060 5 10 GBBE Cn1cc(C(=O)N2CCC[C@@H](NS(=O)(=O)C3CC3)C2)cc([N+](=O)[O-])c1=O 1891808715 WFANXHAQWGOUNF-LLVKDONJSA-N 384.414 -0.020 5 10 GBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC[C@@H](O)CN1CCOCC1 574750197 KKGAGMDAPZBVLP-CYBMUJFWSA-N 388.446 -0.844 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CN(S(=O)(=O)N(C)C)C1 599501015 HAYDAJPDSRPMIC-UHFFFAOYSA-N 392.459 -0.019 5 10 GBBE CNCCCC(=O)N1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1351353921 TVJUFHBQMLQWGB-UHFFFAOYSA-N 388.450 -0.403 5 10 GBBE Cc1c(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCO)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861795373 WBKPGJZYGBSNDZ-GXFFZTMASA-N 382.329 -0.505 5 10 GBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1S(C)(=O)=O 1877646358 DWPKMQTXHLSGIO-RKDXNWHRSA-N 390.422 -0.410 5 10 GBBE CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 604399061 JGYPGPILAZXLKK-UHFFFAOYSA-N 384.461 -0.231 5 10 GBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1135633440 VTQRVPPVARCHSI-LSDHHAIUSA-N 383.426 -0.041 5 10 GBBE CN1C(=O)C(=O)N(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 1436605767 OIPDUXLIZAPRGV-UHFFFAOYSA-N 376.329 -0.941 5 10 GBBE CS(=O)(=O)CC1(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)COC1 1450893357 IQMJUWDGGFICLS-UHFFFAOYSA-N 384.414 -0.300 5 10 GBBE O=C(CN1CC[C@@H]1CO)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1460837587 POZKLHDYICDZAL-CQSZACIVSA-N 398.441 -0.506 5 10 GBBE C[C@H](O)[C@@H](NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026269 KFAZEJUADWAZHW-ISVAXAHUSA-N 379.325 -0.079 5 10 GBBE O=CNCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330588338 JSWJNBNPQNLNQP-JKSUJKDBSA-N 390.396 -0.178 5 10 GBBE Cc1cc(C(=O)NCC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)ccc1[N+](=O)[O-] 366627928 WOYBLHHMUGHXDZ-TZMCWYRMSA-N 376.369 -0.251 5 10 GBBE CN(C)C[C@@]1(O)CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 1643209010 UXFKOBWUGNZJQA-KRWDZBQOSA-N 379.417 -0.081 5 10 GBBE Cn1nccc1C1(O)CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1650875041 RIUWAFNUUYIUKJ-UHFFFAOYSA-N 385.336 -0.346 5 10 GBBE CN(C)CCN1C(=O)C(NCCCNC=O)=C(c2ccccc2[N+](=O)[O-])C1=O 1863592187 GHLGQXDCOGLGNL-UHFFFAOYSA-N 389.412 -0.038 5 10 GBBE O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1N1CCN(CCO)CC1 40613526 NRKSPRSMTOHYCR-UHFFFAOYSA-N 381.437 -0.757 5 10 GBBE CC(C)N1CCO[C@H](CN2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 246754126 PUPXSQXNMLPBAT-QZTJIDSGSA-N 396.492 -0.121 5 10 GBBE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CO)CN1CCOCC1 508339265 KNGVEJLRZQYVHB-CHWSQXEVSA-N 384.437 -0.363 5 10 GBBE O=[N+]([O-])c1sc(NCCN2CC[C@@H](O)C2)nc1NCCN1CC[C@@H](O)C1 599176277 PAHLRPZQDGQXSX-VXGBXAGGSA-N 386.478 0.008 5 10 GBBE Cc1ccc(S(=O)(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] 599505821 AFITXXKWLICVCD-LLVKDONJSA-N 393.443 -0.158 5 10 GBBE CN(C)CCNC(=O)[C@@H](CC(N)=O)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861129355 FLMJOUDMPRKEEW-SBDDDAINSA-N 377.401 -0.354 5 10 GBBE C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593529761 FLJWHMXZXMOUJS-LLVKDONJSA-N 383.430 -0.037 5 10 GBBE CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599209304 REZIOMQZSRYXOK-UHFFFAOYSA-N 388.450 -0.497 5 10 GBBE COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1[N+](=O)[O-] 416441315 UYRNBFDZHRUEJD-NSHDSACASA-N 384.414 -0.341 5 10 GBBE CN(C)CCN1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1=O 593235363 POGPOEYRDYDTAA-UHFFFAOYSA-N 398.441 -0.156 5 10 GBBE CN1CC(CN(C)C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 595189518 VAAGVHWAMAHRFN-UHFFFAOYSA-N 376.417 -0.342 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 599506261 FANNJFCSNFPIRX-GFCCVEGCSA-N 393.443 -0.325 5 10 GBBE COc1ccc(C(=O)NCC(=O)N[C@@H](CO)CN2CCCC2)cc1[N+](=O)[O-] 1625506173 XWVMULDCABSLSZ-CYBMUJFWSA-N 380.401 -0.094 5 10 GBBE CN(C)C(=O)C1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 489505163 DMPVIJCYOPFLNA-UHFFFAOYSA-N 384.414 -0.142 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 599506668 IIOBZRDPQDKWFM-CYBMUJFWSA-N 393.443 -0.325 5 10 GBBE Cc1cc(S(=O)(=O)N2CCOC[C@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] 599508406 WZZUWEWISHBYML-LLVKDONJSA-N 393.443 -0.158 5 10 GBBE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 2233973906 JQSVATDGWDTPPM-NTZNESFSSA-N 385.377 -0.751 5 10 GBBE CN(C)c1nccc(N2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 471193306 FOTICCYAHSREMQ-AWEZNQCLSA-N 376.421 -0.170 5 10 GBBE CS(=O)(=O)c1cc(C(=O)N[C@H](CO)CN2CCOCC2)cc([N+](=O)[O-])c1 559257717 NJPYODOZWQAIMY-LBPRGKRZSA-N 387.414 -0.579 5 10 GBBE Cn1cnnc1N1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 1327219762 FJPKTDBAFYYSTR-UHFFFAOYSA-N 387.400 -0.269 5 10 GBBE COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc([N+](=O)[O-])c1 13987813 DOQUKZCKXHFNKC-LLVKDONJSA-N 380.382 -0.027 5 10 GBBE O=C(CO)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 497447278 VHFFUXCJLNFFMH-NSHDSACASA-N 380.357 -0.545 5 10 GBBE CN1C2(CCC2)COC[C@@]1(CO)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 599387119 HTZOPRNXXSHEBW-HNNXBMFYSA-N 386.430 -0.116 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1464504282 NNYQHSJLFWEUGB-STQMWFEESA-N 399.425 -0.049 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(O)(CN2CCOCC2)CC1 1631389587 FKXKYVGGOHCULT-UHFFFAOYSA-N 380.401 -0.558 5 10 GBBE Cc1ncc([N+](=O)[O-])n1CCN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1654451834 IMMDFWPMRAVFCO-UHFFFAOYSA-N 394.479 -0.310 5 10 GBBE CC(=O)NCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc([N+](=O)[O-])c1C 1861009608 BWPWRVFDYZHRGL-ZDUSSCGKSA-N 393.400 -0.481 5 10 GBBE O=C(O)CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CS(=O)(=O)C[C@H]1O 1866332685 MVHZVEOLSIGUTN-GHMZBOCLSA-N 392.773 -0.067 5 10 GBBE COC(=O)C1CCN(CCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599215129 BLMNHDVCJKYHST-UHFFFAOYSA-N 389.434 -0.118 5 10 GBBE COC(=O)[C@](C)(NC(=O)CN1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 600539047 WYETUGBBTXSQCQ-QGZVFWFLSA-N 378.385 -0.127 5 10 GBBE Cn1cc(/C=C\C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)c(=O)n(C)c1=O 761370384 PDFWIXMNDIAUQZ-UTCJRWHESA-N 376.325 -0.590 5 10 GBBE O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1c[nH]c(=O)[nH]c1=O 21127255 QTADKMVTYZLVPR-UHFFFAOYSA-N 387.308 -0.014 5 10 GBBE COc1ccc(N=c2[nH]c(N(C)CCO)nc(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871706591 JFUIDFGCNBPXHY-SNVBAGLBSA-N 393.404 -0.403 5 10 GBBE CC(C)NC(=O)[C@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1118703366 CLOUEZOVKNKBCA-LBPRGKRZSA-N 380.405 -0.329 5 10 GBBE CC1(C(N)=O)CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 1345731926 DFABSLUVNREODO-UHFFFAOYSA-N 384.414 -0.073 5 10 GBBE COc1ccc(NC(=O)[C@@H](C)N2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1648413296 WQMWUWGYSIDILF-GHMZBOCLSA-N 399.429 -0.235 5 10 GBBE Cc1cc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)c(C)cc1[N+](=O)[O-] 599501806 WZDUVRGUJBGFBZ-UHFFFAOYSA-N 392.459 -0.019 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 609518208 ZGUWKZLWJLOXAN-LBPRGKRZSA-N 380.405 -0.349 5 10 GBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC(N2C(=O)O[C@H]3CNC[C@H]32)CC1 861614015 TZQNBQVIVAJWSF-KGLIPLIRSA-N 393.404 -0.242 5 10 GBBE COC(=O)[C@@]1(N2CCN(C(=O)c3c([N+](=O)[O-])c(C)nn3C)CC2)CCOC1 1118944595 RAJQLNDGZAZMQC-MRXNPFEDSA-N 381.389 -0.273 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1329657643 TUUKAVVIPPQBHT-INIZCTEOSA-N 380.357 -0.856 5 10 GBBE O=[N+]([O-])c1c(NCCCN2CCOCC2)ncnc1N1CCN(CCO)CC1 40613402 WDLXLWQONZSROG-UHFFFAOYSA-N 395.464 -0.367 5 10 GBBE NC(=O)c1ccc2oc3c(S(N)(=O)=O)cc(S(N)(=O)=O)cc3c(=O)c2c1 199105973 IDVLCOBONFHGRU-UHFFFAOYSA-N 397.390 -0.660 5 10 GBBE O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 460761898 YUFSQNULFBZUTA-UHFFFAOYSA-N 398.441 -0.142 5 10 GBBE NC(=O)CN1CCN(CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CC1=O 840159390 DFQDLSGNEZOZRM-MRXNPFEDSA-N 377.357 -0.881 5 10 GBBE CC1(F)CN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1322137525 UUUADFNQPZOLRB-UHFFFAOYSA-N 388.377 -0.440 5 10 GBBE C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 1545547597 PQWAPHMCSIVZKX-DGCLKSJQSA-N 386.430 -0.292 5 10 GBBE O=C(O)CN(CC(=O)O)C(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1866341239 FHDGNSVPNYHYBS-UHFFFAOYSA-N 393.308 -0.031 5 10 GBBE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc([N+](=O)[O-])cn1)C2 530334351 PNUUXSHYEOFZMA-UHFFFAOYSA-N 375.345 -0.908 5 10 GBBE CN(CCS(N)(=O)=O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1473767341 BWQWYFFCZIAZOY-UHFFFAOYSA-N 385.446 -0.536 5 10 GBBE COC1(OC)CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@@H]1O 1643449182 BRDXHLMAYKVALR-AWEZNQCLSA-N 395.368 -0.098 5 10 GBBE O=C(O)[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 422929546 QLEHFXXXSPOBKC-NSHDSACASA-N 377.357 -0.429 5 10 GBBE COC(=O)[C@](C)(NC(=O)CN1CC(=O)N(C)C1=O)c1cccc([N+](=O)[O-])c1 600523299 OKSFCPZJIOZQDY-MRXNPFEDSA-N 378.341 -0.007 5 10 GBBE CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 1647905384 AWHDUXBWOICMLW-ZDUSSCGKSA-N 386.430 -0.602 5 10 GBBE COc1ccc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 265336475 XHWCARIBPLMSTH-VIFPVBQESA-N 379.416 -0.084 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCO[C@@]2(CCOC2)C1 1138561725 AYNUMMGZFMSBOT-HNNXBMFYSA-N 385.398 -0.109 5 10 GBBE CCN(OC)C(=O)CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1326154866 AGAWIBBFTSXDHA-UHFFFAOYSA-N 380.357 -0.290 5 10 GBBE O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 1327399458 QZLJJAQBLGQQGA-UHFFFAOYSA-N 385.402 -0.252 5 10 GBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)n1 1462565255 OKVQXMGLOAFZIT-UHFFFAOYSA-N 394.388 -0.110 5 10 GBBE Cn1ccnc(N2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)c1=O 490340897 GWWUCHPHBPPBEA-UHFFFAOYSA-N 376.377 -0.583 5 10 GBBE COC(=O)[C@]1(OC)CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 600282609 QVTCCQRLKHAOIA-KRWDZBQOSA-N 391.336 -0.019 5 10 GBBE CN(CCO)c1nc(=NCCOCCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520319 FDHJEDKDGTUVAA-UHFFFAOYSA-N 393.404 -0.784 5 10 GBBE O=C([C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1)N1CCOCC1 1892083984 WYTLJWCUGNMGPG-CYBMUJFWSA-N 385.398 -0.157 5 10 GBBE COC(=O)[C@@](C)(NC(=O)CN1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 600525284 BIJHEUSYSNPAJE-INIZCTEOSA-N 399.425 -0.170 5 10 GBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@](C)(O)CN(C)C 273595813 QXJVAOFPDQUHSL-AWEZNQCLSA-N 375.403 -0.028 5 10 GBBE CCN(OC)C(=O)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1329401706 WREUTPOHFZSWTO-UHFFFAOYSA-N 393.400 -0.231 5 10 GBBE CN1CCN(C(=O)CCNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1627184912 KZIJCJUMPSYAAD-UHFFFAOYSA-N 398.441 -0.108 5 10 GBBE O=[N+]([O-])c1cc(CO)c(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1F 1650939917 FCLAIYGWOHILHY-HUUCEWRRSA-N 389.405 -0.494 5 10 GBBE COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 1680941838 KPZRABYGINRNOF-GFCCVEGCSA-N 385.402 -0.353 5 10 GBBE COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 13987928 SRCKLNIWSOPRGD-LLVKDONJSA-N 380.382 -0.027 5 10 GBBE O=[N+]([O-])c1cc(Cl)cnc1N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 272163680 AZQBUZULVOFMLY-NEPJUHHUSA-N 376.822 -0.077 5 10 GBBE CN1CCO[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O 1625265274 ATXVCEDRIFXHGA-CQSZACIVSA-N 376.369 -0.264 5 10 GBBE CN1CCN(c2cc(CNS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])ccn2)CC1 599214051 IJHXXHQVHRQNHP-UHFFFAOYSA-N 395.445 -0.046 5 10 GBBE CN1C[C@@H](CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 1596372879 IYFULIKIZJRVLE-NSHDSACASA-N 384.414 -0.142 5 10 GBBE O=C(CN1CCN2[C@H](CNS2(=O)=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 1655680788 OAVOCVIWKLFWBU-CYBMUJFWSA-N 381.414 -0.682 5 10 GBBE O=C1CC[C@H](NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1 1859461096 RGHZTCPZRNKQNK-LBPRGKRZSA-N 388.336 -0.108 5 10 GBBE O=C(C(=O)N1CC[C@@H]2NCC[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423594623 OIFSHNYTNVBSGD-KBPBESRZSA-N 388.428 -0.151 5 10 GBBE COc1ccc(NC(=O)CCN2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1560169438 MORCBOAJEBMDKC-NSHDSACASA-N 399.429 -0.234 5 10 GBBE CCN1CCN(CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C(=O)C1=O 1648783191 QLQFXCFHFHLKJK-KRWDZBQOSA-N 378.385 -0.391 5 10 GBBE O=C(COc1nonc1C(=O)N(CCO)CCO)Nc1cccc([N+](=O)[O-])c1 1872681075 QUMJBKQJKZZPDH-UHFFFAOYSA-N 395.328 -0.578 5 10 GBBE CS(=O)(=O)c1cc(C(=O)N[C@@H](CO)CN2CCOCC2)cc([N+](=O)[O-])c1 559257712 NJPYODOZWQAIMY-GFCCVEGCSA-N 387.414 -0.579 5 10 GBBE Cn1nnnc1CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 772455501 LOEHDTGFWYAMMI-VIFPVBQESA-N 377.336 -0.031 5 10 GBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 463105978 OUYUUWQBYBXDGF-AWEZNQCLSA-N 388.384 -0.227 5 10 GBBE CNc1nccc(C(=O)N2CCN([C@H]3CCNC(=O)CC3)CC2)c1[N+](=O)[O-] 566748145 LTRYBXDNUXICGA-GFCCVEGCSA-N 376.417 0.458 5 10 GBBE O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCO[C@]2(CCS(=O)(=O)C2)C1 1331033545 ROMAIWXOVJPHFW-OAHLLOKOSA-N 399.429 -0.385 5 10 GBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@]1(C)CCNC1=O 1451641748 NSEWKLOUVLCKPW-HNNXBMFYSA-N 384.414 -0.142 5 10 GBBE O=C(NC[C@@]12COCCN1C(=O)COC2)c1n[nH]c2ccc([N+](=O)[O-])cc12 1532282585 UGGCBMVYZUNCHJ-INIZCTEOSA-N 375.341 -0.171 5 10 GBBE CN(C)CCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCNC=O)C1=O 1863602674 ZOPNUGWFIYVKBF-UHFFFAOYSA-N 389.412 -0.038 5 10 GBBE O=C(O)CC[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1866023661 GBWIJTCTSFHBFY-QMMMGPOBSA-N 379.281 -0.375 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)n1 755562965 LEQCVBPKZKQAPZ-UHFFFAOYSA-N 396.404 -0.800 5 10 GBBE NC(=O)CN1CCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1=O 848488943 ODGGZGFFDBCXBS-CQSZACIVSA-N 375.385 -0.502 5 10 GBBE O=C1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2(CN1)COC2 1473771477 GHWVNZNAPOKMFL-UHFFFAOYSA-N 389.412 -0.556 5 10 GBBE C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 414584087 IMRWZBSXNBQAJZ-CJNGLKHVSA-N 392.412 -0.148 5 10 GBBE COc1cc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1[N+](=O)[O-] 492973319 QURRVRIOPQMBML-HUUCEWRRSA-N 385.442 -0.121 5 10 GBBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1CCO 769044598 WOLIIVSDIWBHRZ-CYBMUJFWSA-N 387.414 -0.127 5 10 GBBE CC(=O)NCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCN(C)C)C1=O 1863592821 ZZLGZUIPERIQHA-UHFFFAOYSA-N 389.412 -0.038 5 10 GBBE CNC(=O)[C@@H](C)NC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867848592 ZZGKIXBLTQAYBX-PSASIEDQSA-N 397.344 -0.847 5 10 GBBE CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 554342467 DWTDCCXKCMUORO-AWEZNQCLSA-N 375.429 -0.159 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 1136949448 VHWBAJYILJZJEK-ZDUSSCGKSA-N 377.401 -0.039 5 10 GBBE CS(=O)(=O)C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 1617933144 GNSGQYKBTXYFEZ-AWEZNQCLSA-N 399.425 -0.013 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)n1 425314473 JRJSOGICNQKCRY-GFCCVEGCSA-N 382.421 -0.280 5 10 GBBE CO[C@@]1(CO)CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 598000508 XKHDNOBWYGMYAZ-HNNXBMFYSA-N 387.414 -0.127 5 10 GBBE CN(C)C(=O)CCN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 268758932 ZJDLPYUPAAPPHT-UHFFFAOYSA-N 391.428 -0.053 5 10 GBBE O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 592302875 OLVWYBYDIVYKQT-HNNXBMFYSA-N 383.382 -0.051 5 10 GBBE C[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN1S(C)(=O)=O 598638694 YRKURUCDGXGSAP-LLVKDONJSA-N 386.434 -0.309 5 10 GBBE CC[S@@](=O)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 805615578 FURXGAGHOZXRSC-AREMUKBSSA-N 383.430 -0.477 5 10 GBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1148334190 QEDPBCRTUIQJTN-HUUCEWRRSA-N 382.442 -0.226 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1464504276 NNYQHSJLFWEUGB-QWHCGFSZSA-N 399.425 -0.049 5 10 GBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1544477543 YVTAUCRNVOCPRB-GFCCVEGCSA-N 377.401 -0.160 5 10 GBBE CN1CCN(CCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1(C)C 1568095571 RIAVSJNRLCVITI-UHFFFAOYSA-N 399.473 -0.002 5 10 GBBE NC(=O)c1cccc([N+](=O)[O-])c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 420580712 CWULDAIXTWTXFE-UHFFFAOYSA-N 399.429 -0.607 5 10 GBBE CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 599501001 GUCZNXSQOKMFAI-UHFFFAOYSA-N 382.395 -0.497 5 10 GBBE CN1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1=O 1328299091 RGZLDFXYFJECAP-UHFFFAOYSA-N 389.412 -0.066 5 10 GBBE NC(=O)[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2cc(N)c([N+](=O)[O-])cn2)C1 2173845066 JBEOMOSIOFDSPT-RNFRBKRXSA-N 376.295 -0.069 5 10 GBBE CN1CN(CC(=O)Nc2cc(N3CC(=O)N(C)C3)ccc2[N+](=O)[O-])CC1=O 545904373 DDTVZHAYIGTMBY-UHFFFAOYSA-N 376.373 -0.499 5 10 GBBE Cc1cc(C(=O)NCC(=O)N[C@H](CO)CN2CCOCC2)ccc1[N+](=O)[O-] 550117422 VTAOWBMZWDUPBW-AWEZNQCLSA-N 380.401 -0.558 5 10 GBBE NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN3CCCN2CC3)cc1[N+](=O)[O-] 597624973 MZMWBGNBCBFCSE-GFCCVEGCSA-N 383.430 -0.638 5 10 GBBE O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1[nH]nc([N+](=O)[O-])c1Cl 1628647017 QFCKXXWGVNNUCE-VIFPVBQESA-N 386.796 -0.366 5 10 GBBE O=C(CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCNC1=O 16519849 JGZPYOUJGZTINF-UHFFFAOYSA-N 397.413 -0.547 5 10 GBBE Nc1nc(-c2cccc([N+](=O)[O-])c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 31393494 ACAOMVAOUMITTJ-UBEDBUPSSA-N 388.340 -0.405 5 10 GBBE C[C@H]1COCCN1S(=O)(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 41240392 SXKNQJSOPKRDKE-NSHDSACASA-N 393.443 -0.076 5 10 GBBE O=C(NC[C@@H]1CNC[C@@H]1O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 262357962 UZDROCHPALKYOX-CQDKDKBSSA-N 398.441 -0.556 5 10 GBBE CNc1nccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1[N+](=O)[O-] 581833699 TZRVHUZFAWPICC-SNVBAGLBSA-N 386.434 0.032 5 10 GBBE CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(CC(N)=O)CC1 590586185 LEYPMWQKCOZKJM-UHFFFAOYSA-N 385.446 -0.110 5 10 GBBE CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594748910 OWFLDDJJMIRGDF-SNVBAGLBSA-N 378.432 -0.060 5 10 GBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 599507717 QJKINXKVVIUXAM-NSHDSACASA-N 393.443 -0.158 5 10 GBBE CCn1cc(S(=O)(=O)N(C)CCN2CCCS2(=O)=O)c([N+](=O)[O-])n1 611106389 AMCJAEKGUGNRGI-UHFFFAOYSA-N 381.436 -0.533 5 10 GBBE Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)CC(=O)N1CCNCC1 841155742 CDALPFSQANHTPI-UHFFFAOYSA-N 381.364 -0.129 5 10 GBBE CNS(=O)(=O)CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1687272441 JFHDFQKYIFLBLP-UHFFFAOYSA-N 386.434 -0.239 5 10 GBBE CCN=c1[nH]c(C)cc(=NCCNC(=O)c2cc([N+](=O)[O-])c(=O)n(C)c2)[nH]1 1890740922 LGXCCUQOFZMDSR-UHFFFAOYSA-N 375.389 -0.491 5 10 GBBE CC(C)(C)NC(=O)CN1CCC(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 431549819 YMBSNRLZMGEPLN-UHFFFAOYSA-N 381.437 -0.071 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)n1 859233469 OTTKXMFMTPGJLA-NWDGAFQWSA-N 394.413 -0.133 5 10 GBBE CCN(OC)C(=O)CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1328363031 APNIQJAPCBBKMN-UHFFFAOYSA-N 393.400 -0.231 5 10 GBBE N=c1cc([N+](=O)[O-])cc(N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)[nH]1 2173805369 JLFBXUJLCRSVIP-NKWVEPMBSA-N 376.295 -0.239 5 10 GBBE O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)cc3oc-2c1 110339800 QULZFZMEBOATFS-HSFUPAIVSA-N 375.333 -0.529 5 10 GBBE O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1135633437 VTQRVPPVARCHSI-CABCVRRESA-N 383.426 -0.041 5 10 GBBE C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3(C)CC[C@@H](OC1=O)[C@]23O 299817444 CRWHRMSWJOLABX-LCHQQGAESA-N 382.433 -0.370 5 10 GBBE O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 592302878 OLVWYBYDIVYKQT-OAHLLOKOSA-N 383.382 -0.051 5 10 GBBE O=C(NCC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21)c1cccc([N+](=O)[O-])c1 1637636837 UTNKHEMHHXVXID-KGLIPLIRSA-N 397.409 -0.261 5 10 GBBE CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594778659 RNVZVEGECSHLHL-UHFFFAOYSA-N 378.432 -0.060 5 10 GBBE COC(=O)[C@@]1(N2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCOC1 1118886539 FBBGFNBBFQDURX-GDBMZVCRSA-N 383.405 -0.898 5 10 GBBE COc1nc(=NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]cc1[N+](=O)[O-] 2233972634 IDKJGAJFEKPUCG-DVVUODLYSA-N 385.377 -0.432 5 10 GBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 599508516 YTYCBNOKISHDSP-NSHDSACASA-N 393.443 -0.158 5 10 GBBE CCc1[nH]nc(C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)c1[N+](=O)[O-] 1118942815 GMKGMGPIBLJFTQ-INIZCTEOSA-N 381.389 -0.030 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)n1 1143326984 OYEPDUVZGDWFSQ-KGLIPLIRSA-N 384.414 -0.474 5 10 GBBE NC(=O)c1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 22814089 XCHHVGSPAIWWNS-UHFFFAOYSA-N 377.401 -0.326 5 10 GBBE C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 470378851 GPBOOMBDMXJMBE-WCQYABFASA-N 387.414 -0.129 5 10 GBBE CC(=O)NCCC(=O)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868732502 KPMIZMPLJHANMU-UHFFFAOYSA-N 377.401 -0.114 5 10 GBBE CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCOCCO 1872615698 DZCKOQFJOIHPLZ-LLVKDONJSA-N 375.403 -0.223 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)n1 599501949 MTCWKZMGWXZGQD-ZDUSSCGKSA-N 396.429 -0.097 5 10 GBBE NC(=O)CC[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCCO 1861129722 KWFXHMBSYAQAKV-YSKGHYERSA-N 378.385 -0.143 5 10 GBBE C[C@@H](O)[C@@H](CO)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 413443341 FCTGHPJHXOATOQ-BXUZGUMPSA-N 388.446 -0.316 5 10 GBBE Cc1c(C(=O)N[C@@H](CO)CN2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 578076470 JWOPGVJCDSLPTC-CYBMUJFWSA-N 390.400 -0.093 5 10 GBBE C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 1325305757 OXDUQZNIHJKDJA-NHYWBVRUSA-N 379.369 -0.207 5 10 GBBE NC(CO)(CO)C(=O)Nc1ccc(I)cc1[N+](=O)[O-] 2344090222 MYKJKYRENSGLJL-UHFFFAOYSA-N 381.126 -0.180 5 10 GBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNC(=O)[C@H]1CCCO1 169842421 OMIQCHWREHBEEO-CYBMUJFWSA-N 390.352 -0.398 5 10 GBBE Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 267157399 FWZPEASHPDESLR-CABCVRRESA-N 383.426 -0.181 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[S@](=O)C1 474956268 UZGJODRCVOQNDG-WYVULQQZSA-N 375.428 -0.100 5 10 GBBE Cc1nn(CCC(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c(C)c1[N+](=O)[O-] 1152828875 AIBYWTQTFIPWAZ-WFFHOREQSA-N 375.341 -0.232 5 10 GBBE O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCN(C(=O)Cn2cnnn2)CC1 1626912712 ABIIOCCIPVDWDF-UHFFFAOYSA-N 377.336 -0.366 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)NC3=NCC(=O)N3C)cc2[N+](=O)[O-])CC1 1647892099 HAWQACFRYONSIR-UHFFFAOYSA-N 388.384 -0.179 5 10 GBBE NC(=O)[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ccc(N)c([N+](=O)[O-])n2)C1 2173843584 DJAWFWLTUSQGMA-RQJHMYQMSA-N 376.295 -0.069 5 10 GBBE O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1(N2CCOCC2)CC1 1626062717 BLLRWYYDRSKUJI-UHFFFAOYSA-N 398.441 -0.146 5 10 GBBE NC(=O)[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ncnc(F)c2[N+](=O)[O-])C1 2162864707 GKHZENMGTJZRLZ-NTSWFWBYSA-N 380.258 -0.117 5 10 GBBE CNC(=O)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 542914429 AEEPUFUVJOSRKK-ZYHUDNBSSA-N 380.357 -0.234 5 10 GBBE CN(CCN1CCCS1(=O)=O)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598599806 FSARUDRGPUVWKG-UHFFFAOYSA-N 386.434 -0.307 5 10 GBBE O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCN2[C@@H](CNS2(=O)=O)C1 1156622147 OXYFCUDKEJIWNQ-LBPRGKRZSA-N 392.397 -0.245 5 10 GBBE COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1629324895 WINNEFYZSUJAEV-DGCLKSJQSA-N 393.352 -0.089 5 10 GBBE CN(C)CCNC(=O)[C@H](CC(N)=O)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330670948 FLMJOUDMPRKEEW-ZDUSSCGKSA-N 377.401 -0.354 5 10 GBBE Cc1cc([N+](=O)[O-])cn(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1=O 489091462 NBDOSFXHCKZKBW-ZDUSSCGKSA-N 398.441 -0.604 5 10 GBBE CNC(=O)CN1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 368828184 DJQNQKCMLXSXMX-UHFFFAOYSA-N 377.401 -0.395 5 10 GBBE CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3cn(CC)nc3[N+](=O)[O-])CCN2C1=O 611106768 HSFBOLBXFPRVNX-VIFPVBQESA-N 386.390 -0.532 5 10 GBBE C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1295920805 BVHWBPFDASFFSN-LBPRGKRZSA-N 388.384 -0.100 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1320380031 AYKPXEZKXFHOCO-KBPBESRZSA-N 384.414 -0.786 5 10 GBBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(N[C@@H]2CCOC2)C1 1597699522 DUUFECYGWCZCBS-GFCCVEGCSA-N 398.441 -0.148 5 10 GBBE O=C(C(=O)N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)N1CCOCC1 277847537 NCBRPLXEYRTUDL-UHFFFAOYSA-N 388.384 -0.022 5 10 GBBE CS(=O)(=O)c1ccc(N2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1307216257 XYGRIPUMKOJQPL-VIFPVBQESA-N 376.416 -0.663 5 10 GBBE CN(CC(=O)N1CC2(CCNC(=O)O2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1558627832 MEYAOMDTWGAGSK-UHFFFAOYSA-N 398.397 -0.074 5 10 GBBE COc1cc(OCC(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)ccc1[N+](=O)[O-] 1588110755 GBXRABCHONJKGW-YIKOMLBNSA-N 389.320 -0.048 5 10 GBBE CCn1c(C)nc([N+](=O)[O-])c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 574388479 ZDYKAVWHBNGYTH-UHFFFAOYSA-N 388.450 -0.181 5 10 GBBE COc1cc(C(=O)NC[C@]23COCCN2C(=O)COC3)c([N+](=O)[O-])cc1OC 1132364816 PPRILBKORDEDQF-QGZVFWFLSA-N 395.368 -0.030 5 10 GBBE CNC(=O)c1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 299085570 SXFFRINRFKKQND-UHFFFAOYSA-N 391.428 -0.065 5 10 GBBE O=C(CN1CCN2CCOC[C@@]2(CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 1620619111 VMOGGCAHGZPSJJ-SFHVURJKSA-N 376.413 -0.137 5 10 GBBE COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] 416388489 LGUQKAARFPVKMF-LLVKDONJSA-N 386.430 -0.095 5 10 GBBE CNC(=O)CN1CCCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 1558458198 DQNFEBYQIXWGOS-UHFFFAOYSA-N 398.441 -0.108 5 10 GBBE N=c1cc([N+](=O)[O-])cc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)[nH]1 2173805367 JLFBXUJLCRSVIP-BQBZGAKWSA-N 376.295 -0.239 5 10 GBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1cn(C)c(=O)n1C 1162121879 QXWMCRRCVZVXSD-UHFFFAOYSA-N 397.413 -0.318 5 10 GBBE CC(C)N1CC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 1617671527 BFGJZGNRDBJCDR-NSHDSACASA-N 384.414 -0.001 5 10 GBBE Cn1[nH]c([N+](=O)[O-])nc1=NC[C@@H]1COCC2(CN(C(=O)OC(C)(C)C)C2)O1 2279297255 UURVMSAUADHAAU-SNVBAGLBSA-N 384.393 -0.038 5 10 GBBE CC(C)N1CCO[C@H](CN2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 174782854 PUPXSQXNMLPBAT-ZWKOTPCHSA-N 396.492 -0.121 5 10 GBBE CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593569624 YFIUEDHDTVQODK-ZDUSSCGKSA-N 383.430 -0.083 5 10 GBBE CN1C[C@@H](COCCN2CCN(c3ncccc3[N+](=O)[O-])CC2)OCC1=O 1853026212 PRACQQMRXWRRHO-AWEZNQCLSA-N 379.417 -0.014 5 10 GBBE CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCOCCO 1872615822 HQPIJWQIKDPDTK-ZDUSSCGKSA-N 375.403 -0.223 5 10 GBBE CN=c1[nH]cc([N+](=O)[O-])c(=NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]1 2234036726 UNWXFOSDOMNJLW-DVVUODLYSA-N 384.393 -0.977 5 10 GBBE O=C(CN1CCN2C[C@H](O)C[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 847039221 HNVKHIUSWBBFDH-ZWKOTPCHSA-N 389.456 -0.006 5 10 GBBE O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC(=O)N1C[C@@H]2CCCN2C[C@@H]1CO 1471641492 IMJUWPGENGDHCS-NWDGAFQWSA-N 388.380 -0.142 5 10 GBBE CN(C)S(=O)(=O)N1CC(Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 599186069 ZXIVLXIMVPHQPC-UHFFFAOYSA-N 384.418 -0.312 5 10 GBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ncc1Br 1306901788 JIGMGZGNJZCRRX-ZCFIWIBFSA-N 382.192 -0.112 5 10 GBBE O=CNCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C=Cc1cccc([N+](=O)[O-])c1 2330624162 ZMFYZRQOIBWKPK-JKSUJKDBSA-N 390.396 -0.178 5 10 GBBE O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2CCOC[C@H]2C1 1117309447 YGDQBLJADAAWFR-CQSZACIVSA-N 378.385 -0.367 5 10 GBBE CCc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NC[C@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871621650 OCCXNSABLQZPDA-JTQLQIEISA-N 389.416 -0.097 5 10 GBBE O=c1ccc2nc3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3oc-2c1 44170803 QULZFZMEBOATFS-NNPSNHGLSA-N 375.333 -0.529 5 10 GBBE in-vitro O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 62064111 XDEPFZGFGPTYBC-SECBINFHSA-N 377.400 -0.824 5 10 GBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(CC(=O)N2CCOCC2)CC1 298268202 BXXXYNDXMRBQHJ-UHFFFAOYSA-N 378.389 -0.931 5 10 GBBE Cc1c(N=c2[nH]c(N3CCOCC3)nc(=NCCO)[nH]2)cccc1[N+](=O)[O-] 1871645005 JRPRXJZVGPYNEJ-UHFFFAOYSA-N 375.389 -0.084 5 10 GBBE COc1ccc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 265336473 XHWCARIBPLMSTH-SECBINFHSA-N 379.416 -0.084 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@H]1CN2CCCN1CC2 597624485 AYNKLUBAECIWEL-LBPRGKRZSA-N 387.396 -0.303 5 10 GBBE O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CN([C@H]2CCOC2)C1 1146285026 RWRDVIVPUZHLCH-ZDUSSCGKSA-N 398.441 -0.290 5 10 GBBE CN1CCN(C)[C@@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1293352714 YCERTVGUHRKTEW-LBPRGKRZSA-N 385.446 -0.765 5 10 GBBE CNS(=O)(=O)CCNC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 829876526 NDQPULZNYAOKCH-UHFFFAOYSA-N 392.340 -0.301 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 859396107 JKCMKPUZEKCJHM-QMMMGPOBSA-N 385.445 -0.405 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2C(=O)OCC[C@H]2C1 1295108856 RSPINKGCOSFUJM-NSHDSACASA-N 398.397 -0.074 5 10 GBBE CN1C[C@H](C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 1452199378 ZBRGMKBIIJBQID-LLVKDONJSA-N 384.414 -0.190 5 10 GBBE O=C(CN1CCN2[C@@H](CNS2(=O)=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 1655680789 OAVOCVIWKLFWBU-ZDUSSCGKSA-N 381.414 -0.682 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 554361668 GCSAHKXOJCREIT-GFCCVEGCSA-N 384.414 -0.081 5 10 GBBE NC(=O)CC[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCO 2330592668 XFYIQDVBVRFGOE-AWEZNQCLSA-N 378.385 -0.143 5 10 GBBE CN1C(=O)CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1=O 274647147 GOGKXEAXZWBYCV-UHFFFAOYSA-N 398.397 -0.579 5 10 GBBE Cc1c(CNC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)cccc1[N+](=O)[O-] 593930699 UYNAZAYXGMJYDL-UHFFFAOYSA-N 391.428 -0.248 5 10 GBBE COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599283083 XZXCIPFOHRIZBP-UHFFFAOYSA-N 375.407 -0.414 5 10 GBBE CC1(F)CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1324914824 ZLSCZIWQWCTQNY-UHFFFAOYSA-N 388.377 -0.440 5 10 GBBE CN(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 611032823 BHGUKCARJXURKA-UHFFFAOYSA-N 392.459 -0.151 5 10 GBBE O=C(CN1CCNCCNCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 923463643 HJALXUBBOLGQQV-UHFFFAOYSA-N 376.461 -0.262 5 10 GBBE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(CC[N+](=O)[O-])CC1 1473255984 WLINJPKLGVDLSB-UHFFFAOYSA-N 391.471 -0.018 5 10 GBBE CN(C)CCCN(C)CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 597989705 IEPBQSGXPRTVIW-UHFFFAOYSA-N 387.462 -0.145 5 10 GBBE N=c1ccc([N+](=O)[O-])c(N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)[nH]1 2173803886 BRTULIDVEJOKCF-RNFRBKRXSA-N 376.295 -0.239 5 10 GBBE CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@H]1OC(C)=O 101178996 USHWODHGXQXCCH-DGXTUMSLSA-N 384.341 -0.512 5 10 GBBE CC(=O)NCCNC(=O)[C@@H](CC(N)=O)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330636257 OJKRLYNEWSFHJW-CQSZACIVSA-N 391.384 -0.780 5 10 GBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC(O)(CN2CCOCC2)CC1 594773369 QCNUTWDITJYUNX-UHFFFAOYSA-N 386.430 -0.162 5 10 GBBE Cn1nnnc1CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 611330873 SBMRHMOBFOIWFH-UHFFFAOYSA-N 394.417 -0.110 5 10 GBBE CNC(=O)NC[C@@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 863286133 KFFBFUWXYVYGSQ-SNVBAGLBSA-N 377.357 -0.222 5 10 GBBE O=C(N1CCNCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 599101475 KMUOQKRITUTTQP-UHFFFAOYSA-N 383.430 -0.074 5 10 GBBE NC(=O)CN1CCN(CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC1=O 840159388 DFQDLSGNEZOZRM-INIZCTEOSA-N 377.357 -0.881 5 10 GBBE O=C(N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@]1(O)CCOC1 413034895 NIYZATMWIXERBQ-OAHLLOKOSA-N 385.398 -0.421 5 10 GBBE Nc1cc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc(CO)c1[N+](=O)[O-] 587313184 BMQUBDVQRSTJQB-UHFFFAOYSA-N 377.401 -0.060 5 10 GBBE CN(C)CCN1CCN(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1=O 593234829 LCDGJJRTCUWXMX-UHFFFAOYSA-N 391.384 -0.265 5 10 GBBE Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)c1C 599501268 JRQJZGNJBXIUMN-UHFFFAOYSA-N 392.459 -0.019 5 10 GBBE O=C1NC(=O)[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]12 1556693855 HGBCDUGJJVRNQL-AEJSXWLSSA-N 392.393 -0.008 5 10 GBBE CN(CC(=O)N1CCNCC1)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 564893300 AMLVWVKIISVLQP-UHFFFAOYSA-N 391.428 -0.065 5 10 GBBE CN(C1CC1)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609898963 VPMCPJALEJZIDX-UHFFFAOYSA-N 378.432 -0.198 5 10 GBBE COC(=O)[C@]1(N2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCOC1 1118886543 FBBGFNBBFQDURX-HOCLYGCPSA-N 383.405 -0.898 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)cc1[N+](=O)[O-] 1642839464 HKAXAHCGWOIEOR-PHIMTYICSA-N 390.352 -0.594 5 10 GBBE O=C(O)[C@H]1C[C@H](O)CN1C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866340350 QXRRZMJWIGNDBD-GZMMTYOYSA-N 377.309 -0.373 5 10 GBBE CN1C(=O)[C@@H]2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@H]2C1=O 1890110370 JSNSDWAPVXZRBZ-NXEZZACHSA-N 386.320 -0.736 5 10 GBBE NC(=O)[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])c(I)c1 2184140627 KZQUKDIOVMDKKE-VIFPVBQESA-N 390.137 -0.011 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 427858902 UMCMSQMRJVLQJJ-GFCCVEGCSA-N 380.405 -0.526 5 10 GBBE NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1292521936 MQWSMYJWBLFYJC-CYBMUJFWSA-N 377.401 -0.303 5 10 GBBE CS(=O)(=O)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)COC1 1617132138 GGMFKABJRPGGGX-UHFFFAOYSA-N 399.425 -0.025 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCN(C)C)c1 1861344614 IYSVPBOPYJFREC-XHDPSFHLSA-N 380.401 -0.143 5 10 GBBE COC(=O)[C@@](C)(O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 583522908 DCWKOWPDDPBZDB-HNNXBMFYSA-N 387.414 -0.175 5 10 GBBE CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593529088 UYTWFNJXDFYUTA-SNVBAGLBSA-N 378.432 -0.060 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)c([N+](=O)[O-])c1 1597553855 DTIBAHFDCFMEIT-INIZCTEOSA-N 399.425 -0.483 5 10 GBBE CN1CCN(S(=O)(=O)c2ccc(N3CC(=O)N(C)C3)c([N+](=O)[O-])c2)CC1 498875141 SFHIMWZCTQUXIF-UHFFFAOYSA-N 383.430 -0.233 5 10 GBBE CC(=O)N1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3S2(=O)=O)CC1 1652036617 VRMQDQYJLJYOQE-UHFFFAOYSA-N 396.381 -0.570 5 10 GBBE COCCO[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1331341428 XNWXEMONQSUOBH-WDEREUQCSA-N 378.407 -0.637 5 10 GBBE COC[C@@]1(CO)CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1636853131 WCFYGLGHDZBRQW-HNNXBMFYSA-N 387.414 -0.270 5 10 GBBE CC(=O)NCCN1C(=O)C(NC[C@@H](C)O)=C(c2ccccc2[N+](=O)[O-])C1=O 1863592032 PVGLEFFNEMXOTA-SNVBAGLBSA-N 376.369 -0.219 5 10 GBBE C[C@@H](O)[C@H](NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1865770026 IWFJKZDNIDTOLD-OQPBUACISA-N 379.325 -0.079 5 10 GBBE NCCCC[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1866024001 MAHNGOMNUWPAMH-JTQLQIEISA-N 378.341 -0.111 5 10 GBBE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 1556604093 WBXUDPUBXXNNIQ-CYBMUJFWSA-N 388.384 -0.089 5 10 GBBE O=C(O)CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CS(=O)(=O)C[C@@H]1O 1866369653 LSQSHPNWFSUIBS-ZJUUUORDSA-N 392.773 -0.067 5 10 GBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2COC(=O)N2)CC1 283026822 QTPYIWUXQHTLJH-GFCCVEGCSA-N 398.397 -0.155 5 10 GBBE COc1cc(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1[N+](=O)[O-] 492973318 QURRVRIOPQMBML-GJZGRUSLSA-N 385.442 -0.121 5 10 GBBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2C[C@H](O)C[C@H]2C1 594393395 LTWRQGCAHLFAAJ-UONOGXRCSA-N 398.441 -0.459 5 10 GBBE Cn1cnnc1N1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 1332962813 ICBMZLIBKDMVAS-UHFFFAOYSA-N 399.411 -0.043 5 10 GBBE CN1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](CO)C1 1557712404 YQTANQCYPAZKKQ-ZDUSSCGKSA-N 386.430 -0.650 5 10 GBBE O=C1CO[C@@H]2CCN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C[C@H]2N1 1583220255 DOUWBEJWLLBVLH-CHWSQXEVSA-N 388.336 -0.693 5 10 GBBE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2 1640300138 YSLOSUDWOIGOCF-KBPBESRZSA-N 391.428 -0.044 5 10 GBBE NC(=O)CC[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCO 2330592669 XFYIQDVBVRFGOE-CQSZACIVSA-N 378.385 -0.143 5 10 GBBE C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 470378852 GPBOOMBDMXJMBE-YPMHNXCESA-N 387.414 -0.129 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 520332617 NQSGLSBCJDIYFF-GFCCVEGCSA-N 378.385 -0.001 5 10 GBBE CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CO)(CO)C1 853895911 TWSUVCZLAUOBQW-UHFFFAOYSA-N 375.403 -0.042 5 10 GBBE O=C(C(=O)N1CC[C@@](O)(C(F)F)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1327274926 HBBOJVAIENVQQH-INIZCTEOSA-N 399.354 -0.133 5 10 GBBE CN1CCN(S(=O)(=O)c2ccc(N3CC(O)(CO)C3)c([N+](=O)[O-])c2)CC1 570985250 GVESLPBPDJCHLE-UHFFFAOYSA-N 386.430 -0.926 5 10 GBBE CN1CCN(C)[C@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1293352685 YCERTVGUHRKTEW-GFCCVEGCSA-N 385.446 -0.765 5 10 GBBE CN(C)CCN1CCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1=O 1329675208 FCZWYMVUKJIPSU-UHFFFAOYSA-N 391.428 -0.214 5 10 GBBE CNC(=O)C1(C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1452188188 FOYJRXIVVCBOHA-UHFFFAOYSA-N 384.414 -0.142 5 10 GBBE C[C@H](O)[C@@H](NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1865770025 IWFJKZDNIDTOLD-ISVAXAHUSA-N 379.325 -0.079 5 10 GBBE O=C(O)[C@H]1C[C@@H](O)CN1C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866340353 QXRRZMJWIGNDBD-LDYMZIIASA-N 377.309 -0.373 5 10 GBBE COc1ccc(C(=O)Nc2nc(N(CCO)CCO)nn2C)cc1[N+](=O)[O-] 1869957515 VYCRGMOBLXXASN-UHFFFAOYSA-N 380.361 -0.225 5 10 GBBE C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 414566289 DLRIEPWUKKWTTG-CZUORRHYSA-N 392.412 -0.148 5 10 GBBE O=C(NC[C@]12COCCN1C(=O)COC2)c1cc2c(cc1[N+](=O)[O-])OCO2 1535538488 SZACCIHZRTTXFB-MRXNPFEDSA-N 379.325 -0.319 5 10 GBBE COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2CCOC[C@]2(CO)C1 1620618755 MTEYTNXNVBQJFU-QGZVFWFLSA-N 380.401 -0.079 5 10 GBBE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 1656388056 BVBFCEKYGZVHNH-CYBMUJFWSA-N 380.357 -0.143 5 10 GBBE O=C(O)[C@H]1O[C@@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)[C@@H](O)[C@H](O)[C@H]1O 2037545197 GAWFFHQPERAPGH-KCYAQADSSA-N 389.316 -0.436 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 599506989 MGBJSLPOSJCXDW-JTQLQIEISA-N 397.406 -0.327 5 10 GBBE C[C@H]1OC(=O)N[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 841376232 QMWOGSSVUGYVHI-MFKMUULPSA-N 398.397 -0.075 5 10 GBBE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1144392653 KPCXICSAWISTGR-UHFFFAOYSA-N 394.384 -0.231 5 10 GBBE CC(=O)NCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1cccc([N+](=O)[O-])c1 1861029767 DASWJZGVDASNIQ-ZDUSSCGKSA-N 379.373 -0.789 5 10 GBBE O=[N+]([O-])C(CO)(CO)/[N+]([O-])=N/CCCNS(=O)(=O)c1ccc(F)cc1 59738144 GJAWFJXWHGREGW-PEZBUJJGSA-N 380.354 -0.586 5 10 GBBE CNS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 599523789 GKFYNJGPDFKERB-JTQLQIEISA-N 378.432 -0.060 5 10 GBBE O=C(Cn1ncc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 863374362 OBFOHDYHPKIXKK-UHFFFAOYSA-N 394.413 -0.140 5 10 GBBE O=C1OC[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 863762191 JXWSBFPIHZQINA-ZWNOBZJWSA-N 383.382 -0.105 5 10 GBBE COC(=O)[C@]1(N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CCOC1 1118883199 ZQSWHBHIYNXXLQ-INIZCTEOSA-N 381.389 -0.342 5 10 GBBE O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCN2[C@H](CNS2(=O)=O)C1 1472030995 CEONLMAPBZMJDN-LLVKDONJSA-N 392.397 -0.245 5 10 GBBE C[C@@H](O)CNC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861124462 QAYKPIIBHUHHDI-MKOLQDEYSA-N 378.385 -0.145 5 10 GBBE NC(=O)CC[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026207 NYEPTZGUGRKWGI-SNVBAGLBSA-N 378.297 -0.974 5 10 GBBE COCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871642138 QFDLDZXQHZACDK-UHFFFAOYSA-N 375.389 -0.085 5 10 GBBE CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 366707843 DPXCFXVOCQVQTQ-JTQLQIEISA-N 379.416 -0.084 5 10 GBBE O=C(N[C@@H]1CCNC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 418387685 RNRFMEPIRGHCEL-GFCCVEGCSA-N 383.430 -0.027 5 10 GBBE O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN2[C@H](CNS2(=O)=O)C1 1472884412 BKHNXEZPCJIUSL-GFCCVEGCSA-N 381.414 -0.174 5 10 GBBE Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCCNC=O)ccc1[N+](=O)[O-] 1861818973 CLWCYGBANCYLIX-UKRRQHHQSA-N 378.385 -0.269 5 10 GBBE O=C(O)CC[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026016 IYDXMADKFVCEBX-JTQLQIEISA-N 379.281 -0.375 5 10 GBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 265275003 GXTVBQYUDYWKLM-VIFPVBQESA-N 379.416 -0.084 5 10 GBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1C[C@@H](O)C[C@@H](O)C1 610588178 JIYZFIQRVZLOQA-TXEJJXNPSA-N 387.414 -0.452 5 10 GBBE CS(=O)(=O)c1cc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)cc([N+](=O)[O-])c1 1472062450 IPYUBWDWWLZJDH-INIZCTEOSA-N 399.425 -0.483 5 10 GBBE CN(CC1(CO)CC1)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 410561541 XEAJLROTXFUIOO-UHFFFAOYSA-N 377.401 -0.131 5 10 GBBE CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 542914426 AEEPUFUVJOSRKK-JQWIXIFHSA-N 380.357 -0.234 5 10 GBBE O=C(O)C[C@H](NC(=S)NCCNC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 585859091 RLPXYDHOBHREOZ-JTQLQIEISA-N 398.397 -0.355 5 10 GBBE COc1cc(OCC(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)ccc1[N+](=O)[O-] 1588110753 GBXRABCHONJKGW-FIXIBIHLSA-N 389.320 -0.048 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCNC(C)=O)c1 1861345111 RCPKGUXEGQWOGU-IAQYHMDHSA-N 394.384 -0.569 5 10 GBBE COC(=O)[C@](C)(O)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420971679 IRYDCLKKVVPBJR-CQSZACIVSA-N 375.403 -0.271 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(O)(CN3CCOCC3)CC2)nc1 593574885 ZSWXZFURPVYHSS-UHFFFAOYSA-N 386.430 -0.162 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 1136949447 VHWBAJYILJZJEK-CYBMUJFWSA-N 377.401 -0.039 5 10 GBBE CN(C)CCN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 593235665 YTLDGGMKKCEZGH-UHFFFAOYSA-N 391.428 -0.053 5 10 GBBE O=C(CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21)N[C@H](Cc1cnc[nH]1)C(=O)O 31845554 OFVFWVPAADXCKH-LLVKDONJSA-N 389.324 -0.145 5 10 GBBE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O 439922219 PSCRWHBEGPTJTR-YIKOMLBNSA-N 393.352 -0.292 5 10 GBBE CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)NC1=O 596642986 PZVRYBARFLERPT-ZDUSSCGKSA-N 397.413 -0.549 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330587861 XMZCOWUMKMBCFB-JKSUJKDBSA-N 390.396 -0.178 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)CCNC1=O 1643560787 NGFMCTNKVWQOAZ-HNNXBMFYSA-N 384.414 -0.142 5 10 GBBE NC(=O)COc1nonc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1872630302 VQLCLXBHUMIMIT-UHFFFAOYSA-N 390.356 -0.267 5 10 GBBE Cc1c(C(=O)N2CC(CN3CCOCC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 590558133 OJVCAMZRRLYFSG-UHFFFAOYSA-N 398.441 -0.045 5 10 GBBE Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 769677405 GRMQMXBGFVICLC-UHFFFAOYSA-N 377.401 -0.206 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(O)(CN3CCOCC3)CC2)n1 1118814678 GNQUOJXJQRYSDL-UHFFFAOYSA-N 389.434 -0.824 5 10 GBBE NC(=O)C1(N2CCCCC2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1473755166 MKAMWNXFBQYXRR-HNNXBMFYSA-N 380.449 -0.042 5 10 GBBE COC1(OC)CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H]1O 1627281736 XWZBTTOKNPIMBN-GFCCVEGCSA-N 393.352 -0.227 5 10 GBBE C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C 1629591135 PBOBMSURERJOKI-GWCFXTLKSA-N 385.446 -0.394 5 10 GBBE C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCS1(=O)=O 545910999 ZFGKCYABGOLKLE-SNVBAGLBSA-N 383.382 -0.034 5 10 GBBE CN1CCN(C(=O)N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 1464905069 BNEKHISYJMHGPY-UHFFFAOYSA-N 379.421 -0.307 5 10 GBBE O=C(CN1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1)N1CCOCC1 272637862 WXHSMCSXIZJSPH-UHFFFAOYSA-N 378.385 -0.083 5 10 GBBE CNC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867794372 KSTSXDPKXWEAHU-DTWKUNHWSA-N 382.373 -0.019 5 10 GBBE Cc1cc(C(=O)NCC(=O)N[C@@H](CO)CN2CCOCC2)ccc1[N+](=O)[O-] 550117426 VTAOWBMZWDUPBW-CQSZACIVSA-N 380.401 -0.558 5 10 GBBE COc1ccccc1CN(CCO)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1117561850 FSAFVIFMJYNCIM-UHFFFAOYSA-N 391.384 -0.063 5 10 GBBE COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1 1343225628 KLFPMOHSHALGLE-CQSZACIVSA-N 378.385 -0.237 5 10 GBBE O=C(NCCN1CCOCC1)[C@H]1C[C@@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1 1861034835 SYXMMGCTIWSRJN-HZPDHXFCSA-N 392.412 -0.381 5 10 GBBE O=[N+]([O-])c1cc(Cl)cnc1N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 272163683 AZQBUZULVOFMLY-NWDGAFQWSA-N 376.822 -0.077 5 10 GBBE O=[N+]([O-])C(CO)(CO)/[N+]([O-])=N/CCCNS(=O)(=O)c1ccc(Cl)cc1 59738142 RUYJPOOXCHUDOI-PEZBUJJGSA-N 396.809 -0.072 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC2CC2)n1 599228965 JJLCLKVDMRMHFC-SNVBAGLBSA-N 375.432 -0.082 5 10 GBBE O=C1[C@H](N2CCN3[C@H](CNS3(=O)=O)C2)CCN1c1cccc([N+](=O)[O-])c1 1620608621 SYRJATMFBNRTSB-ZIAGYGMSSA-N 381.414 -0.466 5 10 GBBE C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1637342428 IILFPIAXGXEXIE-BXUZGUMPSA-N 377.401 -0.086 5 10 GBBE Cn1ccnc1CN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 543083647 BCAFIENXWVZTIT-CYBMUJFWSA-N 388.384 -0.203 5 10 GBBE C[C@H]1CCNC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 591423591 GEBKFKLPHONVPH-JSGCOSHPSA-N 376.417 -0.247 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCCN1CC2 597625042 OKVQYNBNLOTGSE-CYBMUJFWSA-N 397.457 -0.621 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 599661405 BRLWUSBWWXCEFI-KBPBESRZSA-N 389.430 -0.416 5 10 GBBE CC(C)(C(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1)n1cc([N+](=O)[O-])cn1 1329657850 VBLBQCWEURGVSY-INIZCTEOSA-N 381.389 -0.086 5 10 GBBE COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 1331169312 VVONPWBKBMLVQH-GFCCVEGCSA-N 391.384 -0.340 5 10 GBBE CO[C@]1(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCS(=O)(=O)C1 1527656907 ZKOUDSORPYHRDF-OAHLLOKOSA-N 384.414 -0.158 5 10 GBBE Cn1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)c(=O)n(C)c1=O 1891059483 OMHJNUJNLCQNQK-UHFFFAOYSA-N 377.357 -0.016 5 10 GBBE CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H]([N+](C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 32107386 OJOZAKYSCPTJDN-HHARLNAUSA-N 390.409 -0.224 5 10 GBBE O=C(N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1(n2cnnn2)CCOCC1 597752387 AQVPFIVCTVKTKM-UHFFFAOYSA-N 388.388 -0.169 5 10 GBBE Cn1cc([N+](=O)[O-])c(C(=O)OCCN2CCN(S(=O)(=O)C3CC3)CC2)n1 797263862 UJWZLBDCBPSXLS-UHFFFAOYSA-N 387.418 -0.405 5 10 GBBE O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCN2[C@@H](CNS2(=O)=O)C1 1472030996 CEONLMAPBZMJDN-NSHDSACASA-N 392.397 -0.245 5 10 GBBE CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1=O 593234086 DLGZAPRCCHAJCQ-UHFFFAOYSA-N 398.441 -0.156 5 10 GBBE CN1CC2(CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)OC1=O 817654731 DPSPPPQLKUSSRA-UHFFFAOYSA-N 376.325 -0.017 5 10 GBBE CN(C)CCN1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O 1346255810 GAJYQMMNSXZGHR-UHFFFAOYSA-N 389.412 -0.331 5 10 GBBE O=CNCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861132696 ZMFYZRQOIBWKPK-QDNWOOLPSA-N 390.396 -0.178 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 503472067 CDVPSJPSZSQMBB-AWEZNQCLSA-N 398.441 -0.206 5 10 GBBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H]2COC[C@@H](C1)O2 514224903 ISMWSEJVUYGCIH-BETUJISGSA-N 385.398 -0.111 5 10 GBBE O=C1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C2(CN1)COC2 1132853793 JTTMOHCYEHQJPJ-UHFFFAOYSA-N 376.369 -0.168 5 10 GBBE O=C(CCc1nnc(=NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1O)NCCO 1860905619 DOYGCRSDRJILAV-UHFFFAOYSA-N 376.329 -0.799 5 10 GBBE CC(=O)NCCNC(=O)CCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1468736685 JQFGATVJANCLIQ-UHFFFAOYSA-N 392.416 -0.329 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCCN(CCN2CCOCC2)C1 1471538600 PJVSVKVRXYUVDD-HNNXBMFYSA-N 393.444 -0.331 5 10 GBBE O=C1CO[C@@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C[C@H]2N1 1527675396 NHLSZAHTVXSOKD-DGCLKSJQSA-N 390.352 -0.564 5 10 GBBE Cc1cc(=O)c(C(=O)N2CC(=O)NCC23COC3)nn1-c1ccccc1[N+](=O)[O-] 1537060009 UZTOITZJFZLEIN-UHFFFAOYSA-N 399.363 -0.210 5 10 GBBE C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C 1629591137 PBOBMSURERJOKI-MFKMUULPSA-N 385.446 -0.394 5 10 GBBE CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 1651361699 NXQHFTCKFANRIG-UHFFFAOYSA-N 388.384 -0.226 5 10 GBBE Cc1c(C(=O)N[C@H](CC(N)=O)C(=O)NCCc2cnc[nH]2)cccc1[N+](=O)[O-] 1861010619 MPFMCQUKBLDZEF-CYBMUJFWSA-N 388.384 -0.041 5 10 GBBE COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593526861 YSDVMRWLAYDIFT-NSHDSACASA-N 379.416 -0.186 5 10 GBBE CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)NC1=O 596642985 PZVRYBARFLERPT-CYBMUJFWSA-N 397.413 -0.549 5 10 GBBE COc1cc(OCC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)ccc1[N+](=O)[O-] 1652500981 NMHNJBWKAXEWDG-SNVBAGLBSA-N 386.386 -0.657 5 10 GBBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(CCO)CC1 1859460840 FEJUWTRHVSRYKM-UHFFFAOYSA-N 376.369 -0.283 5 10 GBBE O=C(C(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1)N1CCOCC1 535430880 GQCNUQXQJBRKQD-UHFFFAOYSA-N 389.372 -0.855 5 10 GBBE CNC(=O)[C@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 809840799 ZYBUKDMFVJIZAG-MRVPVSSYSA-N 382.192 -0.258 5 10 GBBE O=C1NCC2(CN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])C2)O1 1472812151 ZVYBQAUHWZLYTQ-UHFFFAOYSA-N 398.397 -0.086 5 10 GBBE CNC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 422090868 BIEGIVXGFJMCHS-CYBMUJFWSA-N 389.412 -0.162 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 517690827 PZPQGDBXJXPZBN-LBPRGKRZSA-N 384.414 -0.081 5 10 GBBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CC(O)C3)nc(=NCCO)[nH]2)ccc1Cl 1871577825 CBBKRXWHWMBODK-UHFFFAOYSA-N 381.780 -0.394 5 10 GBBE COc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCCO)[nH]2)cc1[N+](=O)[O-] 1871708632 UVQWVBFZXUGBEP-UHFFFAOYSA-N 379.377 -0.792 5 10 GBBE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 469919858 XWWJZFJKVWCNEO-GHMZBOCLSA-N 388.450 -0.023 5 10 GBBE COCCN1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 1296908193 GIQIZZXGQZMCGY-UHFFFAOYSA-N 386.386 -0.852 5 10 GBBE COc1cc(OCC(=O)NC[C@]23COCCN2C(=O)COC3)ccc1[N+](=O)[O-] 1462243090 UAZHVYDMGFWEPQ-QGZVFWFLSA-N 395.368 -0.274 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2CCOC[C@@H]2C1 1633714136 ASDYNTLUGCTBHM-LBPRGKRZSA-N 384.414 -0.584 5 10 GBBE O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 534509590 KDFHGKJJBOWILE-LBPRGKRZSA-N 396.425 -0.034 5 10 GBBE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cccc([N+](=O)[O-])c1 598909934 OZBVUSXSGXARKL-RYUDHWBXSA-N 376.325 -0.097 5 10 GBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 599507689 POYXBRRYWZJURV-LBPRGKRZSA-N 393.443 -0.158 5 10 GBBE CNS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 599523790 GKFYNJGPDFKERB-SNVBAGLBSA-N 378.432 -0.060 5 10 GBBE Cn1ccnc1C1(O)CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1558088686 DAGKWDABJBXJFP-UHFFFAOYSA-N 385.336 -0.346 5 10 GBBE O=C(CCN1CCN2[C@H](CNS2(=O)=O)C1)Nc1cc([N+](=O)[O-])ccc1F 1648411953 FYHVISHGWPDKPI-LLVKDONJSA-N 387.393 -0.103 5 10 GBBE Cn1cc(C(=O)N2CCC(n3cc(CCO)nn3)CC2)cc([N+](=O)[O-])c1=O 1891790999 UHHONJNOYDKNHU-UHFFFAOYSA-N 376.373 -0.103 5 10 GBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OC[C@@H]1CNCCO1 594699111 QHZVTPHLEPEBGK-LBPRGKRZSA-N 387.414 -0.017 5 10 GBBE CN(CC(=O)NC[C@H](O)[C@@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 600237030 DUTRTSYTMIRYOD-KBPBESRZSA-N 387.414 -0.129 5 10 GBBE O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@]12COCCN1C(=O)COC2 1313169448 WYSLATUDLMHBBC-KRWDZBQOSA-N 393.400 -0.066 5 10 GBBE Cc1nn(CCC(=O)NC[C@@]23COCCN2C(=O)COC3)c(C)c1[N+](=O)[O-] 1462233503 DYHRCRMHPNTXHO-INIZCTEOSA-N 381.389 -0.458 5 10 GBBE N[C@H](CCCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1866023774 GVIZJZMHWSLXAY-SNVBAGLBSA-N 378.341 -0.111 5 10 GBBE O=CNCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1ccccc1[N+](=O)[O-] 2330663863 FWSAXHJLPCMPIH-ZBFHGGJFSA-N 390.396 -0.178 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CCN(CCO)[C@H](C)C2)cc1[N+](=O)[O-] 428527453 XFGZQJIWNJRYRQ-GFCCVEGCSA-N 380.401 -0.142 5 10 GBBE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1334167133 RIVWZWZPXFBITI-NSHDSACASA-N 381.393 -0.878 5 10 GBBE CC(=O)NCCN1C(=O)C(NC[C@H](C)O)=C(c2ccccc2[N+](=O)[O-])C1=O 1863592031 PVGLEFFNEMXOTA-JTQLQIEISA-N 376.369 -0.219 5 10 GBBE O=C(O)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CS(=O)(=O)C[C@H]1O 1866328246 IFEJIIXYISUMAN-WDEREUQCSA-N 392.773 -0.067 5 10 GBBE O=C1CO[C@@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@H]2N1 374023555 BIPLTLHFMUNSLU-ZYHUDNBSSA-N 388.336 -0.693 5 10 GBBE O=C(C(=O)N1CC(F)(F)C[C@@H]1CO)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1117911966 ITEUTWNBWMDANP-LLVKDONJSA-N 399.354 -0.133 5 10 GBBE Cc1ccn(-c2ccc(=NCCNC(=O)c3cc([N+](=O)[O-])c(=O)n(C)c3)[nH]n2)n1 1891200096 FMTLMSBJQYYKTG-UHFFFAOYSA-N 398.383 -0.159 5 10 GBBE Cn1cc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cc([N+](=O)[O-])c1=O 1892262069 MSZVLANIXGGFKX-UHFFFAOYSA-N 399.429 -0.608 5 10 GBBE O=C(O)CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CS(=O)(=O)C[C@@H]1O 1866332687 MVHZVEOLSIGUTN-MNOVXSKESA-N 392.773 -0.067 5 10 GBBE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 2358561104 JQSVATDGWDTPPM-LOWVWBTDSA-N 385.377 -0.751 5 10 GBBE Cc1[nH]c(=N)[nH]c(=NC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 2358562798 LWTCRJAJRZUFPB-ATZCPNFKSA-N 384.393 -0.719 5 10 GBBE N[C@H]1C[C@H]2CC[C@H]1N(C(=O)C(=O)N1CCN(c3ccc([N+](=O)[O-])nc3)CC1)C2 852930941 ZPRITVZQBMBAIO-VHDGCEQUSA-N 388.428 -0.023 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c([N+](=O)[O-])c1 1528082000 WVEPLUBWQWCFMO-DGCLKSJQSA-N 383.382 -0.272 5 10 GBBE NC(=O)[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ccc(N)c([N+](=O)[O-])n2)C1 2173843581 DJAWFWLTUSQGMA-RNFRBKRXSA-N 376.295 -0.069 5 10 GBBE NC(=O)N[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 270672128 LQVOAQJPOKOHNV-CYBMUJFWSA-N 376.417 -0.014 5 10 GBBE COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] 416388490 LGUQKAARFPVKMF-NSHDSACASA-N 386.430 -0.095 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCS(=O)(=O)N2CCSCC2)n1 427462418 LSAFOUXPFJCPCE-UHFFFAOYSA-N 377.448 -0.080 5 10 GBBE O=C1NCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 596641735 BDCUQBADEFEEKW-CYBMUJFWSA-N 382.398 -0.436 5 10 GBBE Cc1c(C(=O)NC[C@H]2CN3CCCN2CC3)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 590541644 IDMVIWBBCOMONF-LBPRGKRZSA-N 397.457 -0.330 5 10 GBBE CCO[C@@H]1CN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@H]1CN 593783627 BNXXRRWVIWVNFJ-TZMCWYRMSA-N 394.432 -0.223 5 10 GBBE O=C1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1 1117918546 AWMXCNKJNATGMZ-UHFFFAOYSA-N 375.385 -0.408 5 10 GBBE CN1C(=O)[C@@H]2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@@H]2C1=O 1462221522 JSNSDWAPVXZRBZ-AOOOYVTPSA-N 386.320 -0.736 5 10 GBBE CN1CCO[C@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O 1625265273 ATXVCEDRIFXHGA-AWEZNQCLSA-N 376.369 -0.264 5 10 GBBE Cc1ccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1[N+](=O)[O-] 1684586309 NHDQAELOLYTFCX-UHFFFAOYSA-N 388.388 -0.056 5 10 GBBE Cc1c(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCCO)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861792673 DNRNWTOSYHOWET-RISCZKNCSA-N 396.356 -0.115 5 10 GBBE CCc1ccc(N=c2[nH]c(=NC[C@H](C)O)[nH]c(=NC[C@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871463623 FBSCVKMQUAZRQW-QWRGUYRKSA-N 391.432 -0.063 5 10 GBBE CS(=O)(=O)NCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 501196712 IFXSTWUJEQOEIE-UHFFFAOYSA-N 392.459 -0.550 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCNC[C@@H]1C(F)F 566252118 HODWBKOEBLLICP-SNVBAGLBSA-N 378.357 -0.061 5 10 GBBE C[C@H]1CN(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])cnn3C)CC2)C[C@@H](C)O1 1611788636 OCUSPZKUHIPBSL-TXEJJXNPSA-N 388.450 -0.196 5 10 GBBE Cc1nn(C)c(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1[N+](=O)[O-] 1654454711 WMKUHXLDNJVXFV-UHFFFAOYSA-N 385.446 -0.028 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 1861819271 HRVIRXDIYZZUIT-DZGCQCFKSA-N 378.385 -0.269 5 10 GBBE CC(=O)N[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)[C@H](O)[C@H](O)CO 59873383 AZPZEFSKXCBBBD-ZMJPVWNMSA-N 376.749 -0.989 5 10 GBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1C[C@H](O)[C@@H](CO)C1 1307138427 GCSVJPBMYZSTLV-ABAIWWIYSA-N 387.414 -0.595 5 10 GBBE O=C1C[C@@]2(CCN(C(=O)C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C2)CN1 1323374021 QZHPJXODZPEVIO-KRWDZBQOSA-N 376.369 -0.172 5 10 GBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC(NC2COC2)C1 1559288611 LBWRSYGUKBZHMW-UHFFFAOYSA-N 398.441 -0.207 5 10 GBBE Cn1c(C(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)cnc1[N+](=O)[O-] 1891070160 BPWNJHXJBBUQLN-UHFFFAOYSA-N 391.388 -0.876 5 10 GBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1629835911 RVTQBEISYCLQSH-ZDUSSCGKSA-N 380.405 -0.851 5 10 GBBE Cc1c(N=c2[nH]c(N(C)CCO)nc(=NC[C@H](C)O)[nH]2)cccc1[N+](=O)[O-] 1871645197 HGFNGXJXJZJIBB-JTQLQIEISA-N 377.405 -0.103 5 10 GBBE Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] 599505822 AFITXXKWLICVCD-NSHDSACASA-N 393.443 -0.158 5 10 GBBE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 600230704 BTZGRHWBJQWIAV-QGZVFWFLSA-N 380.401 -0.512 5 10 GBBE O=C1NCC[C@H]1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1624023092 LKSVTVZFZBSWPQ-LBPRGKRZSA-N 396.425 -0.046 5 10 GBBE O=CNCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C=Cc1cccc([N+](=O)[O-])c1 2330624160 ZMFYZRQOIBWKPK-HOTGVXAUSA-N 390.396 -0.178 5 10 GBBE C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 414584088 IMRWZBSXNBQAJZ-CZUORRHYSA-N 392.412 -0.148 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 522023908 ANNUUHOBRBCRNF-ZDUSSCGKSA-N 384.414 -0.249 5 10 GBBE CN1C[C@@H](C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 1452199384 ZBRGMKBIIJBQID-NSHDSACASA-N 384.414 -0.190 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCN3CCOC[C@@]3(CO)C2)cc1 1560177765 CQJZIOQFHPDJLO-INIZCTEOSA-N 385.442 -0.253 5 10 GBBE O=CNCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330588337 JSWJNBNPQNLNQP-HZPDHXFCSA-N 390.396 -0.178 5 10 GBBE CN(C)CCN1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1=O 1329811879 ULIWWWFVHIELRK-UHFFFAOYSA-N 391.428 -0.514 5 10 GBBE C[C@H]1COCCN1CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1585413475 OWILRCOQENAORY-LBPRGKRZSA-N 386.430 -0.290 5 10 GBBE O=C(CCc1nnc(=NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1O)NCCCO 1860905504 AWSNTHLHYCXSFY-UHFFFAOYSA-N 390.356 -0.409 5 10 GBBE NC(=O)[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2nccc(N)c2[N+](=O)[O-])C1 2173846841 UKRPUWRAWPEHHQ-RQJHMYQMSA-N 376.295 -0.069 5 10 GBBE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1ncc([N+](=O)[O-])cc1C(N)=O 2280481261 XRINAQAVMXSBGD-UHFFFAOYSA-N 385.377 -0.251 5 10 GBBE CN(C)C(=O)C1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 498330115 OFEGSNSJHPZEEF-UHFFFAOYSA-N 384.414 -0.142 5 10 GBBE O=C(Cc1ccccc1[N+](=O)[O-])NCCCNC(=O)N1CCN(CCO)CC1 585910040 NNVKGYGJTZEESJ-UHFFFAOYSA-N 393.444 -0.037 5 10 GBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NCC[S@](=O)CC(F)(F)F 1118646075 YCDAHRVCMXEBLX-VWLOTQADSA-N 385.324 -0.665 5 10 GBBE O=C1CN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCN1 1136238700 YUGIKVKDKQVJBJ-UHFFFAOYSA-N 381.414 -0.628 5 10 GBBE CN1CC[C@@](C)(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 1627749093 MDFTZKPGIOSRJP-HNNXBMFYSA-N 384.414 -0.142 5 10 GBBE CN1C(=O)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1=O 274699228 UAEVXIOECKIQSH-UHFFFAOYSA-N 398.397 -0.579 5 10 GBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1C[C@@H](O)[C@H](CO)C1 1307138432 GCSVJPBMYZSTLV-XHDPSFHLSA-N 387.414 -0.595 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H](CO)CN1CCCC1 1625505029 IGBYWAXELMNSAJ-LLVKDONJSA-N 376.369 -0.236 5 10 GBBE NC(=O)C[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNC=O 2330596210 GZQMCAZEHLFZPG-CQSZACIVSA-N 391.384 -0.780 5 10 GBBE O=[N+]([O-])C(CO)(CO)/[N+]([O-])=N/CCNS(=O)(=O)c1ccc(Cl)cc1 59738121 GFMJFJIIBSHGRP-SQFISAMPSA-N 382.782 -0.462 5 10 GBBE O=C(NCCN1CCOCC1)[C@@H]1C[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1 1861038002 QLORUJHOJWXGMS-HOTGVXAUSA-N 392.412 -0.381 5 10 GBBE CN(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])c(=O)n(C)c2)nc(N(C)C)n1 1889855811 JOXJCTXVUJPIEY-UHFFFAOYSA-N 376.377 -0.460 5 10 GBBE CN=c1nc(NC(CO)(CO)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c(C)[nH]1 2280451660 UWYIYROSQVTUHJ-UHFFFAOYSA-N 386.409 -0.183 5 10 GBBE O=c1ccc2nc3ccc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)cc3oc-2c1 4521826 QULZFZMEBOATFS-OBVSXPTNSA-N 375.333 -0.529 5 10 GBBE CNC(=O)[C@@]1(C)CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1467587814 NSAFKISIIDGISI-HNNXBMFYSA-N 384.414 -0.142 5 10 GBBE NC(=O)C1(N2CCCCC2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1473755170 MKAMWNXFBQYXRR-OAHLLOKOSA-N 380.449 -0.042 5 10 GBBE Cc1c(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCO)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861795374 WBKPGJZYGBSNDZ-MFKMUULPSA-N 382.329 -0.505 5 10 GBBE COCCN=c1nc(N(C)CCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705998 NLEHOVYFVKOOQX-UHFFFAOYSA-N 393.404 -0.137 5 10 GBBE NC(=O)C[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NCCCNC=O 2330671268 RTIJUCAKYRNDCA-ZDUSSCGKSA-N 391.384 -0.780 5 10 GBBE COc1cc(N2CCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])CC2)ncn1 599276681 AFYDATDRPGUNKY-UHFFFAOYSA-N 383.390 -0.362 5 10 GBBE C[C@@H](O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 498774580 JGKZTHWVIFCEPF-NEPJUHHUSA-N 394.384 -0.156 5 10 GBBE CNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 530775966 ZWWOZFAIKXZBSB-GFCCVEGCSA-N 393.400 -0.317 5 10 GBBE O=C(N[C@@H](CO)CN1CCOCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 591833124 HCPLQKOPBAUWFZ-OLZOCXBDSA-N 396.400 -0.398 5 10 GBBE NC(=O)C[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCNC=O 2330635131 JZKNGEVLXIMLRY-CQSZACIVSA-N 391.384 -0.780 5 10 GBBE O=C(CN1CCOCC1=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 790768896 PXAKVZPYDZXUBN-UHFFFAOYSA-N 377.762 -0.088 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@H](O)[C@H](C)O)cc2[N+](=O)[O-])CC1 1301672663 VTRQWUBBTSSJSH-ZBEGNZNMSA-N 380.401 -0.265 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1 1464336687 XPTHUVIHAKHKES-UHFFFAOYSA-N 389.368 -0.268 5 10 GBBE CCN=c1nc(N2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)c([N+](=O)[O-])c[nH]1 2173742690 REYSLIATOLBKBU-UHFFFAOYSA-N 381.393 -0.193 5 10 GBBE O=[N+]([O-])c1sc(NCCN2CC[C@H](O)C2)nc1NCCN1CC[C@H](O)C1 599199669 PAHLRPZQDGQXSX-RYUDHWBXSA-N 386.478 0.008 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC(NC(=O)N2CCOCC2)CC1 1162640506 OWVCSDHYHSEHKP-UHFFFAOYSA-N 393.400 -0.211 5 10 GBBE O=C1CN(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCN1 1641653810 JUBGTFFQBDDIPM-UHFFFAOYSA-N 375.385 -0.689 5 10 GBBE NC(=O)CN1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1=O 458041961 IEECGBYGYJUGLT-UHFFFAOYSA-N 389.412 -0.033 5 10 GBBE CN(C)C(=O)CCN1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 532115355 GNQZDHXLMVOPQT-UHFFFAOYSA-N 385.446 -0.158 5 10 GBBE CC1(OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CNC1 592477840 HYZMGONGGYFMPI-UHFFFAOYSA-N 398.441 -0.194 5 10 GBBE O=C(C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1)N1CCCC1 593532345 OLJGZHUKRALNDS-UHFFFAOYSA-N 397.413 -0.555 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 599506991 MGBJSLPOSJCXDW-SNVBAGLBSA-N 397.406 -0.327 5 10 GBBE C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1544468335 IRFSVSCKUUIMGQ-DOMZBBRYSA-N 397.457 -0.622 5 10 GBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 273545802 LXZBKMWSDHWGGE-JTQLQIEISA-N 384.370 -0.221 5 10 GBBE CNC(=O)[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1626931943 HYGZSQWPILGGBU-LLVKDONJSA-N 384.414 -0.142 5 10 GBBE NC(=O)[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ncnc(N)c2[N+](=O)[O-])C1 2173806078 MXMHNLYKLZZXCY-RITPCOANSA-N 377.283 -0.674 5 10 GBBE O=C(C(=O)N1CC[C@H](O)C(F)(F)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1346993939 YCUDZYWNBWYCMG-LBPRGKRZSA-N 399.354 -0.133 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCN1CCC(O)CC1 1627744824 VUCMCFOJMHJJSS-UHFFFAOYSA-N 378.385 -0.107 5 10 GBBE CCN1CCN(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 468055507 TXPAUTYISGSDQE-UHFFFAOYSA-N 399.473 -0.373 5 10 GBBE Cc1c(C(=O)N2CCN3CCOC[C@@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 543612227 RRWUUWPDBDEAPI-NSHDSACASA-N 384.414 -0.293 5 10 GBBE CN(C)S(=O)(=O)N1CC(N2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)C1 600698520 CEOUAFCVJRBDLG-HNNXBMFYSA-N 397.413 -0.148 5 10 GBBE COC[C@H](CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)OC 1328252074 WDALJSBXHUOPKR-ZDUSSCGKSA-N 395.416 -0.194 5 10 GBBE CN(CC(=O)N1C[C@H]2COC(=O)[C@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1587524341 XXURDIPVYRUJKC-GWCFXTLKSA-N 383.382 -0.153 5 10 GBBE COc1ccc(S(=O)(=O)N2CCN([C@H]3CCNC3=O)CC2)cc1[N+](=O)[O-] 269278441 NRNLBEMUHDFMFS-LBPRGKRZSA-N 384.414 -0.202 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1320380034 AYKPXEZKXFHOCO-ZIAGYGMSSA-N 384.414 -0.786 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)N2CCC(=O)NCC23COC3)cc1[N+](=O)[O-] 1598149220 UBBKYQUFZBVENH-UHFFFAOYSA-N 383.382 -0.271 5 10 GBBE CN(C)C(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 10080682 FAQMKGHGWFBSRM-UHFFFAOYSA-N 399.429 -0.301 5 10 GBBE Cc1nn(C)c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 512582133 LBMFCHMGLJKZAF-UHFFFAOYSA-N 380.405 -0.747 5 10 GBBE COCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599218529 VSKVAVDIBSVPNB-GHMZBOCLSA-N 389.434 -0.120 5 10 GBBE COC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1542165381 ZXIMUOUDTOEXIE-UHFFFAOYSA-N 386.386 -0.216 5 10 GBBE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 540125401 NTVDESOWYNQZJR-GFCCVEGCSA-N 382.421 -0.373 5 10 GBBE CN(C)S(=O)(=O)C[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F 806123452 OSBONIYOSHUMLD-ZCFIWIBFSA-N 375.285 -0.448 5 10 GBBE COc1ccc(NC(=O)[C@H](CO)NC(=O)CCS(C)(=O)=O)cc1[N+](=O)[O-] 1867022811 QRIINJCEMQJJOE-JTQLQIEISA-N 389.386 -0.546 5 10 GBBE O=C(COc1nonc1CC(=O)N1CC(O)C1)Nc1cccc([N+](=O)[O-])c1 1872637041 CQTHCRXJKNXKCE-UHFFFAOYSA-N 377.313 -0.259 5 10 GBBE COC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 264759261 HZWDTATWIYWMCK-LBPRGKRZSA-N 389.430 -0.083 5 10 GBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 1331341070 WEMLHLVLFSJIPF-QWHCGFSZSA-N 386.478 -0.025 5 10 GBBE CN1CCN(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3O)CC2)CC1 1457618774 AGJVLEUWPSGYHH-UHFFFAOYSA-N 378.389 -0.179 5 10 GBBE CC(=O)NCCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1cccc([N+](=O)[O-])c1C 1861009607 BWPWRVFDYZHRGL-CYBMUJFWSA-N 393.400 -0.481 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1C 1861012265 DQSFYKYQXLBJGX-SWLSCSKDSA-N 378.385 -0.269 5 10 GBBE O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 31248224 SLPQWUVROLOBJW-UHFFFAOYSA-N 398.441 -0.142 5 10 GBBE O=C(CN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)N1CCOCC1 548735204 TVXXKZCLSMLFQG-UHFFFAOYSA-N 378.385 -0.083 5 10 GBBE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 1634613458 IJKCKWPGHZUKLA-WZRBSPASSA-N 396.425 -0.001 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1(N2CCOCC2)CCOCC1 1535356149 JRNNUYMFKSFVEM-UHFFFAOYSA-N 380.401 -0.246 5 10 GBBE COc1ccc(C(=O)NCC(=O)N[C@H](CO)CN2CCCC2)cc1[N+](=O)[O-] 1625506174 XWVMULDCABSLSZ-ZDUSSCGKSA-N 380.401 -0.094 5 10 GBBE COC(=O)CNC(=O)CCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1868046248 OOVKJBRJSTWYSA-UHFFFAOYSA-N 394.384 -0.160 5 10 GBBE CN(CC(=O)N1CCOC2(CNC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 596108227 ZPONZNDNQLWILD-UHFFFAOYSA-N 384.414 -0.584 5 10 GBBE Cc1[nH]c(=N)[nH]c(=NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] 2173943995 BQQGJZACGIPCOL-UHFFFAOYSA-N 381.393 -0.338 5 10 GBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 273545805 LXZBKMWSDHWGGE-SNVBAGLBSA-N 384.370 -0.221 5 10 GBBE O=C(C(=O)N1C[C@H]2COC[C@@H](C1)O2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1348410087 BOSDSWGCNRGOIU-GASCZTMLSA-N 377.353 -0.189 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CN1CCOCC1 1630904114 AENZPCLKZAEJCW-UHFFFAOYSA-N 386.430 -0.336 5 10 GBBE O=CNCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861133295 FWSAXHJLPCMPIH-LREFGLRZSA-N 390.396 -0.178 5 10 GBBE O=C(C(=O)N1CCC2(COC2)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 595188971 MKLWCOCMBQEASY-UHFFFAOYSA-N 375.385 -0.113 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC(S(=O)(=O)NC2CCCC2)C1 365274599 BBRDLMCMPNUOLI-UHFFFAOYSA-N 384.414 -0.171 5 10 GBBE C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 414601852 TYJNBETUGSSIJK-JSGCOSHPSA-N 393.400 -0.753 5 10 GBBE O=[N+]([O-])C(CO)(CO)[N+](=O)NCCCNS(=O)(=O)c1ccc(Cl)cc1 585139315 YSYFWJBBGDWLGZ-UHFFFAOYSA-N 397.817 -0.751 5 10 GBBE CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 278518062 SBTJPAHNKBTATM-UHFFFAOYSA-N 386.372 -0.062 5 10 GBBE O=C(N[C@@H]1CCCCNC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 561256731 FCEYGXKKKJTBGY-CYBMUJFWSA-N 376.417 -0.103 5 10 GBBE O=C1N[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 858137025 DEFPVUXLIKUXAH-ZDUSSCGKSA-N 398.397 -0.074 5 10 GBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCCCN1CCN(c2ncccn2)CC1 609177162 UXBMVQBRDRCDBD-UHFFFAOYSA-N 389.420 -0.305 5 10 GBBE O=C1OC[C@H]2CN(C(=O)C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)C[C@@H]12 1328893974 WYXACNGEKPIZPH-ZYHUDNBSSA-N 377.357 -0.414 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCN1CCC(O)CC1 1635687296 BLIAVODRMNRIDC-UHFFFAOYSA-N 376.369 -0.236 5 10 GBBE CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867848594 ZZGKIXBLTQAYBX-WCBMZHEXSA-N 397.344 -0.847 5 10 GBBE Cc1[nH]c(=NC[C@H]2COCCN2C)[nH]c(=NC[C@@H]2COCCN2C)c1[N+](=O)[O-] 599160057 CQFJBRSGNBLKFA-KGLIPLIRSA-N 395.464 -0.978 5 10 GBBE CN1CCN(C(=O)C2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)CC1 1625599135 IGMIEHDJMKSSCC-UHFFFAOYSA-N 391.428 -0.231 5 10 GBBE CN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 296012296 TXTFDZAVLYJEEI-OCCSQVGLSA-N 398.441 -0.195 5 10 GBBE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 505390411 VHHKMRWOYVYYBK-GFCCVEGCSA-N 379.421 -0.222 5 10 GBBE COc1cc(C(=O)NCCNC(=S)N[C@H](CO)C(=O)O)ccc1[N+](=O)[O-] 585856813 DBVMSRORDIUIPV-SECBINFHSA-N 386.386 -0.757 5 10 GBBE Cc1[nH]c(=NC[C@H]2COCCN2C)[nH]c(=NC[C@H]2COCCN2C)c1[N+](=O)[O-] 599160056 CQFJBRSGNBLKFA-KBPBESRZSA-N 395.464 -0.978 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1156392334 IOYMFENRABVFPY-GFCCVEGCSA-N 384.414 -0.217 5 10 GBBE O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1326064922 LNSIPPHEZPBIBD-INIZCTEOSA-N 397.409 -0.373 5 10 GBBE C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1633694175 PYMZTFREGBGDNP-SWLSCSKDSA-N 382.442 -0.127 5 10 GBBE CCc1[nH]nc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 264532424 GBTMDMKVYSPJJV-UHFFFAOYSA-N 380.405 -0.503 5 10 GBBE O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CCOC2(CNC2)C1 415897853 SNQJCFBUVICNOV-UHFFFAOYSA-N 392.368 -0.105 5 10 GBBE CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594748909 OWFLDDJJMIRGDF-JTQLQIEISA-N 378.432 -0.060 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861131051 AICPSPASHPGPPE-DOOVEFGSSA-N 390.396 -0.178 5 10 GBBE N=c1[nH]c(N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)ncc1[N+](=O)[O-] 2173845684 LPIQUQYFYANCSW-RITPCOANSA-N 377.283 -0.844 5 10 GBBE Cn1cc([N+](=O)[O-])c(CNC(=O)[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)n1 2358948010 MLTVLQRQWXEVSI-TUAOUCFPSA-N 385.377 -0.714 5 10 GBBE COc1cc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] 268245657 IVCSYTMEZAJYGT-VIFPVBQESA-N 379.416 -0.084 5 10 GBBE C[C@@H]1NC(=O)[C@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C 1631791564 HCGDHUNVUHPNGV-DCAQKATOSA-N 384.414 -0.003 5 10 GBBE NC(=O)c1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 27364130 DHYVLRDZTVGDET-UHFFFAOYSA-N 391.428 -0.330 5 10 GBBE COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)c1nn(C)cc1[N+](=O)[O-] 600014468 DSRUXYVFJOFIEN-PSASIEDQSA-N 385.402 -0.089 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)n1 1143326985 OYEPDUVZGDWFSQ-UONOGXRCSA-N 384.414 -0.474 5 10 GBBE CC(C)C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)NCCN(C)C 534052175 XTVCXUFDYKTLAS-ZDUSSCGKSA-N 381.433 -0.035 5 10 GBBE Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1326712048 MKARPRATGMSNHI-ZDUSSCGKSA-N 377.361 -0.759 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861128656 XMZCOWUMKMBCFB-YOSLTCIPSA-N 390.396 -0.178 5 10 GBBE CC(C)(C)OC(=O)NC(CO)(CO)CNC(=O)c1cc([N+](=O)[O-])cnc1O 2286170854 MDWHLIPWQNICTB-UHFFFAOYSA-N 386.361 -0.327 5 10 GBBE CNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 363686131 DBKPWDIQMLAPFR-UHFFFAOYSA-N 391.428 -0.087 5 10 GBBE C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 470378849 GPBOOMBDMXJMBE-AAEUAGOBSA-N 387.414 -0.129 5 10 GBBE O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 512770482 LMPMJHOBNAIAHG-UHFFFAOYSA-N 388.427 -0.232 5 10 GBBE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 592439912 IKUSVJNOGCMXJB-LLVKDONJSA-N 376.373 -0.715 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] 599185211 NCTNSUKCYMJPBI-QMMMGPOBSA-N 399.472 -0.186 5 10 GBBE CN(C)CCC[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 1350830723 DRHYTXVDGWCPBB-AWEZNQCLSA-N 382.421 -0.523 5 10 GBBE CNS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 599530806 WNAXKBDCCPMWGL-SNVBAGLBSA-N 378.432 -0.060 5 10 GBBE Cn1nnnc1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 772455470 LOEHDTGFWYAMMI-SECBINFHSA-N 377.336 -0.031 5 10 GBBE CN1CCN(C2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)CC1 1156295531 QLIGTCAIGLDOHQ-UHFFFAOYSA-N 387.396 -0.351 5 10 GBBE C[C@H](O)[C@@H](O)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1187182997 RHQIZDSNPJYMFJ-NHYWBVRUSA-N 388.446 -0.316 5 10 GBBE O=C(C[C@@H]1COCCN1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 262231142 QKWVFSLQCZUXRN-CYBMUJFWSA-N 398.441 -0.194 5 10 GBBE Cc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(C)cc1[N+](=O)[O-] 416425112 CDIQJVODWNJDFB-LLVKDONJSA-N 382.398 -0.457 5 10 GBBE O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCOCC1 508340380 REIBNINFCGSUBP-CQSZACIVSA-N 380.401 -0.476 5 10 GBBE CNC(=O)NC[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 599539476 FRGXTGVHEMNDIF-ZDUSSCGKSA-N 386.430 -0.002 5 10 GBBE CN(C)S(=O)(=O)N1CC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 600711228 RWMLZLUSMPGSJU-UHFFFAOYSA-N 386.386 -0.414 5 10 GBBE CNCCOCCN(C)C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1261838845 QBQLYTTWJZNCJJ-UHFFFAOYSA-N 380.401 -0.121 5 10 GBBE O=C(CN1CCN(Cc2cccnc2[N+](=O)[O-])CC1)N[C@@H]1CCS(=O)(=O)C1 1559613157 YQUUAEOEUPCFHJ-CQSZACIVSA-N 397.457 -0.589 5 10 GBBE O=[N+]([O-])c1c(NCCN2CCOCC2)ncnc1NCCN1CCOCC1 19860429 SRJALCJQFMDBMZ-UHFFFAOYSA-N 381.437 -0.127 5 10 GBBE C[C@@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 41239669 ZRVOAFZWFOAMGJ-LLVKDONJSA-N 393.443 -0.076 5 10 GBBE CN(C)C(=O)CCN1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 272892512 JZTTXAMLMPXBRG-UHFFFAOYSA-N 385.446 -0.158 5 10 GBBE CS(=O)(=O)c1ccc(N2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1307216256 XYGRIPUMKOJQPL-SECBINFHSA-N 376.416 -0.663 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1cn(C)c(=O)n1C 1630904772 KZPLHGIIRJAEGR-UHFFFAOYSA-N 397.413 -0.318 5 10 GBBE COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1642839680 LVTHUKLYWITONL-PHIMTYICSA-N 391.336 -0.132 5 10 GBBE NC(=O)C[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NCCCNC=O 2330671267 RTIJUCAKYRNDCA-CYBMUJFWSA-N 391.384 -0.780 5 10 GBBE CN(CC(=O)N1CC[C@]2(CNC(=O)C2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 279021468 VWEXEPJVVGMRSL-INIZCTEOSA-N 396.425 -0.046 5 10 GBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(CC(=O)N2CCOCC2)CC1 299205935 BZYFRQPSJOKVHZ-UHFFFAOYSA-N 380.405 -0.816 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 503472068 CDVPSJPSZSQMBB-CQSZACIVSA-N 398.441 -0.206 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3nccn4nnnc34)CC2)cc1 531379666 RUYUQKYGRKKYRF-UHFFFAOYSA-N 390.385 -0.062 5 10 GBBE CC(C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)NCCN(C)C 534784827 FIHUZPJSARQAEY-AWEZNQCLSA-N 381.433 -0.035 5 10 GBBE C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCNC1=O 1440434592 KDKTUJSOIDQODD-MRXNPFEDSA-N 396.425 -0.046 5 10 GBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@]1(C)CCNC1=O 1451641753 NSEWKLOUVLCKPW-OAHLLOKOSA-N 384.414 -0.142 5 10 GBBE O=C1NC(=O)C2(CN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)N1 1457163315 URRALWXFLHPZMP-UHFFFAOYSA-N 375.341 -0.535 5 10 GBBE C[C@@H](O)CNC(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 1860881981 CPIWFUDYIVOHBH-LLVKDONJSA-N 386.430 -0.213 5 10 GBBE NC(=O)CC[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026206 NYEPTZGUGRKWGI-JTQLQIEISA-N 378.297 -0.974 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H](O)CN1CCOCC1 269760799 CCGNUPSYGUVDEV-ZDUSSCGKSA-N 389.430 -0.083 5 10 GBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 541114342 MPXYRENZPNXBSQ-GJZGRUSLSA-N 399.425 -0.339 5 10 GBBE CC(=O)N1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1136234022 QCJUGBSDOUPZJD-UHFFFAOYSA-N 398.441 -0.108 5 10 GBBE CCON(C)C(=O)CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1326701400 CPXLFTWAJJILDD-UHFFFAOYSA-N 394.388 -0.836 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1440640625 QXVRYXQUKMFXDP-LBPRGKRZSA-N 384.414 -0.912 5 10 GBBE C[C@H]1CN2CCN1C[C@H]2C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1628917682 MTFIIIDFAUUTHN-JSGCOSHPSA-N 397.457 -0.622 5 10 GBBE O=C(NCCN1CCOCC1)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1 1861038001 QLORUJHOJWXGMS-CVEARBPZSA-N 392.412 -0.381 5 10 GBBE CC(C)(C)OC(=O)NCc1cn(CCN=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])nn1 2287095160 WPAUYBRDOWPKFP-UHFFFAOYSA-N 379.381 -0.052 5 10 GBBE CC(C)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 292180481 WSLIJYJGOLBMBR-UHFFFAOYSA-N 384.414 -0.048 5 10 GBBE COc1ccc(C(=O)NCCNC(=S)N[C@@H](CO)C(=O)O)cc1[N+](=O)[O-] 585867584 LXJXJGBTVDNFSC-VIFPVBQESA-N 386.386 -0.757 5 10 GBBE CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 859394480 ALRDFSPQXOGKQF-UHFFFAOYSA-N 382.395 -0.497 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCS(=O)(=O)C[C@@H]2CCO)cc1 1197989872 NRXNMYLBNFXQJQ-ZDUSSCGKSA-N 392.455 -0.150 5 10 GBBE COC[C@](C)(O)C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1630899126 BWEBGTHRJPIYSF-AWEZNQCLSA-N 375.403 -0.271 5 10 GBBE NC(=O)C[C@H](NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1859457148 AYJJIDJHZIXYLJ-NSHDSACASA-N 392.324 -0.584 5 10 GBBE CN(C(=O)CN1CCOC[C@H]1CNS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 599669156 XAFBIENTVVOPPX-CQSZACIVSA-N 386.430 -0.192 5 10 GBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN2[C@@H](CNS2(=O)=O)C1 1156615676 ZXTQUDTUFBHRBL-VIFPVBQESA-N 384.370 -0.660 5 10 GBBE O=CN1CCN(C(=O)[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 1858424566 SQFGLVQPLWYVPW-CYBMUJFWSA-N 396.425 -0.094 5 10 GBBE CN=c1[nH]c(=NC[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)[nH]cc1[N+](=O)[O-] 2233974921 NDFGRUIVUAZINT-FBIMIBRVSA-N 384.393 -0.977 5 10 GBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CN(C)CCN1C 273486655 GRIMPUNPYJODLH-GFCCVEGCSA-N 386.430 -0.095 5 10 GBBE COCCN1CC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1629357429 WLXXAICYVTWHIY-LBPRGKRZSA-N 386.430 -0.290 5 10 GBBE C[C@H](O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 498774582 JGKZTHWVIFCEPF-RYUDHWBXSA-N 394.384 -0.156 5 10 GBBE COCCOCCN1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599341969 GDHHINGAJXSFDP-UHFFFAOYSA-N 377.423 -0.702 5 10 GBBE CS(=O)(=O)c1cc(C(=O)NCC23COCCN2CCOC3)cc([N+](=O)[O-])c1 1301715771 KELAPEJKSWOTBS-UHFFFAOYSA-N 399.425 -0.171 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)nc1 1327296494 HZHDNUULKYQGEU-QWRGUYRKSA-N 377.400 -0.434 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)n1 1610177272 FIIXBCLQUWMGNN-ZIAGYGMSSA-N 384.414 -0.786 5 10 GBBE CC(C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCOCCO 1872615987 LRTAPLRSNRKWPA-UHFFFAOYSA-N 375.403 -0.223 5 10 GBBE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 592880181 PBQZXORTHDOAFQ-LBPRGKRZSA-N 377.401 -0.097 5 10 GBBE CNC(=O)CN1CCC(NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1136144363 QBBIRQICDDZAKV-UHFFFAOYSA-N 398.441 -0.062 5 10 GBBE O=C1[C@@H](N2CCN3[C@@H](CNS3(=O)=O)C2)CCN1c1cccc([N+](=O)[O-])c1 1620608618 SYRJATMFBNRTSB-KBPBESRZSA-N 381.414 -0.466 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861128655 XMZCOWUMKMBCFB-YFWHOBGESA-N 390.396 -0.178 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCS(=O)CC1 518141529 VLPMXABHJNNIHF-UHFFFAOYSA-N 375.428 -0.146 5 10 GBBE C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 571622474 VNHYHRFXADIBNE-GXTWGEPZSA-N 393.400 -0.753 5 10 GBBE CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@]3(O)CCOC3)CC2)c([N+](=O)[O-])c1 1141630447 QPEQEXRJBOJQIH-MRXNPFEDSA-N 399.425 -0.202 5 10 GBBE O=C(NC[C@@]12COCCN1C(=O)COC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 1535336069 OCLLDOXQZAYBED-INIZCTEOSA-N 379.325 -0.319 5 10 GBBE CN(C)C[C@]1(O)CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 1643209011 UXFKOBWUGNZJQA-QGZVFWFLSA-N 379.417 -0.081 5 10 GBBE CN1CCN(c2ccc(C(=O)N[C@@H](CC(N)=O)C(=O)O)cc2[N+](=O)[O-])CC1 1866055745 FTEUBIMBWKEWTQ-NSHDSACASA-N 379.373 -0.595 5 10 GBBE C[C@@H]1CN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC(=O)N1C 410672742 IYHSTAVESQRKHV-LLVKDONJSA-N 378.389 -0.356 5 10 GBBE CCn1cc(S(=O)(=O)N2CCN(CCC(=O)N(C)C)CC2)c([N+](=O)[O-])n1 532854178 DKIVXUDTQSFYLQ-UHFFFAOYSA-N 388.450 -0.404 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN2CCOC[C@H]2C1 542670513 LHNXYWFIWHIKTK-CYBMUJFWSA-N 376.369 -0.137 5 10 GBBE O=C(NC[C@]12COCCN1C(=O)COC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 1532281077 JCHMMXJDUPTNFO-QGZVFWFLSA-N 393.352 -0.276 5 10 GBBE CN1C(=O)[C@@H]2CN(c3ccc(S(=O)(=O)N(C)C)cc3[N+](=O)[O-])C[C@@H]2C1=O 1651337566 SDEPCQBUNQDASD-PHIMTYICSA-N 382.398 -0.104 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 515995915 IKJYDKGIHKVUGU-UHFFFAOYSA-N 389.368 -0.268 5 10 GBBE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 772050721 HKGALXDBJICSGS-GFCCVEGCSA-N 383.405 -0.042 5 10 GBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1627285930 OWMLQRKDFGMLPK-UONOGXRCSA-N 390.352 -0.070 5 10 GBBE N=c1nc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)c([N+](=O)[O-])c[nH]1 2173805727 KZZAUIGHKSMXNT-WDSKDSINSA-N 377.283 -0.844 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 265338115 XRZICPJFIOASIM-SECBINFHSA-N 379.416 -0.084 5 10 GBBE CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599209682 BLYFIPYDEHFWGI-LLVKDONJSA-N 388.450 -0.451 5 10 GBBE O=C(CN1CCN2CCOC[C@]2(CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 1176523116 BPBFLEWUKZZOHH-GOSISDBHSA-N 376.413 -0.137 5 10 GBBE CC(C)(C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)n1cc([N+](=O)[O-])cn1 608810704 HRTQXSNLEUIBNV-UHFFFAOYSA-N 394.432 -0.471 5 10 GBBE O=[N+]([O-])c1cc(Cl)ccc1N=c1nc(N2CC(O)C2)[nH]c(N2CC(O)C2)n1 1871734806 FCVNZLNCWNQVNA-UHFFFAOYSA-N 393.791 -0.040 5 10 GBBE C[C@H]1C(=O)NCCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 375482198 PJYWCGPGBPXFBG-NSHDSACASA-N 384.414 -0.048 5 10 GBBE CCN(OC)C(=O)CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1326188739 WGENKIOCEPYVGZ-UHFFFAOYSA-N 394.388 -0.836 5 10 GBBE CN1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(NC[C@@H]2COCCN2C)n1 599161289 NQFLUWQIXKELQL-ZIAGYGMSSA-N 380.449 0.475 5 10 GBBE CNC(=O)NC[C@H]1COCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1308025854 XUQDXHBCPFGTMT-ZDUSSCGKSA-N 386.430 -0.002 5 10 GBBE COC[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 531259847 DNJJVHPZUDSESD-OAHLLOKOSA-N 387.414 -0.175 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=O)N2CCN(CCO)CC2)c1 585856410 LPYBDGOCHZYZDK-UHFFFAOYSA-N 395.416 -0.347 5 10 GBBE NS(=O)(=O)NC1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 599646886 LZFOVZDUWJNSQC-UHFFFAOYSA-N 383.430 -0.259 5 10 GBBE O=[N+]([O-])c1cc(CO)c(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1F 1650939919 FCLAIYGWOHILHY-LSDHHAIUSA-N 389.405 -0.494 5 10 GBBE CN(C)CCNC(=O)[C@@H](CC(N)=O)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861127659 VSUVUSWJHZRNIF-LHRNQBEKSA-N 377.401 -0.354 5 10 GBBE N=c1[nH]c(N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)ncc1[N+](=O)[O-] 2173845685 LPIQUQYFYANCSW-WDSKDSINSA-N 377.283 -0.844 5 10 GBBE COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(CCS(N)(=O)=O)CC2)c1 589503494 UHFMTSOXOOSBPM-UHFFFAOYSA-N 386.430 -0.213 5 10 GBBE CN(C[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1)S(C)(=O)=O 1449330746 OOXIGGATCYFLOC-GFCCVEGCSA-N 386.430 -0.114 5 10 GBBE CONC(=O)CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1627124892 WJYFJFMFWRHZLY-UHFFFAOYSA-N 379.373 -0.329 5 10 GBBE COc1ccc([N+](=O)[O-])cc1N=c1nc(N(C)CCO)[nH]c(N(C)CCO)n1 1871735159 SRTWTFDCMZDWJB-UHFFFAOYSA-N 393.404 -0.189 5 10 GBBE C[C@H]1OC(=O)N[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 841376233 QMWOGSSVUGYVHI-ZWNOBZJWSA-N 398.397 -0.075 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1[N+](=O)[O-] 1528073667 PTVPSBFHHYSSAR-ZYHUDNBSSA-N 383.382 -0.272 5 10 GBBE O=C(O)CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 1866335778 QWSMJINMVSMERB-LOKFXGJOSA-N 384.366 -0.321 5 10 GBBE C[C@@H](O)[C@H](NC(=S)NCCNC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 585859660 VANYHVKUHGFCAZ-RNCFNFMXSA-N 384.414 -0.448 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCCN1CC2 597625044 OKVQYNBNLOTGSE-ZDUSSCGKSA-N 397.457 -0.621 5 10 GBBE CN(CC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)c1ccccc1[N+](=O)[O-] 600729466 AAISZQKPXBHHJY-GFCCVEGCSA-N 386.430 -0.192 5 10 GBBE CN(C)S(=O)(=O)N1CC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 863548520 YRJCMDKNZHLVMN-UHFFFAOYSA-N 382.402 -0.449 5 10 GBBE COC(=O)[C@@]1(N2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)CCOC1 1118944642 RVTBEKLQWKGCKQ-QGZVFWFLSA-N 394.384 -0.767 5 10 GBBE NC(=O)CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1=O 1161393678 RDNQOMDGQMCBMF-UHFFFAOYSA-N 391.384 -0.799 5 10 GBBE O=C(C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1328787023 NUTMZVXDRJDPGT-BBFKWACYSA-N 392.437 -0.025 5 10 GBBE O=C1NC(=O)C2(CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2)N1 1559045463 GYGNBRYCNFACJG-UHFFFAOYSA-N 375.341 -0.535 5 10 GBBE N[C@H](CCCCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026245 QBHDCKYMKGXEBM-GFCCVEGCSA-N 378.341 -0.111 5 10 GBBE O=[N+]([O-])c1cc(CO)c(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1F 1650939915 FCLAIYGWOHILHY-GJZGRUSLSA-N 389.405 -0.494 5 10 GBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NC[C@H](C)O)cc1[N+](=O)[O-] 1861809972 RYEWCRDQCMHASP-OLXJLDBKSA-N 396.356 -0.116 5 10 GBBE O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@]12CNC[C@H]1COC2 593909708 LNIDSJGMXBGMTO-NHYWBVRUSA-N 384.414 -0.775 5 10 GBBE COC(=O)[C@]1(N2CCN(C(=O)N=c3cc[nH]cc3[N+](=O)[O-])CC2)CCOC1 1329026659 KVYLHHUIUYQQBI-INIZCTEOSA-N 379.373 -0.107 5 10 GBBE C[C@@H](O)CN=c1nc(N2CCOCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520121 ISXPMPOJSAZZFA-LLVKDONJSA-N 375.389 -0.004 5 10 GBBE Cn1ccnc(N2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)c1=O 525307404 VUTOMEVBWALKOZ-UHFFFAOYSA-N 380.386 -0.406 5 10 GBBE NC1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 261937938 XBAHVHIGQIVFOF-UHFFFAOYSA-N 398.441 -0.064 5 10 GBBE CC1(C)NC(=O)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O 514997180 RSXVSCJRTUBJSM-UHFFFAOYSA-N 376.373 -0.031 5 10 GBBE CN(C)CCNS(=O)(=O)c1ccc(N2CC(C)(C(N)=O)C2)c([N+](=O)[O-])c1 591959853 WLGZJETXOZDTHH-UHFFFAOYSA-N 385.446 -0.254 5 10 GBBE O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@]12CNC[C@H]1COC2 593903465 BPCZRJOQBONDCD-NHYWBVRUSA-N 384.414 -0.775 5 10 GBBE CN(C)S(=O)(=O)N1CC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 599501045 HQOLNRLTPSPFPP-UHFFFAOYSA-N 378.432 -0.495 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCCN(CCN2CCOCC2)C1 1471538606 PJVSVKVRXYUVDD-OAHLLOKOSA-N 393.444 -0.331 5 10 GBBE C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C 1565834643 YNWBATKVRCWKEF-GXTWGEPZSA-N 399.473 -0.376 5 10 GBBE Cc1c(N=c2[nH]c(=NC[C@H](C)O)[nH]c(=NC[C@@H](C)O)[nH]2)cccc1[N+](=O)[O-] 1871469167 ZHZMOBMICONRQW-AOOOYVTPSA-N 377.405 -0.317 5 10 GBBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)O[C@H](CO)[C@@H](O)[C@H]1O 110339256 UBBCYDPSFMEFFL-XHJNMGKDSA-N 376.749 -0.429 5 10 GBBE CN(CC(=O)NCC[C@@]1(O)CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 593812005 GIDVSNCIXQNAJU-OAHLLOKOSA-N 387.414 -0.127 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2CCOC[C@H]2C1 1633714127 ASDYNTLUGCTBHM-GFCCVEGCSA-N 384.414 -0.584 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(N[C@@H]2CCOC2)C1 1472080421 QDGDECNOKRWSCK-GFCCVEGCSA-N 398.441 -0.148 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861134780 UWWWXIXQYNLFHK-IXWNZZHASA-N 390.396 -0.178 5 10 GBBE CN(CC(=O)N1CC[C@@]2(CNC(=O)C2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 279021472 VWEXEPJVVGMRSL-MRXNPFEDSA-N 396.425 -0.046 5 10 GBBE O=C(C(=O)N1CC[C@H]2NCC[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423594625 OIFSHNYTNVBSGD-UONOGXRCSA-N 388.428 -0.151 5 10 GBBE Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)c1 599500916 DPMWCNDMSOHEGG-UHFFFAOYSA-N 392.459 -0.019 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 594392724 KDOAUIBOXIMGCU-UONOGXRCSA-N 398.441 -0.459 5 10 GBBE Cc1c(C(=O)NC[C@@H]2CN3CCCN2CC3)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 590541643 IDMVIWBBCOMONF-GFCCVEGCSA-N 397.457 -0.330 5 10 GBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)n1 2358558663 VHNFPSRLHJLYJN-PTOFAABTSA-N 385.377 -0.601 5 10 GBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 374844705 LGHUPQPLJAUCPL-LLVKDONJSA-N 387.418 -0.405 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@@H]2CO1 1442659685 JIZOOQMNXJWVTI-OLZOCXBDSA-N 398.441 -0.148 5 10 GBBE Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] 599501393 NOPQBCPUGAXSOC-UHFFFAOYSA-N 378.432 -0.328 5 10 GBBE CN1CCO[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O 1618245204 DNFAXJGKYMTZIG-AWEZNQCLSA-N 376.369 -0.264 5 10 GBBE CCn1nc(C)c([N+](=O)[O-])c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 479375032 FBPGMMQXMMQDTB-UHFFFAOYSA-N 388.450 -0.181 5 10 GBBE C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1 599963043 WQGUOIXYFRCWLZ-QWHCGFSZSA-N 376.417 -0.105 5 10 GBBE CN(C)S(=O)(=O)N1CC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 1684434474 CSEHFDBCCCDDQL-UHFFFAOYSA-N 386.434 -0.204 5 10 GBBE N[C@H]1C[C@H]2CC[C@H]1N(C(=O)C(=O)N1CCN(c3ncccc3[N+](=O)[O-])CC1)C2 852926137 CRZLBLVVCMKSMK-HZSPNIEDSA-N 388.428 -0.023 5 10 GBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC(CO)(CO)C1 1643182784 KBDGIXOIPIFOIP-UHFFFAOYSA-N 387.414 -0.593 5 10 GBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 265275001 GXTVBQYUDYWKLM-SECBINFHSA-N 379.416 -0.084 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)n1 1351361876 SDEHZGPULVNYPC-UHFFFAOYSA-N 388.406 -0.913 5 10 GBBE CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCOCCO 1872615821 HQPIJWQIKDPDTK-CYBMUJFWSA-N 375.403 -0.223 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1CCN(S(=O)(=O)C2CC2)CC1 1137426913 IXHYTAMOHAXZHK-UHFFFAOYSA-N 384.414 -0.171 5 10 GBBE CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1321266423 AVNMIPNJOMJBOR-UHFFFAOYSA-N 396.376 -0.296 5 10 GBBE Cc1nc2c(n1CCO)CC[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2 1623715854 JALLLKMQTHBTRA-LBPRGKRZSA-N 375.385 -0.073 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1C 1861012263 DQSFYKYQXLBJGX-DOMZBBRYSA-N 378.385 -0.269 5 10 GBBE COCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518252 ALJCHEJAJNCATB-UHFFFAOYSA-N 393.404 -0.784 5 10 GBBE C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 410742438 IBDSZMORHJEMKF-QWHCGFSZSA-N 377.401 -0.132 5 10 GBBE Cc1[nH]c(=NC[C@@H]2COCCN2C)[nH]c(=NC[C@@H]2COCCN2C)c1[N+](=O)[O-] 599160059 CQFJBRSGNBLKFA-ZIAGYGMSSA-N 395.464 -0.978 5 10 GBBE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1118261904 GYAHRZNIZMZPTO-UONOGXRCSA-N 392.412 -0.148 5 10 GBBE O=C(NC[C@@]12COCCN1C(=O)COC2)c1cc([N+](=O)[O-])cc2c1OCCO2 1535537947 JDPLKUCUWVSGIE-KRWDZBQOSA-N 393.352 -0.276 5 10 GBBE NC(=O)c1ccnc(N2CCC(N3CCS(=O)(=O)CC3)CC2)c1[N+](=O)[O-] 1651772758 LVQWXHLGYOLCEV-UHFFFAOYSA-N 383.430 -0.212 5 10 GBBE NC1(CNC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCOCC1 599964563 TZNCZVGCKPTMOU-UHFFFAOYSA-N 391.428 -0.133 5 10 GBBE C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142206259 SHILNVWWJXIJIQ-IUODEOHRSA-N 397.457 -0.622 5 10 GBBE Cn1cncc1[C@@H](CO)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1149213225 OCDLXDXCDGNXAY-LLVKDONJSA-N 375.341 -0.097 5 10 GBBE CN1CCO[C@H](C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1163077004 ANKJTMWQCLLNOI-ZDUSSCGKSA-N 386.430 -0.338 5 10 GBBE NC1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCOCC1 261903731 RYIGLFSMJAQZTB-UHFFFAOYSA-N 398.441 -0.064 5 10 GBBE C[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1CCO 428526079 GSNJNTDCEICVCI-ZDUSSCGKSA-N 379.417 -0.081 5 10 GBBE Cn1cnnc1N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 594386911 ONBPSZGMCNQLES-UHFFFAOYSA-N 399.367 -0.332 5 10 GBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 599506272 FJDGOQFOMQOFNV-LBPRGKRZSA-N 393.443 -0.158 5 10 GBBE COc1ccc(N=c2[nH]c(N(C)C)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871705726 RBIINNLFGLQKFP-UHFFFAOYSA-N 393.404 -0.137 5 10 GBBE O=C(NCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N(CCO)CCO 217306852 OCRDYQNVNLJSHW-UHFFFAOYSA-N 380.357 -0.423 5 10 GBBE O=[N+]([O-])c1cc(N=c2nc(N3CC(O)C3)[nH]c(N3CC(O)C3)n2)ccc1Cl 1871735317 ZVEMATLMXWYJNM-UHFFFAOYSA-N 393.791 -0.040 5 10 GBBE N=c1cc([N+](=O)[O-])cc(N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)[nH]1 2173805373 JLFBXUJLCRSVIP-RNFRBKRXSA-N 376.295 -0.239 5 10 GBBE CN(C)CCNS(=O)(=O)c1ccc(N(C)Cc2nnnn2C)c([N+](=O)[O-])c1 466835088 LVSFZQUYGHZQJL-UHFFFAOYSA-N 398.449 -0.405 5 10 GBBE C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 571622478 VNHYHRFXADIBNE-JSGCOSHPSA-N 393.400 -0.753 5 10 GBBE Cc1nn(CCC(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)c(C)c1[N+](=O)[O-] 1152828871 AIBYWTQTFIPWAZ-FPQZTECRSA-N 375.341 -0.232 5 10 GBBE CNC(=O)CN1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1630168117 FXSRKAZWJKDLOM-UHFFFAOYSA-N 387.400 -0.262 5 10 GBBE O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1638695870 UADGIVVHKVTMJC-INIZCTEOSA-N 399.425 -0.289 5 10 GBBE O=C1NC(=O)C2(CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)N1 1655948285 KJIKLXJNUMYTRU-UHFFFAOYSA-N 376.297 -0.011 5 10 GBBE COc1ccc(CNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] 1118401908 WKVOHXXZNVHZJD-QWHCGFSZSA-N 378.385 -0.503 5 10 GBBE COC(=O)[C@@]1(N2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCOC1 1118886541 FBBGFNBBFQDURX-GOEBONIOSA-N 383.405 -0.898 5 10 GBBE O=C(C(=O)N1C[C@H]2COC[C@@H](C1)O2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1328484407 UQELMAGTKGMYHX-OKILXGFUSA-N 391.384 -0.735 5 10 GBBE Cc1[nH]c(=N)nc(N2CCN(C)C[C@H]2CNC(=O)C(F)(F)F)c1[N+](=O)[O-] 2173975469 NYSMPFHJHYXBEN-MRVPVSSYSA-N 377.327 -0.095 5 10 GBBE CN=c1[nH]c(=NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)[nH]cc1[N+](=O)[O-] 2233974925 NDFGRUIVUAZINT-IEBDPFPHSA-N 384.393 -0.977 5 10 GBBE CN(C)c1cc(F)c(C(=O)NCCC(=O)NS(C)(=O)=O)cc1[N+](=O)[O-] 1138193743 NCTYZXBCXQNKEM-UHFFFAOYSA-N 376.366 -0.004 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 600728748 QODKVYJQJOYPIQ-JTQLQIEISA-N 387.370 -0.286 5 10 GBBE N[C@@H]1[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1CS(=O)(=O)C2 725373201 CPIBVYWABTXMCP-DDFAGTSDSA-N 375.428 -0.413 5 10 GBBE O=C(N[C@@H]1CCCCNC1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 419956488 UGJMRTGYTPEUQN-CYBMUJFWSA-N 376.417 -0.103 5 10 GBBE O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCN2[C@H](CNS2(=O)=O)C1 1156620230 BTRZTPNSNJWUDE-CYBMUJFWSA-N 379.398 -0.090 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(N3CCOCC3)CCOCC2)n1 599324424 QXFOKKALCSYRHZ-UHFFFAOYSA-N 389.434 -0.512 5 10 GBBE CN(C1CC1)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 609896787 VCSRXDQCUDKCJL-UHFFFAOYSA-N 378.432 -0.198 5 10 GBBE O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCN2[C@@H](CNS2(=O)=O)C1 1156620236 BTRZTPNSNJWUDE-ZDUSSCGKSA-N 379.398 -0.090 5 10 GBBE CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1nnc2n1CCNC2=O 1197711454 UGEQOAMWAYKONR-UHFFFAOYSA-N 385.384 -0.049 5 10 GBBE CNC(=O)NC[C@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 863286132 KFFBFUWXYVYGSQ-JTQLQIEISA-N 377.357 -0.222 5 10 GBBE O=C1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)C2(CN1)COC2 1288292609 QASVBWQTULSJRD-UHFFFAOYSA-N 386.368 -0.034 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC1(N2CCOCC2)CC1 1568490151 FZWLUOYHFDCDCQ-UHFFFAOYSA-N 398.441 -0.146 5 10 GBBE CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518026 NVPPQDIVTITQTR-UHFFFAOYSA-N 388.432 -0.087 5 10 GBBE Cn1cc([N+](=O)[O-])c(CN2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)n1 2196043880 JLOVPRHSCDOOMB-JGVFFNPUSA-N 378.311 -0.317 5 10 GBBE O=C(CN1CCN(CCO)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 175955948 DGCQOMIOSFCILK-UHFFFAOYSA-N 377.445 -0.147 5 10 GBBE O=C(C[C@H]1COCCN1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 262231144 QKWVFSLQCZUXRN-ZDUSSCGKSA-N 398.441 -0.194 5 10 GBBE CN1CCN(C[C@H](O)CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 573239065 QQSOXFSRJRFJKI-OAHLLOKOSA-N 386.474 -0.434 5 10 GBBE N[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[C@H]1F 595991960 VLNVPAOMWHTZIN-VXGBXAGGSA-N 380.380 -0.464 5 10 GBBE COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 1261561850 ZYKMQBAGRHWKML-UONOGXRCSA-N 378.385 -0.503 5 10 GBBE CN1C[C@H](CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 1596372877 IYFULIKIZJRVLE-LLVKDONJSA-N 384.414 -0.142 5 10 GBBE CC(C)[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C(=O)O 1860754763 BETWHFNFKHVWEI-CYBMUJFWSA-N 379.373 -0.136 5 10 GBBE O=C1N[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CO1 282967940 MGMKWEMRWHLQPU-LBPRGKRZSA-N 384.370 -0.464 5 10 GBBE C[C@H](O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 412931334 UBFYLNGLIGGWJH-SMDDNHRTSA-N 387.414 -0.129 5 10 GBBE O=C(CN1CC[C@H]1CO)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1460837582 POZKLHDYICDZAL-AWEZNQCLSA-N 398.441 -0.506 5 10 GBBE CS(=O)(=O)N[C@@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 522642016 PQBBNOOZMGLPDG-SNVBAGLBSA-N 398.397 -0.530 5 10 GBBE O=C(O)CN(CC(=O)O)C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866340338 QPHRGXGDGQLTLM-UHFFFAOYSA-N 379.281 -0.421 5 10 GBBE CN1C2(CCC2)COC[C@]1(CO)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599387500 NWPFVPPTMZIBEM-CQSZACIVSA-N 389.434 -0.778 5 10 GBBE O=C(N[C@H](CO)CN1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 820009905 AEWVQRGZDBZBRU-AWEZNQCLSA-N 394.428 -0.146 5 10 GBBE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2 1623715853 JALLLKMQTHBTRA-GFCCVEGCSA-N 375.385 -0.073 5 10 GBBE CCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706622 KHFULFJSQARYNW-UHFFFAOYSA-N 393.404 -0.401 5 10 GBBE CN(C)S(=O)(=O)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 543291564 MYQNIUJYRKQJEG-UHFFFAOYSA-N 384.414 -0.229 5 10 GBBE C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC(=O)N1C 565643154 VOYUDXMYTGWPIL-LBPRGKRZSA-N 390.400 -0.673 5 10 GBBE O=C(N1CCNCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 599104131 ZYDYYGHHAKXFCR-UHFFFAOYSA-N 383.430 -0.074 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1csc([N+](=O)[O-])c1 768836822 JDAUSMGQLUJVJP-VIFPVBQESA-N 376.416 -0.328 5 10 GBBE CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 542914422 AEEPUFUVJOSRKK-CMPLNLGQSA-N 380.357 -0.234 5 10 GBBE O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593545181 ZWCUOJHZRWDAOH-UHFFFAOYSA-N 383.430 -0.082 5 10 GBBE COc1ccc([N+](=O)[O-])cc1N=c1nc(N2CC(O)C2)[nH]c(N2CC(O)C2)n1 1871734800 DRVAKGOUWOJNRT-UHFFFAOYSA-N 389.372 -0.684 5 10 GBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CCN(C)CC1 276805683 ZQFUHYZCMJSJND-UHFFFAOYSA-N 386.430 -0.093 5 10 GBBE COC(=O)[C@]1(N2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)CCOC1 1118944641 RVTBEKLQWKGCKQ-KRWDZBQOSA-N 394.384 -0.767 5 10 GBBE C[C@H]1CCNC[C@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 591423590 GEBKFKLPHONVPH-GXTWGEPZSA-N 376.417 -0.247 5 10 GBBE CN1CC2(CN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2)OC1=O 817649987 BGTNVXWCCLAULV-UHFFFAOYSA-N 384.370 -0.464 5 10 GBBE O=C(Cn1ncc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 863374170 KHQZQDOZKAFRDA-UHFFFAOYSA-N 398.376 -0.142 5 10 GBBE CN(C)C(=O)CCN1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1565586004 CHFGESUBLDNRMF-UHFFFAOYSA-N 379.417 -0.185 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc1 1326508963 VVLCSARMEQYFEO-LBPRGKRZSA-N 390.443 -0.517 5 10 GBBE O=C(O)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CS(=O)(=O)C[C@@H]1O 1866328244 IFEJIIXYISUMAN-MNOVXSKESA-N 392.773 -0.067 5 10 GBBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCO)[nH]2)c1 1871521918 ZMPOIPNSGMSMRI-UHFFFAOYSA-N 375.389 -0.268 5 10 GBBE O=c1ccc(-n2cncn2)nn1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 238960843 YLHXQLDJJVHMEM-UHFFFAOYSA-N 391.369 -0.289 5 10 GBBE COC[C@@H](CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)OC 1328252073 WDALJSBXHUOPKR-CYBMUJFWSA-N 395.416 -0.194 5 10 GBBE CN(C)CCNC(=O)[C@@H](CC(N)=O)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861124863 SDUBWUBWUPFDMI-PSKZRQQASA-N 377.401 -0.354 5 10 GBBE O=C(C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1332673282 OUBUEFCHYOBZJI-RPTJNQDTSA-N 393.425 -0.630 5 10 GBBE C[C@H]1CN(S(=O)(=O)N2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 1559068370 ZDBBRJRVBGDITJ-TXEJJXNPSA-N 388.450 -0.196 5 10 GBBE CN(C)CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1629417047 DTPBZOFJZQNMGP-LBPRGKRZSA-N 386.430 -0.666 5 10 GBBE Cc1cc(C(=O)NCC(=O)N2CCN(CCN(C)C)C(=O)C2)ccc1[N+](=O)[O-] 593783598 ATGSAHUGYLXCJR-UHFFFAOYSA-N 391.428 -0.135 5 10 GBBE COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC(=O)NCC23COC3)cc1OC 1462588072 MGSYJNAMRDFLGF-UHFFFAOYSA-N 395.368 -0.030 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)nc1 593543618 NVSGSVJLCNXXCV-UHFFFAOYSA-N 396.472 -0.353 5 10 GBBE COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] 1118440634 KACUUGJCEBUYFJ-SNVBAGLBSA-N 379.416 -0.186 5 10 GBBE O=C(C(=O)N1C[C@H]2COC[C@@H](C1)O2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1348325129 SIRWLFBKLOWVCI-IYBDPMFKSA-N 390.396 -0.130 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861131050 AICPSPASHPGPPE-DKLOGILVSA-N 390.396 -0.178 5 10 GBBE CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)NC1=O 596641114 CIUFPMRXDRCNDQ-NSHDSACASA-N 397.413 -0.549 5 10 GBBE CN(C[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1)S(C)(=O)=O 599307892 NYQGJLGFQYHGFF-JTQLQIEISA-N 395.463 -0.380 5 10 GBBE NC(=O)C(NC(=O)c1cc([N+](=O)[O-])ccc1I)C(N)=O 695296986 AQGYNWUEIHIHFD-UHFFFAOYSA-N 392.109 -0.732 5 10 GBBE N[C@H]1[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 757070086 OWZHSDGAXBDMBO-IWIIMEHWSA-N 375.428 -0.413 5 10 GBBE CN(CC(=O)N1CC2(CNC(=O)O2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1299648996 DDMZANOLEBJAHP-UHFFFAOYSA-N 384.370 -0.464 5 10 GBBE CN1CCN(C(=O)N2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)CC1 1632820451 QHFYQNBLZPDDTD-UHFFFAOYSA-N 392.416 -0.732 5 10 GBBE CN=c1[nH]c(C)c([N+](=O)[O-])c(=NCC(CO)(CO)NC(=O)OC(C)(C)C)[nH]1 2286172359 LFVMGYLEDJKTMD-UHFFFAOYSA-N 386.409 -0.761 5 10 GBBE O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 29383919 MUUDRULZZOWXQI-UHFFFAOYSA-N 398.441 -0.142 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 497953899 WONYKIIOAFYJDI-UHFFFAOYSA-N 377.401 -0.085 5 10 GBBE COC(=O)c1[nH]c(=NCC2(C)COC2)[nH]c(=NCC2(C)COC2)c1[N+](=O)[O-] 596123076 MJZQTYZMLHAINO-UHFFFAOYSA-N 381.389 -0.088 5 10 GBBE CCN1C(=O)[C@H]2CN(S(=O)(=O)c3cn(CC)nc3[N+](=O)[O-])CCN2C1=O 611106767 HSFBOLBXFPRVNX-SECBINFHSA-N 386.390 -0.532 5 10 GBBE O=C(NC[C@]12COCCN1C(=O)COC2)c1cc([N+](=O)[O-])cc2c1OCCO2 1535537948 JDPLKUCUWVSGIE-QGZVFWFLSA-N 393.352 -0.276 5 10 GBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@](C)(O)CN(C)C 273595816 QXJVAOFPDQUHSL-CQSZACIVSA-N 375.403 -0.028 5 10 GBBE O=C(CN1CCN2CCOC[C@@]2(CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 1176523125 BPBFLEWUKZZOHH-SFHVURJKSA-N 376.413 -0.137 5 10 GBBE CCN(OC)C(=O)CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1326155009 AJQNFXLYXAAIQN-UHFFFAOYSA-N 382.377 -0.519 5 10 GBBE COc1cc(OCC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)ccc1[N+](=O)[O-] 1652500980 NMHNJBWKAXEWDG-JTQLQIEISA-N 386.386 -0.657 5 10 GBBE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1nc(=N)[nH]cc1[N+](=O)[O-] 2173823658 GHMKUEJZLGSMSG-HNNXBMFYSA-N 384.393 -0.110 5 10 GBBE COc1cc(CCNC(=O)C(=O)N2CN(C)C(=O)[C@@H]2C)c([N+](=O)[O-])cc1OC 592326030 FRWRDQYQDNSBPZ-JTQLQIEISA-N 394.384 -0.083 5 10 GBBE O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 594535981 DOGZVAICVPWYQM-UONOGXRCSA-N 392.416 -0.768 5 10 GBBE CCn1cc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c([N+](=O)[O-])n1 611106333 GQGPIBPAPLFLMQ-LLVKDONJSA-N 387.418 -0.131 5 10 GBBE Cn1nccc1C1(O)CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 1455143613 YXSKZLZKBQEJQJ-UHFFFAOYSA-N 387.352 -0.216 5 10 GBBE C[C@H]1CN(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])cnn3C)CC2)C[C@H](C)O1 1611788635 OCUSPZKUHIPBSL-RYUDHWBXSA-N 388.450 -0.196 5 10 GBBE CN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 1624823344 IGIYRVZCBLONLH-AAEUAGOBSA-N 384.414 -0.213 5 10 GBBE CN(C)CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861028525 ONSSUQXJTDJEDM-LLVKDONJSA-N 385.808 -0.100 5 10 GBBE NC(=O)CC[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1866024003 MBVQSBKJDUKDGO-MRVPVSSYSA-N 378.297 -0.974 5 10 GBBE NC1(CNC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCOCC1 1329096652 WZDSCIHWGMVYJU-UHFFFAOYSA-N 378.385 -0.192 5 10 GBBE CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 554342468 DWTDCCXKCMUORO-CQSZACIVSA-N 375.429 -0.159 5 10 GBBE CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594776165 UFGYROVDGYWVOH-UHFFFAOYSA-N 393.447 -0.507 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC(CN2CCOCC2)C1 597681778 GZDGNPPSFNNZQG-UHFFFAOYSA-N 398.441 -0.336 5 10 GBBE CN(CCN1CCCS1(=O)=O)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 610638597 KWDICNHJTWIAQT-UHFFFAOYSA-N 384.414 -0.182 5 10 GBBE O=C(O)CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H]1CS(=O)(=O)C[C@@H]1O 1866369651 LSQSHPNWFSUIBS-UWVGGRQHSA-N 392.773 -0.067 5 10 GBBE O=C(C(=O)N1C[C@@H]2CCC[C@H](C1)N2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423594790 ORJRTTGFAYLJKV-OKILXGFUSA-N 388.428 -0.009 5 10 GBBE O=C(CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1)N1CCOCC1 593526232 SCDCSSYIZDFRCY-UHFFFAOYSA-N 399.429 -0.845 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCN(C)C)c1 1861344611 IYSVPBOPYJFREC-ABAIWWIYSA-N 380.401 -0.143 5 10 GBBE CCn1cc([N+](=O)[O-])c(=O)n(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)c1=O 2085012671 YESUOAIOGYIGBK-JTQLQIEISA-N 388.336 -0.405 5 10 GBBE O=C(Nc1ccc(I)cc1[N+](=O)[O-])[C@@H]1NC[C@H](O)[C@@H]1O 2201159828 GDIUBWWOCHIXLA-AEJSXWLSSA-N 393.137 -0.169 5 10 GBBE NC(CO)(CO)CNC(=O)c1cc([N+](=O)[O-])ccc1I 2286178224 BZJJRQQJMCMOFT-UHFFFAOYSA-N 395.153 -0.389 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(N3CCOCC3)CCSC2)n1 599218547 VZSGFEUCFQMXQQ-ZDUSSCGKSA-N 391.475 -0.186 5 10 GBBE C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 840976722 FCHIXSCWGANNLW-CJNGLKHVSA-N 392.412 -0.148 5 10 GBBE CC[C@H](C)[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 1353683677 FKFCNJYLGJIEFL-GXTWGEPZSA-N 396.448 -0.079 5 10 GBBE CN=c1[nH]c(NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] 2173814287 JJRRIYGQBGYMLN-UHFFFAOYSA-N 381.393 -0.017 5 10 GBBE O=C(O)CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 2323540755 QWSMJINMVSMERB-OLZOCXBDSA-N 384.366 -0.321 5 10 GBBE O=[N+]([O-])c1cc(Cl)cnc1N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 272163687 AZQBUZULVOFMLY-RYUDHWBXSA-N 376.822 -0.077 5 10 GBBE O=C(CN1CCOCC1)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 280826455 SWSOUKMQTIPGGJ-UHFFFAOYSA-N 378.385 -0.083 5 10 GBBE CC(=O)NCCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860754737 AGLAHVUJYODRFS-UHFFFAOYSA-N 378.389 -0.719 5 10 GBBE CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 603563427 BENJYTVKVXKCFA-LBPRGKRZSA-N 396.425 -0.094 5 10 GBBE NC(=O)[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ccc([N+](=O)[O-])c(N)n2)C1 2173845674 LMSYJRZVZDNJLR-BQBZGAKWSA-N 376.295 -0.069 5 10 GBBE NC(=O)CC[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCO 2330632820 XDOMLLHTWSFBAU-AWEZNQCLSA-N 378.385 -0.143 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1ccccc1[N+](=O)[O-] 2330663779 UWWWXIXQYNLFHK-GDBMZVCRSA-N 390.396 -0.178 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(N3CCCS3(=O)=O)CC2)n1 1328833823 JHPIZJNKSTVEFN-UHFFFAOYSA-N 393.447 -0.483 5 10 GBBE COc1ccc(OC)c(N=c2[nH]c(N(CCO)CCO)nc(N)c2[N+](=O)[O-])c1 1871312710 QKIRQNBJNINFBS-UHFFFAOYSA-N 394.388 -0.059 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCN(S(=O)(=O)C2CC2)CC1 374749874 JTQCYPBLLAFTNI-UHFFFAOYSA-N 384.414 -0.217 5 10 GBBE C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCS1(=O)=O 545910998 ZFGKCYABGOLKLE-JTQLQIEISA-N 383.382 -0.034 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[S@]2=O 593871556 UNFHTWCRVQMDDJ-BGBYCUJFSA-N 387.439 -0.005 5 10 GBBE CN1CCOC[C@@]1(CO)CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 1187634036 XAONYSNJPPSVQD-HNNXBMFYSA-N 388.446 -0.050 5 10 GBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1S(C)(=O)=O 1877646355 DWPKMQTXHLSGIO-BDAKNGLRSA-N 390.422 -0.410 5 10 GBBE Cc1[nH]c(=N)nc(N2CCN(C)C[C@@H]2CNC(=O)C(F)(F)F)c1[N+](=O)[O-] 2173975470 NYSMPFHJHYXBEN-QMMMGPOBSA-N 377.327 -0.095 5 10 GBBE Cn1c(O)ncc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1=O 294545706 MLGKMSJJEFNKBM-UHFFFAOYSA-N 387.352 -0.008 5 10 GBBE NC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1=O 837974241 RVIFHZHZNUKDHP-UHFFFAOYSA-N 375.385 -0.035 5 10 GBBE O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O 1349712656 XCGICDOHWCVIFQ-YDMHURDNSA-N 377.382 -0.181 5 10 GBBE COC(=O)c1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)OC)cc([N+](=O)[O-])c1 1539385745 FOVODQGGIAFEAT-GFCCVEGCSA-N 379.325 -0.163 5 10 GBBE O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(CC(=O)N2CCOCC2)CC1 299204976 ILZDJKCZXCHWNG-UHFFFAOYSA-N 392.412 -0.023 5 10 GBBE C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1C 506506763 WSXHQHJPYXHHPH-NSHDSACASA-N 384.414 -0.048 5 10 GBBE CNS(=O)(=O)c1ccc(N2CC(C3CS(=O)(=O)C3)C2)c([N+](=O)[O-])c1 1347243655 MJOIIEPAZZRCTO-UHFFFAOYSA-N 375.428 -0.016 5 10 GBBE CC(C)(C)OC(=O)N1CCN(C(=O)CN=c2[nH]cnc(N)c2[N+](=O)[O-])CC1 2173917693 KTMSEJPLAJBEEB-UHFFFAOYSA-N 381.393 -0.120 5 10 GBBE O=C(N[C@H](CO)CN1CCOCC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 555533223 CRZZEACUAYZTNI-AWEZNQCLSA-N 394.428 -0.146 5 10 GBBE CNS(=O)(=O)c1ccc(N2CCN(c3nncn3C)CC2)c([N+](=O)[O-])c1 594604182 SPLQUESUCHXWPG-UHFFFAOYSA-N 381.418 -0.042 5 10 GBBE COc1ccc(NC(=O)COc2nonc2C(=O)N2CC(O)C2)c([N+](=O)[O-])c1 1872674545 QXWKFUGXZWIYRB-UHFFFAOYSA-N 393.312 -0.179 5 10 GBBE CN(C)CCN1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1=O 1346351245 BGDBHJNOWAUODD-UHFFFAOYSA-N 391.428 -0.514 5 10 GBBE CN1CC[C@@](C)(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 1464577871 IGNGSDJRMWROOB-HNNXBMFYSA-N 384.414 -0.142 5 10 GBBE CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCC(=O)NCC(=O)OC 1867356377 PLGANVMBYRJDGS-ZDUSSCGKSA-N 394.384 -0.101 5 10 GBBE O=C(CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N[C@@H](CO)C(=O)O 526917155 VPOFUIILDDYLIG-NSHDSACASA-N 384.301 -0.425 5 10 GBBE CN1CCOC[C@@H]1CNc1nc(NC[C@@H]2COCCN2C)ccc1[N+](=O)[O-] 599161286 NQFLUWQIXKELQL-KGLIPLIRSA-N 380.449 0.475 5 10 GBBE CN1CCN(C)CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1456270560 QAAOILMECMIWMD-UHFFFAOYSA-N 389.412 -0.103 5 10 GBBE CCN=c1ccnc(N2CCN(C(=O)c3cc([N+](=O)[O-])c(=O)n(C)c3)CC2)[nH]1 1890048172 QQTCKFAIQVIKAE-UHFFFAOYSA-N 387.400 -0.100 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 371021306 YEGOWQOLLUOIPZ-CYBMUJFWSA-N 377.401 -0.039 5 10 GBBE CNC(=O)NC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCO1 599128442 KAHVJOMTLWGVPS-SNVBAGLBSA-N 378.389 -0.081 5 10 GBBE CN(C)CCNC(=O)CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 1873788793 MUUGMWIYUDEXQL-UHFFFAOYSA-N 377.445 -0.041 5 10 GBBE NC(=O)[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ncnc(N)c2[N+](=O)[O-])C1 2173806082 MXMHNLYKLZZXCY-WDSKDSINSA-N 377.283 -0.674 5 10 GBBE NC(=O)N[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 270672130 LQVOAQJPOKOHNV-ZDUSSCGKSA-N 376.417 -0.014 5 10 GBBE COC1(OC)CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@@H]1O 1627281737 XWZBTTOKNPIMBN-LBPRGKRZSA-N 393.352 -0.227 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1CN2CCCN1CC2 590355420 WZLZJPRIVABXJY-AWEZNQCLSA-N 389.412 -0.174 5 10 GBBE Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 785688347 ALFQONAIQMRRNT-UHFFFAOYSA-N 380.386 -0.130 5 10 GBBE C[C@H](O)CNC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861129178 AUZMNWIMHRSOEA-RMUNVQARSA-N 378.385 -0.145 5 10 GBBE Cc1c(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCCO)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861792672 DNRNWTOSYHOWET-FZMZJTMJSA-N 396.356 -0.115 5 10 GBBE O=C(O)CN(C(=O)C=Cc1cccc([N+](=O)[O-])c1)[C@H]1CS(=O)(=O)C[C@H]1O 2322775698 PLONMESESZNDHX-QWHCGFSZSA-N 384.366 -0.321 5 10 GBBE COCCN(C)CCN1C[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1=O 1160604452 IJAFKHPFZDQXRP-SECBINFHSA-N 388.812 -0.120 5 10 GBBE CN1CCN(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)CC1 1628334892 JQAOOXPCDFASMC-UHFFFAOYSA-N 377.405 -0.303 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCNC1=O 1630904538 GLJXOIXSJRQZJR-NSHDSACASA-N 384.414 -0.142 5 10 GBBE CCCNC(=O)CN1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1629912897 BQYAXKLHBBPOOJ-UHFFFAOYSA-N 379.417 -0.137 5 10 GBBE Cc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c(C)cc1[N+](=O)[O-] 416425113 CDIQJVODWNJDFB-NSHDSACASA-N 382.398 -0.457 5 10 GBBE O=C1OC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@@H]12 1328844959 ZJZBGKSSLOHIDS-CHWSQXEVSA-N 388.380 -0.125 5 10 GBBE Cc1nn2c(=O)c3ccccc3nc2n(NC(=O)c2cccn(C)c2=O)c1=O 96632174 UMJXYVGVIGMUHB-UHFFFAOYSA-N 378.348 -0.205 5 10 GBBE CN=c1[nH]c(=NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]cc1[N+](=O)[O-] 2233974916 NDFGRUIVUAZINT-DVVUODLYSA-N 384.393 -0.977 5 10 GBBE O=C(O)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 565298438 LNFZUQCLEAKXRS-LLVKDONJSA-N 377.357 -0.429 5 10 GBBE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc([N+](=O)[O-])s1 598908893 GEJGUJGMSDBZDL-YUMQZZPRSA-N 382.354 -0.036 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)c([N+](=O)[O-])c1 425295863 QOTRRGYTXDDCRJ-LLVKDONJSA-N 387.414 -0.579 5 10 GBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC1CN(S(=O)(=O)N(C)C)C1 859394508 BIACNCMRHHMYEE-UHFFFAOYSA-N 396.422 -0.189 5 10 GBBE CS(=O)(=O)N1CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 1124605064 OPDKZYXVWYGLHO-UHFFFAOYSA-N 380.386 -0.107 5 10 GBBE O=C(C=Cc1ccc([N+](=O)[O-])s1)NCCNC(=S)N[C@H](CO)C(=O)O 2296382351 RYECTJLHGPRUPL-SECBINFHSA-N 388.427 -0.305 5 10 GBBE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 441206047 RRDBZXNRRKLDHQ-KSTCHIGDSA-N 382.373 -0.423 5 10 GBBE O=C(O)CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CS(=O)(=O)C[C@@H]1O 1866332689 MVHZVEOLSIGUTN-QWRGUYRKSA-N 392.773 -0.067 5 10 GBBE O=C(NCC(=O)N1CCOCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 538518356 WZXYVRJBWCEGHL-LLVKDONJSA-N 380.357 -0.233 5 10 GBBE COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2[C@@H](CNS2(=O)=O)C1 1198061144 OMMPCDCGYYEJTQ-LBPRGKRZSA-N 399.429 -0.234 5 10 GBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 1346219572 VPOYUQAMOHDKAQ-AWEZNQCLSA-N 386.368 -0.171 5 10 GBBE O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCCN1CCOCC1 1872604924 HVVLOSUNCGSQQT-UHFFFAOYSA-N 386.430 -0.288 5 10 GBBE CNS(=O)(=O)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 265343367 QIICMLSQPTZSOR-SECBINFHSA-N 378.432 -0.369 5 10 GBBE COc1ccc(C(=O)NCCNC(=S)NCCNC(C)=O)cc1[N+](=O)[O-] 586406104 YUZFUISTVREKMU-UHFFFAOYSA-N 383.430 -0.067 5 10 GBBE COC[C@@H]1C[C@@H](O)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 593810824 RLDYFRGPYSMAAL-QWHCGFSZSA-N 387.414 -0.129 5 10 GBBE Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)c1C 599501790 WQKNLNSLNNGIFW-UHFFFAOYSA-N 392.459 -0.019 5 10 GBBE COc1cc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC 600707588 BVNFJZPOPDCNCO-UHFFFAOYSA-N 388.402 -0.168 5 10 GBBE CO[C@]1(CO)CCCN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 1261617781 TYRMVLMUMBSOKB-QGZVFWFLSA-N 395.416 -0.045 5 10 GBBE C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 1545547599 PQWAPHMCSIVZKX-YPMHNXCESA-N 386.430 -0.292 5 10 GBBE O=C(O)[C@@H]1C[C@H](O)CN1C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866340352 QXRRZMJWIGNDBD-KWQFWETISA-N 377.309 -0.373 5 10 GBBE O=[N+]([O-])c1cnccc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 747226513 OFYZCFQIVQULEE-NSHDSACASA-N 390.443 -0.371 5 10 GBBE NC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCOCC1 1861033141 CPAUOEHMXCQXDM-AWEZNQCLSA-N 393.400 -0.983 5 10 GBBE COCCCS(=O)(=O)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 271471555 YSDUXTVSLWEEEL-UHFFFAOYSA-N 375.407 -0.548 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCNC[C@H]1C(F)F 566252117 HODWBKOEBLLICP-JTQLQIEISA-N 378.357 -0.061 5 10 GBBE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1253411031 BVFRBINNYYDNKN-CYBMUJFWSA-N 379.417 -0.185 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC(N2CCCS2(=O)=O)CC1 1583766994 PESYXNSSDFUNOX-UHFFFAOYSA-N 384.414 -0.217 5 10 GBBE O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 532143491 JRDQZKJKRFVGJO-UHFFFAOYSA-N 385.402 -0.675 5 10 GBBE COC(=O)C1(O)CN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C1 1644207161 ZMTTYLKNEDUOIN-UHFFFAOYSA-N 385.279 -0.221 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861131052 AICPSPASHPGPPE-DZEZYYDTSA-N 390.396 -0.178 5 10 GBBE O=C(O)CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CS(=O)(=O)C[C@H]1O 1866311261 PLONMESESZNDHX-QITAHTHBSA-N 384.366 -0.321 5 10 GBBE O=C1NCCN1CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 569736053 OWAJCDRUFBRLTB-UHFFFAOYSA-N 383.430 -0.074 5 10 GBBE CN1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1CO 931407142 SOAXQKGICCNWEH-QGZVFWFLSA-N 377.445 -0.148 5 10 GBBE NC(=O)[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ccc([N+](=O)[O-])c(N)n2)C1 2173845675 LMSYJRZVZDNJLR-NKWVEPMBSA-N 376.295 -0.069 5 10 GBBE CNc1nc[nH]c(=NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] 2173945165 LKFVEQJKIXNRPX-UHFFFAOYSA-N 381.393 -0.017 5 10 GBBE O=C1OC[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 863762303 NOZGCROLJNWKHE-ZWNOBZJWSA-N 383.382 -0.105 5 10 GBBE COC1(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CS(=O)(=O)C1 1436555246 XYJRAPUIMLDWJT-UHFFFAOYSA-N 397.409 -0.307 5 10 GBBE C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C 1565834646 YNWBATKVRCWKEF-TZMCWYRMSA-N 399.473 -0.376 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 1623729405 LZSLZKVMOOBSAS-VIFPVBQESA-N 387.370 -0.286 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 443784710 SWFQCRQAUHPXKO-ZDUSSCGKSA-N 384.414 -0.249 5 10 GBBE Cc1sc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] 599501467 QFAGXZDTXWRCTP-UHFFFAOYSA-N 384.461 -0.266 5 10 GBBE COc1ccc(C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@H]2O)cc1[N+](=O)[O-] 1866359136 YQNBCPDKGRKPHQ-WDEREUQCSA-N 388.354 -0.712 5 10 GBBE CNC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867848593 ZZGKIXBLTQAYBX-SCZZXKLOSA-N 397.344 -0.847 5 10 GBBE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1ncc([N+](=O)[O-])c(=N)[nH]1 2173811208 WAIMIBBPMPLRGT-OAHLLOKOSA-N 384.393 -0.110 5 10 GBBE O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 443681093 CYYPEZRTDJMUTF-UHFFFAOYSA-N 396.425 -0.153 5 10 GBBE O=C(CCOC1CNC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 568740465 URRACRARNAKIFJ-UHFFFAOYSA-N 398.441 -0.194 5 10 GBBE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 469919860 XWWJZFJKVWCNEO-QWRGUYRKSA-N 388.450 -0.023 5 10 GBBE CN(OCC(F)(F)F)C(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859234835 AOSMSCWZIKLPOZ-UHFFFAOYSA-N 375.285 -0.441 5 10 GBBE C[C@@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1S(C)(=O)=O 1328866259 GPWJQPKJGUMNFJ-GFCCVEGCSA-N 398.441 -0.254 5 10 GBBE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)CN1CCOCC1 508339273 KNGVEJLRZQYVHB-STQMWFEESA-N 384.437 -0.363 5 10 GBBE CN(CC(=O)N1CCOCC1)C(=O)Cn1c2c(cc([N+](=O)[O-])c1=O)CCCC2 521434231 KZIYDLFWYGTTKZ-UHFFFAOYSA-N 392.412 -0.048 5 10 GBBE O=C(N[C@H](CO)CN1CCOCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 773371156 SQHOOTXADRZYOY-LRDDRELGSA-N 378.385 -0.103 5 10 GBBE CCCCNC(=O)CN1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 858882585 QUIBVYRYQQSVDN-UHFFFAOYSA-N 388.450 -0.449 5 10 GBBE CN(CC(=O)N[C@@H](CO)[C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1137912837 BLOIFOQHTLDFAS-FZMZJTMJSA-N 387.414 -0.271 5 10 GBBE C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 414601856 TYJNBETUGSSIJK-TZMCWYRMSA-N 393.400 -0.753 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CC(N2CCOCC2)C1 600065664 BJTFDQODOSRFEC-UHFFFAOYSA-N 398.441 -0.148 5 10 GBBE C[C@H](O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330669620 AUZMNWIMHRSOEA-WCQYABFASA-N 378.385 -0.145 5 10 GBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 461325526 MVRNJZBBNUKAOJ-UHFFFAOYSA-N 388.450 -0.169 5 10 GBBE CCc1nn(C)c(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 536687996 QNYFHOBOAFFYPL-UHFFFAOYSA-N 388.450 -0.410 5 10 GBBE CNc1nccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 584847347 KYDGZBJOOCDQJN-UHFFFAOYSA-N 392.416 -0.352 5 10 GBBE NC(=O)C[C@H](NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1859457396 LAVIINCPDVFXLH-VIFPVBQESA-N 392.324 -0.584 5 10 GBBE CN(CC(=O)N1CCOC[C@@H]1CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1 769056800 FGQSKMRNTJVNMU-ZDUSSCGKSA-N 387.414 -0.175 5 10 GBBE CN(C)C[C@]1(O)CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1175117619 DAIJJPQUCROMNK-QGZVFWFLSA-N 376.369 -0.284 5 10 GBBE O=C1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C2(CN1)COC2 1534107047 MEKWSHVPTYTTLD-UHFFFAOYSA-N 376.325 -0.952 5 10 GBBE O=C(CCCNC(=O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1)NC1CC1 1867359636 CYGCYBGGOGDXAH-AWEZNQCLSA-N 378.385 -0.140 5 10 GBBE O=C(O)C[C@H](NC(=S)NCCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 585859546 XPUIQCVDZHBFAU-JTQLQIEISA-N 384.370 -0.283 5 10 GBBE CN1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(NC[C@@H]2COCCN2C)n1 599161287 NQFLUWQIXKELQL-UONOGXRCSA-N 380.449 0.475 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 732072323 XZHIXZWDRZFXAE-ZDUSSCGKSA-N 382.348 -0.034 5 10 GBBE C[C@H](O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 1556996328 YAGDJBQFCHJSDC-SMDDNHRTSA-N 387.414 -0.177 5 10 GBBE COCCN=c1[nH]c(=NCCOC)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871464442 HZWSZZGHDUUJIJ-UHFFFAOYSA-N 393.404 -0.086 5 10 GBBE CC(C)(C)OC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Oc1ncc([N+](=O)[O-])c(=N)[nH]1 2128137027 OAQYQEXDBBKVSM-APPZFPTMSA-N 389.390 -0.134 5 10 GBBE CC(C)(C)OC(=O)N1CCOC[C@](O)(Cn2cc([N+](=O)[O-])c(O)nc2=O)C1 2156775315 IDKKPKLFDSMPON-OAHLLOKOSA-N 386.361 -0.145 5 10 GBBE CN=c1nc(N2CCN(C)C[C@H]2CNC(=O)C(F)(F)F)c([N+](=O)[O-])c[nH]1 2173975778 QXEIZRUCAGEYIP-MRVPVSSYSA-N 377.327 -0.353 5 10 GBBE O=c1ccc(-n2cncn2)nn1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 238879459 OWTVGKGKQHYLKJ-UHFFFAOYSA-N 391.369 -0.289 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] 599665747 KVRTWRTUJNSGLH-STQMWFEESA-N 389.430 -0.416 5 10 GBBE O=Cc1ccc(OCC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1639153635 FFMIHLITPSMDRX-LLVKDONJSA-N 384.370 -0.853 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CC(N[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] 1456301216 RYIRYPKREKIBKF-GFCCVEGCSA-N 378.385 -0.078 5 10 GBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1566960075 FODZDSHAHRCJEG-UHFFFAOYSA-N 385.446 -0.179 5 10 GBBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCc3cnc[nH]3)[nH]2)c1 1871519810 DDTBWDJZIXZZQT-UHFFFAOYSA-N 397.399 -0.074 5 10 GBBE COC(=O)[C@]1(N2CCN(C(=O)c3cnc(O)c([N+](=O)[O-])c3)CC2)CCOC1 1331790924 NFWKESGLOGTNGL-INIZCTEOSA-N 380.357 -0.215 5 10 GBBE O=Cc1ccc(OCC(=O)N2CCN3CCOC[C@@]3(CO)C2)c([N+](=O)[O-])c1 1647082676 UEYCISNNPNYDKE-KRWDZBQOSA-N 379.369 -0.308 5 10 GBBE Cc1c(C(=O)N[C@@H](CCC(N)=O)C(=O)NCCCNC=O)cccc1[N+](=O)[O-] 1861010776 NLZZZLSPLAWALU-ZDUSSCGKSA-N 393.400 -0.481 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)n1 599315656 KUSWXDBUYBPJIN-SECBINFHSA-N 387.340 -0.130 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)n1 599327650 VJENGKKZEVQQQM-LLVKDONJSA-N 378.432 -0.084 5 10 GBBE O=CNCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861126081 JSWJNBNPQNLNQP-KBKYZLAFSA-N 390.396 -0.178 5 10 GBBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCO)[nH]2)c1 1871520938 AGTVUBPEFRXVCI-UHFFFAOYSA-N 389.416 -0.020 5 10 GBBE O=C(Nc1ccc(I)cc1[N+](=O)[O-])[C@H]1NC[C@@H](O)[C@H]1O 2357926396 GDIUBWWOCHIXLA-KXUCPTDWSA-N 393.137 -0.169 5 10 GBBE CNC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 422091844 CNUSFTABJWUODS-CYBMUJFWSA-N 389.412 -0.162 5 10 GBBE O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)N1CCOCC1 436863054 RLEYXBHULAEOFU-UHFFFAOYSA-N 378.385 -0.083 5 10 GBBE O=C(CN1CCOCC1=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 790765194 KPJQNHJPDGXFBG-UHFFFAOYSA-N 377.762 -0.088 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC(C2CS(=O)(=O)C2)C1 1347987449 BUSSGNQVYQYBNQ-UHFFFAOYSA-N 395.393 -0.177 5 10 GBBE Cc1c(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 1544138866 GHMMYYGFKXJZSE-NHYWBVRUSA-N 399.473 -0.085 5 10 GBBE O=C(N1CCNCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 599097338 CBKJWZRUOFTMDN-UHFFFAOYSA-N 383.430 -0.074 5 10 GBBE O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCN2[C@H](CNS2(=O)=O)C1 1456178784 XAJIKWUILBRZHU-MRVPVSSYSA-N 384.399 -0.426 5 10 GBBE O=C(CN1CC[C@H](O)[C@@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1460252899 JNPPTACFGFVTKO-PBHICJAKSA-N 378.429 -0.082 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CSC[C@H]2C(=O)NCC2CC2)n1 599228964 JJLCLKVDMRMHFC-JTQLQIEISA-N 375.432 -0.082 5 10 GBBE O=C(C(=O)N1C[C@@H](O)CC(F)(F)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1328571555 LRGIEMYYFPKFJW-LBPRGKRZSA-N 399.354 -0.133 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1464504267 NNYQHSJLFWEUGB-OLZOCXBDSA-N 399.425 -0.049 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C1(O)CCOCC1 1469384584 XFYVCMZSOFPBIB-UHFFFAOYSA-N 387.414 -0.127 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CC(O)(c3nccn3C)C2)cc1[N+](=O)[O-] 1633055638 SAMQBQSVMYMJHC-UHFFFAOYSA-N 389.368 -0.203 5 10 GBBE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1c1ncc([N+](=O)[O-])c(=N)[nH]1 2173811207 WAIMIBBPMPLRGT-HNNXBMFYSA-N 384.393 -0.110 5 10 GBBE CC1(C)C(=O)NC(=O)N1CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 457130882 YJDGEJDRSWNSTG-UHFFFAOYSA-N 376.373 -0.031 5 10 GBBE O=C(N[C@H](CO)CN1CCOCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 591833126 HCPLQKOPBAUWFZ-STQMWFEESA-N 396.400 -0.398 5 10 GBBE O=C(C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1327375617 OQPUDTASQVNWDC-LKLRLBKWSA-N 392.437 -0.025 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(C2CC2)C1 1149337057 UIZMRNVTGROGNS-JTQLQIEISA-N 382.398 -0.247 5 10 GBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1464912921 VVBHJTFPTIROSQ-UHFFFAOYSA-N 379.421 -0.389 5 10 GBBE COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2[C@H](CNS2(=O)=O)C1 1620608100 DSHOMSUPYLVRGR-GFCCVEGCSA-N 399.429 -0.234 5 10 GBBE CC(C)NC(=O)[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])c(=O)n(C)c2)CC1 1890201763 SLKRNWLPJPRXDL-LBPRGKRZSA-N 379.417 -0.036 5 10 GBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1627285910 OWMLQRKDFGMLPK-KBPBESRZSA-N 390.352 -0.070 5 10 GBBE CC(=O)NCCN=c1[nH]c(Nc2ccc(S(N)(=O)=O)cc2)ncc1[N+](=O)[O-] 1871302698 SCELQBISKGNJSQ-UHFFFAOYSA-N 395.401 -0.254 5 10 GBBE NC(=O)CN1CCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1=O 840159782 OHGYOLKRDMLFJW-UHFFFAOYSA-N 376.373 -0.576 5 10 GBBE COc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCCCO)[nH]2)cc1[N+](=O)[O-] 1871705145 AYXHKSBIBOSGJS-UHFFFAOYSA-N 393.404 -0.401 5 10 GBBE CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593529087 UYTWFNJXDFYUTA-JTQLQIEISA-N 378.432 -0.060 5 10 GBBE CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594754079 YYVKHWHAGIQGCK-UHFFFAOYSA-N 378.432 -0.060 5 10 GBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1329372249 WDUUKQOSUYQZLX-MWLCHTKSSA-N 377.400 -0.434 5 10 GBBE O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCS(=O)(=O)O 1866023589 AWMRCQBMXCJUOY-UHFFFAOYSA-N 385.354 -0.025 5 10 GBBE CC(=O)NCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521075 COVBUVFDYGBBEJ-UHFFFAOYSA-N 388.388 -0.904 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1 427510461 YQADZLFUELYASN-UHFFFAOYSA-N 391.388 0.504 5 10 GBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1329372245 WDUUKQOSUYQZLX-GXSJLCMTSA-N 377.400 -0.434 5 10 GBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN2CCOC[C@]2(CO)C1 1647080881 KGRSFBCCFIESJQ-QGZVFWFLSA-N 379.369 -0.115 5 10 GBBE CC(=O)NCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cccc([N+](=O)[O-])c1C 1861011623 YUBHNWVKHPIDHQ-GFCCVEGCSA-N 379.373 -0.871 5 10 GBBE CC(=O)NCCNC(=O)[C@@H](CC(N)=O)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330596588 LWJRZPPVZJRGHC-CQSZACIVSA-N 391.384 -0.780 5 10 GBBE COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CN(S(=O)(=O)N(C)C)C1 599501030 HMSRQHSNQCAGKO-UHFFFAOYSA-N 394.431 -0.628 5 10 GBBE COc1ccc(NC(=O)[C@H](C)N2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1648413299 WQMWUWGYSIDILF-WDEREUQCSA-N 399.429 -0.235 5 10 GBBE O=CNCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1cccc([N+](=O)[O-])c1 2330624159 ZMFYZRQOIBWKPK-CVEARBPZSA-N 390.396 -0.178 5 10 GBBE C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1CCO 428526078 GSNJNTDCEICVCI-CYBMUJFWSA-N 379.417 -0.081 5 10 GBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CN(S(=O)(=O)N(C)C)C1 599501089 JLOLBBSBPMQSCO-UHFFFAOYSA-N 378.432 -0.328 5 10 GBBE O=C(CN1CC[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1648426805 OEUPARKSRXZRST-CQSZACIVSA-N 398.441 -0.506 5 10 GBBE O=C(NC[C@]12COCCN1C(=O)COC2)c1n[nH]c2ccc([N+](=O)[O-])cc12 1532282586 UGGCBMVYZUNCHJ-MRXNPFEDSA-N 375.341 -0.171 5 10 GBBE C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1628917684 MTFIIIDFAUUTHN-TZMCWYRMSA-N 397.457 -0.622 5 10 GBBE CC(C)N1CCO[C@@H](CN2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 246754110 PUPXSQXNMLPBAT-MSOLQXFVSA-N 396.492 -0.121 5 10 GBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 725375606 PGZHJPSUYXLADR-UHFFFAOYSA-N 390.443 -0.797 5 10 GBBE COc1ccc(CNC(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] 1117087393 CLMZUBRHPZEGDL-KRWDZBQOSA-N 376.369 -0.042 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1 1290357801 FGTBXRYPWPJKFQ-UHFFFAOYSA-N 391.384 -0.559 5 10 GBBE C[C@@H](O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861124460 QAYKPIIBHUHHDI-AZLLNVJASA-N 378.385 -0.145 5 10 GBBE CN1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O 613865222 LEEFPMZRRZDPAR-AWEZNQCLSA-N 396.425 -0.094 5 10 GBBE O=C1OC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)C[C@@H]12 1328849936 DBZDEISVMKAKMI-DGCLKSJQSA-N 389.368 -0.730 5 10 GBBE O=C(CN1C[C@@H](CO)[C@@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1644246857 TUVOHSTWRSYEGS-GASCZTMLSA-N 378.429 -0.224 5 10 GBBE COC(=O)[C@](C)(O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 583522909 DCWKOWPDDPBZDB-OAHLLOKOSA-N 387.414 -0.175 5 10 GBBE O=C(C(=O)N1CCN(C2CC2)CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 298189600 WIIGAQGVTPMPND-UHFFFAOYSA-N 388.428 -0.055 5 10 GBBE C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593529767 FLJWHMXZXMOUJS-NSHDSACASA-N 383.430 -0.037 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 609542753 QCCSMOXQQHBASH-NSHDSACASA-N 388.377 -0.251 5 10 GBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(CO[C@H]2CCNC2)CC1 1118867057 GPOWOUJSGAJSCX-HNNXBMFYSA-N 394.432 -0.475 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3COC[C@H]3O)cc2[N+](=O)[O-])CC1 1297980246 JYYSMJDKRXNVDG-CZUORRHYSA-N 378.385 -0.247 5 10 GBBE Cc1sc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1[N+](=O)[O-] 299591539 DDJGQUPCJSURKR-NWDGAFQWSA-N 389.455 -0.120 5 10 GBBE Cn1c(=O)c2c(ncn2CCN2CCc3ncc([N+](=O)[O-])cc3C2)n(C)c1=O 495455566 OZQBHBSOLGVXPU-UHFFFAOYSA-N 385.384 -0.205 5 10 GBBE C[C@@H](O)[C@H](O)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1187182996 RHQIZDSNPJYMFJ-IAQYHMDHSA-N 388.446 -0.316 5 10 GBBE NC(=O)C1(N)CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 2165760257 WYGXDBMTJNGMPP-UHFFFAOYSA-N 390.137 -0.162 5 10 GBBE NC(=O)C[C@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 860015766 BHXYDJUENFVGNA-INIZCTEOSA-N 391.428 -0.180 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)nc1 1326470373 HAHGWENHRPIYEC-LBPRGKRZSA-N 377.400 -0.432 5 10 GBBE O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 1449706583 ZCSZRIKEDCTEFE-MRXNPFEDSA-N 399.425 -0.289 5 10 GBBE C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1CCO 428547536 PHWVVCBOJWKSLG-NSHDSACASA-N 376.369 -0.284 5 10 GBBE COC(=O)[C@](C)(O)CN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1307871988 KVYZEMUYJLRRQF-CQSZACIVSA-N 375.403 -0.271 5 10 GBBE COC[C@@](C)(CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 613534649 PORFDWDFCWIBCT-CQSZACIVSA-N 375.403 -0.271 5 10 GBBE CC(=O)N[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1436913361 RUNUFPRABMYQKL-GFCCVEGCSA-N 384.414 -0.048 5 10 GBBE O=C(CN1CCN(Cc2cccnc2[N+](=O)[O-])CC1)N[C@H]1CCS(=O)(=O)C1 1559613156 YQUUAEOEUPCFHJ-AWEZNQCLSA-N 397.457 -0.589 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC(N[C@H]2CCOC2)C1 1652690982 QEJKWXZCBZUAQO-NSHDSACASA-N 384.414 -0.538 5 10 GBBE C[C@@H](O)[C@@H](NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026268 KFAZEJUADWAZHW-AMIZOPFISA-N 379.325 -0.079 5 10 GBBE O=C(O)CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@H]1O 1866335781 QWSMJINMVSMERB-SLEPRMHMSA-N 384.366 -0.321 5 10 GBBE Cn1cc([N+](=O)[O-])c(CN2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)n1 2196043881 JLOVPRHSCDOOMB-SFYZADRCSA-N 378.311 -0.317 5 10 GBBE COc1cc(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1[N+](=O)[O-] 492973317 QURRVRIOPQMBML-CABCVRRESA-N 385.442 -0.121 5 10 GBBE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 510149216 RRBQTPBKMDHPOG-AWEZNQCLSA-N 389.416 -0.408 5 10 GBBE CN1C(=O)CN(NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C1=O 827648567 DZAPBJMXTQJUQO-UHFFFAOYSA-N 383.267 -0.042 5 10 GBBE NC(=O)[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ccc([N+](=O)[O-])c(N)n2)C1 2173845676 LMSYJRZVZDNJLR-RNFRBKRXSA-N 376.295 -0.069 5 10 GBBE COC(=O)[C@@]1(O)CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 1153270763 ZDIPKTPLZOLQNX-MRXNPFEDSA-N 379.325 -0.543 5 10 GBBE C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1544468349 IRFSVSCKUUIMGQ-IUODEOHRSA-N 397.457 -0.622 5 10 GBBE CS(=O)(=O)N1CCN(C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 1858622742 QKHCXRNJKSABPO-UHFFFAOYSA-N 398.445 -0.191 5 10 GBBE COCC(=O)N1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169829640 ZDJLKRZCJMEZKZ-UHFFFAOYSA-N 390.352 -0.492 5 10 GBBE O=C1CO[C@@H]2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C[C@H]2N1 374026225 IYFIFSCPXSDHOZ-ZYHUDNBSSA-N 376.325 -0.381 5 10 GBBE CCNC(=O)C1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 443612565 ATVJUGGAEJJXLV-UHFFFAOYSA-N 384.414 -0.190 5 10 GBBE CN(C)C(=O)/C=C/C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142426295 HQYUKIVJYHOKHH-CMDGGOBGSA-N 384.414 -0.024 5 10 GBBE O=C(CN1CC[C@@H](O)[C@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1460252916 JNPPTACFGFVTKO-WMLDXEAASA-N 378.429 -0.082 5 10 GBBE COCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1556068347 ZVVGHXXCYGVKJM-UHFFFAOYSA-N 387.414 -0.127 5 10 GBBE C[C@H](O)CN=c1nc(N2CCN(C)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520131 IXQQWCNKWQNQJD-LBPRGKRZSA-N 388.432 -0.088 5 10 GBBE CN(C)C(=O)C1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 486299188 OUVYPWVGFCUDLX-UHFFFAOYSA-N 384.414 -0.142 5 10 GBBE COCCN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599336126 HCCGAZCDIDYTCP-MRVPVSSYSA-N 376.313 -0.111 5 10 GBBE Nc1cc(N2CCN(C(=O)CN3CCOCC3)CC2)cc(CO)c1[N+](=O)[O-] 611525557 ZLIZLRCEGCMZCQ-UHFFFAOYSA-N 379.417 -0.350 5 10 GBBE O=C1OC[C@H]2CN(C(=O)C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)C[C@@H]12 1261803208 AWFUMFUWQVQSKO-VXGBXAGGSA-N 389.368 -0.730 5 10 GBBE CN(CCO)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 1458592623 JVJXJIRJNVSRSC-UHFFFAOYSA-N 388.446 -0.048 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 1523988899 OYZQCQHXIOUVLS-UHFFFAOYSA-N 385.398 -0.023 5 10 GBBE CC(=O)NCCNC(=O)[C@@H](CC(N)=O)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861124099 OJKRLYNEWSFHJW-VBROQKIQSA-N 391.384 -0.780 5 10 GBBE O=C(O)CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O 1866335779 QWSMJINMVSMERB-OIOWFRMASA-N 384.366 -0.321 5 10 GBBE CN(C)S(=O)(=O)N1CC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 599182697 PLCMGSHLDGVMOG-UHFFFAOYSA-N 378.432 -0.099 5 10 GBBE CN(C)CCN1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 1290338076 YFSORFMUBSSUDZ-UHFFFAOYSA-N 385.446 -0.438 5 10 GBBE COC(=O)[C@@]1(N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3O)CC2)CCOC1 1331883130 LUCFHFDTWBDKKK-MRXNPFEDSA-N 380.357 -0.215 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCN1CCNC1=S 1648354950 NIQWCJGGLQKKBI-UHFFFAOYSA-N 379.398 -0.374 5 10 GBBE NC(=O)[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2nccc(N)c2[N+](=O)[O-])C1 2173846838 UKRPUWRAWPEHHQ-BQBZGAKWSA-N 376.295 -0.069 5 10 GBBE CN(C)S(=O)(=O)N1CC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 599501083 JCQSWBYFHLESOK-UHFFFAOYSA-N 378.432 -0.495 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N3CC(C(N)=O)C3)cc2[N+](=O)[O-])CC1 1644091890 LYAZMJHNCCAJOY-UHFFFAOYSA-N 375.385 -0.179 5 10 GBBE NC(=O)[C@@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])c(I)c1 2184140626 KZQUKDIOVMDKKE-SECBINFHSA-N 390.137 -0.011 5 10 GBBE C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3(C)CC[C@@H](OC1=O)[C@@]23O 255203446 CRWHRMSWJOLABX-OIMJGDGPSA-N 382.433 -0.370 5 10 GBBE in-vitro CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 283557776 OTHGBCVRJRWMJL-UHFFFAOYSA-N 394.431 -0.626 5 10 GBBE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 441206049 RRDBZXNRRKLDHQ-MQLXINIDSA-N 382.373 -0.423 5 10 GBBE Cn1cc([N+](=O)[O-])c(CNC(=O)[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)n1 2240657535 MLTVLQRQWXEVSI-WOPDTQHZSA-N 385.377 -0.714 5 10 GBBE C[C@H](O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 498774581 JGKZTHWVIFCEPF-NWDGAFQWSA-N 394.384 -0.156 5 10 GBBE C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1C 506553605 AZJIGODVLOTVFS-LLVKDONJSA-N 384.414 -0.048 5 10 GBBE O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCN1 513952835 FXNGKCJIBFFMNE-GFCCVEGCSA-N 396.425 -0.046 5 10 GBBE C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598630373 JIWXKPXOPIUFDY-GFCCVEGCSA-N 379.421 -0.222 5 10 GBBE O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 599889412 NTTXMHYDDBRDPU-UHFFFAOYSA-N 390.400 -0.297 5 10 GBBE CNC(=O)CN(CC(=O)NC)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 298433803 PAGYFHYLVBZXIY-UHFFFAOYSA-N 378.794 -0.269 5 10 GBBE NC(=O)[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ncnc(F)c2[N+](=O)[O-])C1 2162864708 GKHZENMGTJZRLZ-PHDIDXHHSA-N 380.258 -0.117 5 10 GBBE CN=c1[nH]cc([N+](=O)[O-])c(=NC[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)[nH]1 2234036727 UNWXFOSDOMNJLW-FBIMIBRVSA-N 384.393 -0.977 5 10 GBBE CC(=O)NCCNC(=O)[C@H](CC(N)=O)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330636256 OJKRLYNEWSFHJW-AWEZNQCLSA-N 391.384 -0.780 5 10 GBBE Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 267157401 FWZPEASHPDESLR-GJZGRUSLSA-N 383.426 -0.181 5 10 GBBE CN(CCCNC(=O)CN1CCc2ncc([N+](=O)[O-])cc2C1)S(C)(=O)=O 541619074 RNILPLVEHQGEMT-UHFFFAOYSA-N 385.446 -0.254 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)n1 1610177269 FIIXBCLQUWMGNN-UONOGXRCSA-N 384.414 -0.786 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC(N[C@H]2CCOC2)C1 1652690894 ORYNVSYTBJGEBK-NSHDSACASA-N 376.369 -0.091 5 10 GBBE C[C@@H](O)CNC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861125214 HGSGDOHHKMSGFR-QEGZFYDDSA-N 378.385 -0.145 5 10 GBBE CC(C)n1cnc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 593530754 LUGAQHBCWSGQNR-UHFFFAOYSA-N 388.388 0.450 5 10 GBBE O=C1CN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1 510941360 MXYIXJMWVKVDJJ-NSHDSACASA-N 379.373 -0.660 5 10 GBBE CNC(=O)[C@@H](C)NC(=O)[C@@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867794931 AMCSKGPYHCDRQY-MWLCHTKSSA-N 381.389 -0.998 5 10 GBBE O=C(NC[C@@H]1CNC[C@H]1O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 262357966 UZDROCHPALKYOX-NILFDRSVSA-N 398.441 -0.556 5 10 GBBE Nc1c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc(F)cc1[N+](=O)[O-] 299240773 VJRDBLIHIHQXGX-UHFFFAOYSA-N 395.391 -0.067 5 10 GBBE CN(CC(=O)N1CCOC[C@H]1CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1 769056792 FGQSKMRNTJVNMU-CYBMUJFWSA-N 387.414 -0.175 5 10 GBBE C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 841376231 QMWOGSSVUGYVHI-GXFFZTMASA-N 398.397 -0.075 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)NCC23COCCN2CCOC3)cc1[N+](=O)[O-] 1168939311 OOXLVYFIPDXOFU-UHFFFAOYSA-N 399.425 -0.171 5 10 GBBE O=C(NC[C@]12COCCN1C(=O)COC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 1535336073 OCLLDOXQZAYBED-MRXNPFEDSA-N 379.325 -0.319 5 10 GBBE CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867820630 FQLZTJNKBUQMOW-KWQFWETISA-N 397.344 -0.847 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 502732766 NMEAFLBHXSGXNE-KBPBESRZSA-N 384.414 -0.474 5 10 GBBE COc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] 599501842 XZXJQIFGBMWRSC-UHFFFAOYSA-N 394.431 -0.628 5 10 GBBE CC(=O)N[C@H](C)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860755092 PYDLVBAKEFVOOD-LLVKDONJSA-N 378.389 -0.721 5 10 GBBE Cc1n[nH]c(=NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)s1 1860765114 KPWZCTRWNPEBSE-UHFFFAOYSA-N 377.386 -0.141 5 10 GBBE C[C@@H](O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330632783 QAYKPIIBHUHHDI-BXUZGUMPSA-N 378.385 -0.145 5 10 GBBE CN(CC(=O)NC[C@H](O)[C@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 600237032 DUTRTSYTMIRYOD-UONOGXRCSA-N 387.414 -0.129 5 10 GBBE COC(=O)CC1(NCCn2cc([N+](=O)[O-])ccc2=O)CCS(=O)(=O)CC1 1338680897 GDFCCYAKEGOFNA-UHFFFAOYSA-N 387.414 -0.143 5 10 GBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1440640744 SGBVKRZJOVQDAC-QMMMGPOBSA-N 377.810 -0.084 5 10 GBBE O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2C[C@H](O)C[C@H]2C1 594236352 MLTRQJUDBAXXHA-UONOGXRCSA-N 398.441 -0.171 5 10 GBBE C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594742541 OKTPTXKBWVVMNA-NSHDSACASA-N 383.430 -0.037 5 10 GBBE COc1ccc(NC(=O)[C@@H](C)N2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1648413297 WQMWUWGYSIDILF-MNOVXSKESA-N 399.429 -0.235 5 10 GBBE NC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 1861030702 ZKONDURXLSKRJC-AWEZNQCLSA-N 393.400 -0.983 5 10 GBBE CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](CO)[C@@H](O)[C@@H]1OC(C)=O 44963910 USHWODHGXQXCCH-UYJHQMFVSA-N 384.341 -0.512 5 10 GBBE COC(=O)[C@H](CF)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 288489171 YPLKGEJBMFRHLC-NSHDSACASA-N 377.350 -0.157 5 10 GBBE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1328782869 HFEDUARKRQDSSC-JKSUJKDBSA-N 392.412 -0.148 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC(N[C@@H]2CCOC2)C1 1652690893 ORYNVSYTBJGEBK-LLVKDONJSA-N 376.369 -0.091 5 10 GBBE CN1CCOC[C@@H]1CNc1nc(NC[C@H]2COCCN2C)c([N+](=O)[O-])s1 599160081 DJRUDTXWNNOEEF-RYUDHWBXSA-N 386.478 0.536 5 10 GBBE CS(=O)(=O)N1CCN(c2ccc(C(=O)NCCCO)cc2[N+](=O)[O-])CC1 1860907839 FWCHBGKQOONTJQ-UHFFFAOYSA-N 386.430 -0.211 5 10 GBBE Cn1cc([N+](=O)[O-])c(CNC(=O)[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)n1 2240657533 MLTVLQRQWXEVSI-SDDRHHMPSA-N 385.377 -0.714 5 10 GBBE C[C@@H]1NCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1351581106 YHBVJRDTZUUORB-WDEREUQCSA-N 395.441 -0.193 5 10 GBBE COc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NC[C@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871706555 IAWMNHWTXDTCDN-VIFPVBQESA-N 391.388 -0.651 5 10 GBBE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 592439823 GHFQZKUTBPBGBL-NSHDSACASA-N 376.373 -0.715 5 10 GBBE C[C@H]1C(=O)N(CCN(C)C)CN1c1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598630374 JIWXKPXOPIUFDY-LBPRGKRZSA-N 379.421 -0.222 5 10 GBBE Cn1nnnc1CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 611315233 QJECHODDJKWNGA-UHFFFAOYSA-N 388.388 -0.172 5 10 GBBE NC(=O)[C@@H]1CN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CCO1 822892032 GVCFFCUHULCIPS-NSHDSACASA-N 384.295 -0.254 5 10 GBBE NC(=O)C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCCNC=O 1861130299 RTIJUCAKYRNDCA-KTRBRXNASA-N 391.384 -0.780 5 10 GBBE COC(=O)CNC(=O)c1ccc(N2CCN(CC(=O)OC)CC2)c([N+](=O)[O-])c1 486429800 AWHYSCIPSUCWPX-UHFFFAOYSA-N 394.384 -0.207 5 10 GBBE CCn1cc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])n1 509172764 UOYGKNMWIVSFLV-SNVBAGLBSA-N 395.463 -0.144 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595282928 SOMNVUOPXBSROZ-BMLIUANNSA-N 391.336 -0.120 5 10 GBBE CCOC(=O)CN1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599225286 JNMOCVFBDLWHAF-UHFFFAOYSA-N 375.407 -0.412 5 10 GBBE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 2358557456 JQSVATDGWDTPPM-WZRBSPASSA-N 385.377 -0.751 5 10 GBBE CNS(=O)(=O)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 265343368 QIICMLSQPTZSOR-VIFPVBQESA-N 378.432 -0.369 5 10 GBBE C[C@H](O)[C@H](NC(=S)NCCNC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 585859663 VANYHVKUHGFCAZ-ZANVPECISA-N 384.414 -0.448 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H]1CN2CCCN1CC2 597624484 AYNKLUBAECIWEL-GFCCVEGCSA-N 387.396 -0.303 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 599293212 SIHBXGGAMGHHTE-SNVBAGLBSA-N 393.447 -0.483 5 10 GBBE O=C(N[C@@H](CO)CN1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 820009906 AEWVQRGZDBZBRU-CQSZACIVSA-N 394.428 -0.146 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@H](O)[C@@H](C)O)cc2[N+](=O)[O-])CC1 1301672659 VTRQWUBBTSSJSH-BZNIZROVSA-N 380.401 -0.265 5 10 GBBE C[C@H]1CN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC(=O)N1C 410672747 IYHSTAVESQRKHV-NSHDSACASA-N 378.389 -0.356 5 10 GBBE CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594744861 BZCZRDYXPPZEAT-UHFFFAOYSA-N 379.420 -0.898 5 10 GBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCS(=O)(=O)C[C@@H]1CCO 1178394174 DCXDYOYLZYJSPV-ZDUSSCGKSA-N 382.398 -0.048 5 10 GBBE O=C(C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1326593806 CFPRWLSWUILCQN-BBFKWACYSA-N 393.425 -0.630 5 10 GBBE COC(=O)CCN1CCC[C@@H](OC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 1346725637 JUDAEYXPZHARGE-GFCCVEGCSA-N 381.341 -0.146 5 10 GBBE O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCN2[C@H](CNS2(=O)=O)C1 1654881773 LDDIFWMWNUQRTC-GFCCVEGCSA-N 397.413 -0.273 5 10 GBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C[C@@H]12 594883811 IXYUBJJMZXJRBQ-GDPRMGEGSA-N 377.400 -0.578 5 10 GBBE NC(=O)C[C@@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 863326596 PJONALQPCQWYGN-CYBMUJFWSA-N 377.357 -0.103 5 10 GBBE CN1CC[C@@](C)(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 1442198705 HYLNGFUYNSZZDO-HNNXBMFYSA-N 384.414 -0.142 5 10 GBBE C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1624457648 IBOUFOMBTJARHV-SNVBAGLBSA-N 385.398 -0.337 5 10 GBBE Cn1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cn3)CC2)c(=O)n(C)c1=O 1891086070 KUYPOSMMHLSMRL-UHFFFAOYSA-N 388.384 -0.214 5 10 GBBE O=C(N[C@@H](CO)CN1CCOCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 550244014 CGKCVSLGZLRZBI-GFCCVEGCSA-N 376.373 -0.402 5 10 GBBE CN(CC(=O)N1CCOCC1)C(=O)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 592349821 FWFPRBSVFJDXEW-UHFFFAOYSA-N 378.341 -0.180 5 10 GBBE CNS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 599524701 ZOCUETHYLWFLHJ-JTQLQIEISA-N 378.432 -0.060 5 10 GBBE CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](CNC(=O)OC(C)(C)C)C1 763475774 GYWIHLZUVKUNQS-LLVKDONJSA-N 383.409 -0.146 5 10 GBBE COC(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 1326878906 RHCFJCGPVGBKHU-LBPRGKRZSA-N 391.384 -0.340 5 10 GBBE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1nn(C)cc1[N+](=O)[O-] 1537470138 WPZVXIRFFOUIQC-UHFFFAOYSA-N 388.384 -0.167 5 10 GBBE O=CNCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861126083 JSWJNBNPQNLNQP-YFWHOBGESA-N 390.396 -0.178 5 10 GBBE CN=c1[nH]c(=NC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]cc1[N+](=O)[O-] 2358560254 NDFGRUIVUAZINT-INTQDDNPSA-N 384.393 -0.977 5 10 GBBE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 1136561764 WSKNDWOPKCCGCD-QLFBSQMISA-N 399.425 -0.758 5 10 GBBE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc([N+](=O)[O-])cc1 598909972 PLIYQDKZORJSCQ-RYUDHWBXSA-N 376.325 -0.097 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N3C[C@@H](O)[C@@H](CO)C3)cc2[N+](=O)[O-])CC1 1637679009 XSLFVGPKMICSHQ-RHSMWYFYSA-N 392.412 -0.312 5 10 GBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCO)cc1[N+](=O)[O-] 1861810392 WXDPGGUDDFBOBY-GWCFXTLKSA-N 382.329 -0.505 5 10 GBBE CN1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 294774478 RJCIUGSBOSFDCI-ZDUSSCGKSA-N 384.414 -0.142 5 10 GBBE CC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 506808437 XQXRFQHCKFQMNU-NSHDSACASA-N 384.414 -0.048 5 10 GBBE COC(=O)c1ccc(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] 593652298 AMWOKGTVMWJMGP-LLVKDONJSA-N 385.398 -0.179 5 10 GBBE O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCN2[C@H](CNS2(=O)=O)C1 1156622146 OXYFCUDKEJIWNQ-GFCCVEGCSA-N 392.397 -0.245 5 10 GBBE COc1nc(=NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)[nH]cc1[N+](=O)[O-] 2233972640 IDKJGAJFEKPUCG-IEBDPFPHSA-N 385.377 -0.432 5 10 GBBE CN1CCN(S(=O)(=O)c2ccc(N[C@H]3CCNC3=O)c([N+](=O)[O-])c2)CC1 596311534 MWHXDVVNMKKBDK-ZDUSSCGKSA-N 383.430 -0.169 5 10 GBBE NS(=O)(=O)c1ccc(C(=O)N2CC(CN3CCOCC3)C2)cc1[N+](=O)[O-] 597682415 OOBXKMZWRZKYBH-UHFFFAOYSA-N 384.414 -0.354 5 10 GBBE CN(CC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)c1ccccc1[N+](=O)[O-] 600729470 AAISZQKPXBHHJY-LBPRGKRZSA-N 386.430 -0.192 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCC1CS(=O)(=O)C1 1326163436 UPRTWEWURFJBFC-UHFFFAOYSA-N 383.382 -0.129 5 10 GBBE O=C1CN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C2(CN1)COC2 1537060145 ZYXCHAHFKKYFIA-UHFFFAOYSA-N 396.306 -0.239 5 10 GBBE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 1537469960 PHDPJJRJPNHEFG-UHFFFAOYSA-N 388.384 -0.318 5 10 GBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)n1 539025816 WBOGAVNIVLJELQ-UHFFFAOYSA-N 380.390 -0.424 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@@H]2C1 544581555 MRUITJFXPDOHKD-AWEZNQCLSA-N 398.441 -0.194 5 10 GBBE CNC(=O)CN1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 1456035693 IDSNQPJNTLNQPJ-UHFFFAOYSA-N 391.428 -0.005 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 265338118 XRZICPJFIOASIM-VIFPVBQESA-N 379.416 -0.084 5 10 GBBE COC(=O)[C@]1(N2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)CCOC1 1329279517 ZDZSLIWCXXHCCP-KRWDZBQOSA-N 380.401 -0.294 5 10 GBBE CN1CC(N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)C1 1350550395 OWMZKPNUNNSTEG-UHFFFAOYSA-N 389.412 -0.222 5 10 GBBE COCCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1626882704 QLMOJPCXUWOQRE-LBPRGKRZSA-N 387.414 -0.191 5 10 GBBE CN(C)C[C@@]1(O)CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1644123297 AGHHVQLIHZAIKS-HNNXBMFYSA-N 386.430 -0.602 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 22357830 PONFNZMYJAGAIE-CYBMUJFWSA-N 378.385 -0.146 5 10 GBBE CN(C)S(=O)(=O)N1CCC[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 518172268 PJSAFTIZDLDVFK-DGCLKSJQSA-N 376.439 -0.987 5 10 GBBE O=C1CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)C2(CN1)COC2 1439045820 GPLBOEUKRWVHAF-JTQLQIEISA-N 392.343 -0.186 5 10 GBBE CS(=O)(=O)C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 1617933151 GNSGQYKBTXYFEZ-CQSZACIVSA-N 399.425 -0.013 5 10 GBBE C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC(=O)N1C 297590649 AZTIBYUHBWZELU-LBPRGKRZSA-N 390.400 -0.673 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)n1 427783892 WQGOAFAEMLVSSF-UHFFFAOYSA-N 380.405 -0.572 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 609542477 CGCKLBPAAXPQTM-NSHDSACASA-N 388.377 -0.251 5 10 GBBE O=C(N[C@@H](CO)CN1CCOCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 773371158 SQHOOTXADRZYOY-MLGOLLRUSA-N 378.385 -0.103 5 10 GBBE O=C1CO[C@@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2N1 1129611640 BGHZGGILPDMIBT-ZIAGYGMSSA-N 376.369 -0.169 5 10 GBBE CCON(C)C(=O)CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1349752509 HGBJWRWPNNULPL-UHFFFAOYSA-N 380.357 -0.290 5 10 GBBE O=[N+]([O-])c1ccc(-c2noc(CN3CCN4[C@H](CNS4(=O)=O)C3)n2)cc1 1473821260 MTQDWPZDKRLVDF-GFCCVEGCSA-N 380.386 -0.021 5 10 GBBE C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C 1629591136 PBOBMSURERJOKI-GXFFZTMASA-N 385.446 -0.394 5 10 GBBE NC(=O)CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCCO 1861125427 XDOMLLHTWSFBAU-LHRNQBEKSA-N 378.385 -0.143 5 10 GBBE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ncc([N+](=O)[O-])cc1C(N)=O 2286184772 YPIMXRLTLPVJIQ-UHFFFAOYSA-N 385.377 -0.251 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(S(=O)(=O)NC2CCCC2)C1 376270415 OPTKACHGAAYGSU-UHFFFAOYSA-N 384.414 -0.171 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)cc1[N+](=O)[O-] 591833181 VANMACFRVFBJGS-LBPRGKRZSA-N 387.414 -0.579 5 10 GBBE COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 619484387 RDVKIXAOFFULQD-VIFPVBQESA-N 379.416 -0.084 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc(O)nc2)CC1 1626322549 OQQFFMRZDYGXCI-UHFFFAOYSA-N 387.352 -0.158 5 10 GBBE CC(=O)NCCN=c1nc(N(C)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521677 PZGSMDAAGMMAHK-UHFFFAOYSA-N 390.404 -0.656 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 427858903 UMCMSQMRJVLQJJ-LBPRGKRZSA-N 380.405 -0.526 5 10 GBBE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 592439821 GHFQZKUTBPBGBL-LLVKDONJSA-N 376.373 -0.715 5 10 GBBE CNC(=O)[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 809840800 ZYBUKDMFVJIZAG-QMMMGPOBSA-N 382.192 -0.258 5 10 GBBE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 1136561763 WSKNDWOPKCCGCD-KFWWJZLASA-N 399.425 -0.758 5 10 GBBE O=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 15928278 ZOQZQGKFBTWCTL-CYBMUJFWSA-N 382.398 -0.294 5 10 GBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 65836104 NCVXXUZXCRGUPF-UHFFFAOYSA-N 380.405 -0.897 5 10 GBBE O=C(N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@]1(O)CCOC1 413034893 NIYZATMWIXERBQ-HNNXBMFYSA-N 385.398 -0.421 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] 463484836 UZPUPQIVWQHGGB-CQSZACIVSA-N 377.401 -0.116 5 10 GBBE Cc1c(C(=O)NCCNC(=S)N[C@@H](C(=O)O)[C@@H](C)O)cccc1[N+](=O)[O-] 585861014 MUMKGJJUQHMBAT-BXKDBHETSA-N 384.414 -0.069 5 10 GBBE CC(=O)N[C@H]1C(=O)N=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)NC1=O 104611085 UANBBFYDNCXFKC-UHFFFAOYSA-N 379.354 -0.216 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 599661418 BRLWUSBWWXCEFI-KGLIPLIRSA-N 389.430 -0.416 5 10 GBBE O=C1OC[C@H]2CN(C(=O)C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]12 1329798183 NPEDFFFYXXHRSB-IUODEOHRSA-N 388.380 -0.125 5 10 GBBE C[C@H](O)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 1556996326 YAGDJBQFCHJSDC-FZMZJTMJSA-N 387.414 -0.177 5 10 GBBE C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C 1565834644 YNWBATKVRCWKEF-JSGCOSHPSA-N 399.473 -0.376 5 10 GBBE COc1ccc(CC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] 600735027 LYOROHBZIWKEOG-GFCCVEGCSA-N 387.414 -0.078 5 10 GBBE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1556920448 SJCJPAJJMYSQQA-QJPTWQEYSA-N 380.405 -0.057 5 10 GBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCNC1=O 1643005284 OCXLHJOWBCWKCX-CYBMUJFWSA-N 384.414 -0.142 5 10 GBBE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 495955398 WQBMAOCUXFHDIV-XEQNPHJVSA-N 393.352 -0.292 5 10 GBBE COC[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 531259840 DNJJVHPZUDSESD-HNNXBMFYSA-N 387.414 -0.175 5 10 GBBE COC(=O)[C@@](C)(NC(=O)CN1CC(=O)N(C)C1=O)c1cccc([N+](=O)[O-])c1 600523298 OKSFCPZJIOZQDY-INIZCTEOSA-N 378.341 -0.007 5 10 GBBE CN(C[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1)S(C)(=O)=O 1449330749 OOXIGGATCYFLOC-LBPRGKRZSA-N 386.430 -0.114 5 10 GBBE COc1ccc(CC(=O)NC[C@@]23COCCN2C(=O)COC3)cc1[N+](=O)[O-] 1535335214 GHFURQUDNVRMHL-KRWDZBQOSA-N 379.369 -0.110 5 10 GBBE CCN=c1[nH]cc([N+](=O)[O-])c(=NCC(CO)(CO)NC(=O)OC(C)(C)C)[nH]1 2286182892 PLDDERWLIIKQBC-UHFFFAOYSA-N 386.409 -0.680 5 10 GBBE C[C@@H]1COCCN1S(=O)(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 41240389 SXKNQJSOPKRDKE-LLVKDONJSA-N 393.443 -0.076 5 10 GBBE Cc1c(C(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@H](C)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861793340 JGNIODHNBBCBCP-UPLXVJCVSA-N 396.356 -0.116 5 10 GBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 29386747 MBROMBOLROUAST-UHFFFAOYSA-N 387.418 -0.732 5 10 GBBE CN(CC(=O)N1CCOCC1)C(=O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 299237427 UJCWSPWANPVGSK-UHFFFAOYSA-N 385.398 -0.314 5 10 GBBE COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1[N+](=O)[O-] 416440304 CSJHCFKDSZMHOL-AWEZNQCLSA-N 375.403 -0.028 5 10 GBBE O=C(N1CCNCC1)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 599100873 IYPPHZQAOAIDSE-UHFFFAOYSA-N 384.418 -0.679 5 10 GBBE O=C1NCC[C@H]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1349830374 BREYVFCCBAVJDV-LBPRGKRZSA-N 396.425 -0.046 5 10 GBBE O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN2[C@@H](CNS2(=O)=O)C1 1472884413 BKHNXEZPCJIUSL-LBPRGKRZSA-N 381.414 -0.174 5 10 GBBE O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CC2)C(=O)C1 1326570868 BTALZYNPVMJZRA-UHFFFAOYSA-N 376.369 -0.077 5 10 GBBE O=C(CN1CCOC1=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1628340420 OCADZUPEMQKBQC-UHFFFAOYSA-N 398.397 -0.120 5 10 GBBE CN(CC(=O)NC[C@@H]1CCCNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1632767420 LRAMBDYFGBXWNU-NSHDSACASA-N 384.414 -0.142 5 10 GBBE Cc1c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCO)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861795375 WBKPGJZYGBSNDZ-ZWNOBZJWSA-N 382.329 -0.505 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)c([N+](=O)[O-])c1 425295865 QOTRRGYTXDDCRJ-NSHDSACASA-N 387.414 -0.579 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)N[C@@H](CO)C(=O)O)c1 585861163 OHWPHWSABCBOTO-JTQLQIEISA-N 386.386 -0.757 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 599505890 CCDZABACXJRYCT-LLVKDONJSA-N 379.416 -0.467 5 10 GBBE C[C@@H]1NC(=O)[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C 1631791565 HCGDHUNVUHPNGV-GARJFASQSA-N 384.414 -0.003 5 10 GBBE Cc1ccc(=NCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[nH]n1 1890924202 LBXHHIUPSAPQCE-UHFFFAOYSA-N 384.352 -0.061 5 10 GBBE O=C(CN1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1)N1CCCC1 594745010 RGYSIDWJHGNQDP-UHFFFAOYSA-N 383.430 -0.082 5 10 GBBE O=C(CN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 823877333 ZXVAEKWIXVNIHG-QGZVFWFLSA-N 392.412 -0.369 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)n1 1143326986 OYEPDUVZGDWFSQ-ZIAGYGMSSA-N 384.414 -0.474 5 10 GBBE CN1CCN(C(=O)CS(=O)(=O)c2ccc([S@@](C)=O)cc2[N+](=O)[O-])CC1 25315206 SDHKMRFCEGSILM-DEOSSOPVSA-N 389.455 -0.120 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H](O)CN1CCOCC1 269760795 CCGNUPSYGUVDEV-CYBMUJFWSA-N 389.430 -0.083 5 10 GBBE O=C(CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1)N1CCOCC1 507773324 RVLMZABJCWFIQU-UHFFFAOYSA-N 379.417 -0.767 5 10 GBBE O=C1C[C@@H](CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 596641702 ADHUOXULRRQRBT-NSHDSACASA-N 382.398 -0.294 5 10 GBBE CN(C)c1ncc(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1C 1136661051 PMPOESBCZMPCEH-UHFFFAOYSA-N 396.429 -0.011 5 10 GBBE CNC(=O)NC[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCO1 1328768348 DJQCJLFQQBDIEH-ZDUSSCGKSA-N 393.400 -0.290 5 10 GBBE COC(COCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OC 1633152976 MGJWTRCQUUFIKJ-UHFFFAOYSA-N 381.341 -0.058 5 10 GBBE O=C(C(=O)N1CC[C@H]2NCC[C@@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423594626 OIFSHNYTNVBSGD-ZIAGYGMSSA-N 388.428 -0.151 5 10 GBBE C[C@@H]1C(=O)N(C)CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 428577323 DNLMVTPJKRNGPQ-LLVKDONJSA-N 384.414 -0.048 5 10 GBBE C[C@@H](O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 498774583 JGKZTHWVIFCEPF-VXGBXAGGSA-N 394.384 -0.156 5 10 GBBE O=C(O)C[C@@H](NC(=S)NCCNC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 585859092 RLPXYDHOBHREOZ-SNVBAGLBSA-N 398.397 -0.355 5 10 GBBE CN(CC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 593870276 NWAJFXRXMJDULC-CTRJTCCGSA-N 387.439 -0.053 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[S@@]2=O 593871555 UNFHTWCRVQMDDJ-CTRJTCCGSA-N 387.439 -0.005 5 10 GBBE C[C@@H](O)[C@@H](O)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1187182995 RHQIZDSNPJYMFJ-ABAIWWIYSA-N 388.446 -0.316 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)nc1 1327296496 HZHDNUULKYQGEU-WDEREUQCSA-N 377.400 -0.434 5 10 GBBE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 598007750 YBVXPBGKLRUJQP-ZUZCIYMTSA-N 379.325 -0.233 5 10 GBBE CN1CCO[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1=O 1540820700 FOPACGFWINCYAL-GFCCVEGCSA-N 382.398 -0.202 5 10 GBBE O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CN([C@@H]2CCOC2)C1 1583880518 QISZHCSUAKELGM-CQSZACIVSA-N 398.441 -0.290 5 10 GBBE C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1624457647 IBOUFOMBTJARHV-JTQLQIEISA-N 385.398 -0.337 5 10 GBBE C[C@@H](O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330592456 HGSGDOHHKMSGFR-BXUZGUMPSA-N 378.385 -0.145 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 517690499 WDELFTCUFDOBJJ-LBPRGKRZSA-N 384.414 -0.081 5 10 GBBE O=C(NCCNC(=S)N1CCN(CCO)CC1)c1ccc([N+](=O)[O-])cc1 585844704 LKUGKAQPTDHSJJ-UHFFFAOYSA-N 381.458 -0.191 5 10 GBBE COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2[C@@H](CNS2(=O)=O)C1 1644632714 DORKOSBAOWHLST-NSHDSACASA-N 385.402 -0.624 5 10 GBBE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 1655803148 XYIVXHXYGDJATB-AWEZNQCLSA-N 376.369 -0.201 5 10 GBBE CS(=O)(=O)N1CCO[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 116883599 GJTFENYADYCCOD-SECBINFHSA-N 394.431 -0.686 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC1(N2CCOCC2)CCOCC1 1626099933 DDLKMRBRQGCYJQ-UHFFFAOYSA-N 380.401 -0.246 5 10 GBBE NC(=O)C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCCNC=O 1861130300 RTIJUCAKYRNDCA-YBJDMEARSA-N 391.384 -0.780 5 10 GBBE O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@H]1COCCN1CC(F)F 798838730 RCPZNCJDCSPHHY-SECBINFHSA-N 380.329 -0.239 5 10 GBBE NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1292521938 MQWSMYJWBLFYJC-ZDUSSCGKSA-N 377.401 -0.303 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)NCCN(C)CCO)cc2[N+](=O)[O-])CC1 1303625881 KOSUPQLTFWFXRX-UHFFFAOYSA-N 393.444 -0.083 5 10 GBBE CC1(OCC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CNC1 592481005 RZYHZYNWKLYBHF-UHFFFAOYSA-N 386.430 -0.095 5 10 GBBE O=C1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCOC2)CCN1 1505358343 LANSIAIYKKPBOH-QGZVFWFLSA-N 388.384 -0.059 5 10 GBBE CCN1CCN([C@@H](C)CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 1292988549 ZAXRTDFVKRTXHQ-LBPRGKRZSA-N 399.473 -0.002 5 10 GBBE C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 1325305755 OXDUQZNIHJKDJA-ABAIWWIYSA-N 379.369 -0.207 5 10 GBBE O=[N+]([O-])c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(S(=O)(=O)N2CCOCC2)c1 751961690 LJFDFCNDKUIMEY-BETUJISGSA-N 387.414 -0.452 5 10 GBBE CN1CCN(C(=O)N2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)CC1 1627214828 NDKCQQDYLNKQMU-UHFFFAOYSA-N 377.405 -0.303 5 10 GBBE O=C(NCC(=O)N1CCN2CCOC[C@H]2C1)NCc1ccc([N+](=O)[O-])cc1 543604979 HVSOZJSAOMFHDW-OAHLLOKOSA-N 377.401 -0.063 5 10 GBBE C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 1325305756 OXDUQZNIHJKDJA-IAQYHMDHSA-N 379.369 -0.207 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)n1 1348151394 CFSBRJQGGXVIRM-LBPRGKRZSA-N 378.432 -0.082 5 10 GBBE C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 410742437 IBDSZMORHJEMKF-OLZOCXBDSA-N 377.401 -0.132 5 10 GBBE CCOc1cc(N2CCN(C(=O)C(=O)NCC3CNC3)CC2)ccc1[N+](=O)[O-] 419916848 AJCUTHQDHOOANW-UHFFFAOYSA-N 391.428 -0.022 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@H]2COC[C@@H](C1)O2 514226291 SACYTSUGEPGMEZ-BETUJISGSA-N 385.398 -0.111 5 10 GBBE CN(C)CC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 593901634 FXQLWGPWMUMLGN-HNNXBMFYSA-N 399.473 -0.293 5 10 GBBE CNS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 598584811 WMVDEGGYCVWTJR-UHFFFAOYSA-N 392.459 -0.550 5 10 GBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1135633439 VTQRVPPVARCHSI-HUUCEWRRSA-N 383.426 -0.041 5 10 GBBE CN(CC(=O)N1CCN2C[C@H](O)C[C@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 594392468 GYPZRKOKKLCKPX-UONOGXRCSA-N 398.441 -0.507 5 10 GBBE Cc1cc(S(=O)(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] 599508409 WZZUWEWISHBYML-NSHDSACASA-N 393.443 -0.158 5 10 GBBE COc1ccc(CC(=O)NC[C@]23COCCN2C(=O)COC3)cc1[N+](=O)[O-] 1535335220 GHFURQUDNVRMHL-QGZVFWFLSA-N 379.369 -0.110 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CN1CCOC1=O 1639894838 NRBVBRGAKFSDQE-UHFFFAOYSA-N 386.386 -0.216 5 10 GBBE O=C(N[C@@H](CS(=O)(=O)N1CC([N+](=O)[O-])C1)C(=O)O)OCc1ccccc1 2244228167 ALNNRSVAUOUREM-LBPRGKRZSA-N 387.370 -0.343 5 10 GBBE NC(=O)C1(O)CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 1642836975 XIKDQSDBICOFCI-UHFFFAOYSA-N 391.121 -0.128 5 10 GBBE CCN=c1nc(N2CCN(C(=O)c3cc([N+](=O)[O-])c(=O)n(C)c3)CC2)cc[nH]1 1890048263 XCHAOTKUCHLEIL-UHFFFAOYSA-N 387.400 -0.100 5 10 GBBE COc1nc(CNC(=O)c2ccc([N+](=O)[O-])cn2)nc(N2CCOCC2)n1 1890781120 QEWGZSIVQVSMET-UHFFFAOYSA-N 375.345 -0.050 5 10 GBBE O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c2nonc12 914863606 WJZLCSGPASAPLK-UHFFFAOYSA-N 398.401 -0.170 5 10 GBBE C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@+]3(C)CC[C@@H](OC1=O)[C@]23O 1615813474 CRWHRMSWJOLABX-NIUHOJNCSA-N 382.433 -0.370 5 10 GBBE biogenic CC(=O)N1CCN(c2ccc(C(=O)N[C@H](CO)[C@@H](C)O)cc2[N+](=O)[O-])CC1 1641637482 XFRBEJHUVBAIDE-BXUZGUMPSA-N 380.401 -0.265 5 10 GBBE NC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCn1ccnc1 1861030245 NQUMAAWRUJYVQH-AWEZNQCLSA-N 388.384 -0.028 5 10 GBBE CN(C)c1nccc(N2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 471193307 FOTICCYAHSREMQ-CQSZACIVSA-N 376.421 -0.170 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN2C[C@H](O)C[C@H]2C1 594392527 HNIVJDRZGJQNJA-QWHCGFSZSA-N 376.369 -0.402 5 10 GBBE CN(CC(=O)NC[C@@H](O)[C@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 600237033 DUTRTSYTMIRYOD-ZIAGYGMSSA-N 387.414 -0.129 5 10 GBBE CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](CO)C1 1647905952 XAJAJZHJZLRQGW-ZDUSSCGKSA-N 386.430 -0.602 5 10 GBBE CS(=O)(=O)N[C@@H]1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 522628657 WTVLMJYXHZLWPJ-ZWNOBZJWSA-N 382.398 -0.150 5 10 GBBE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2c([N+](=O)[O-])cnn2C)C1 766971027 FJRHMJKLRNPSMN-LBPRGKRZSA-N 383.405 -0.042 5 10 GBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ncc1Br 1306901734 JIGMGZGNJZCRRX-LURJTMIESA-N 382.192 -0.112 5 10 GBBE Cn1c(O)nc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1=O 1654879429 FTJMAEZRAMOUOU-UHFFFAOYSA-N 395.397 -0.095 5 10 GBBE COCCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1585117789 WEVUVQSIQCGWRN-UHFFFAOYSA-N 386.430 -0.336 5 10 GBBE CC(=O)NCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc([N+](=O)[O-])cc1 1861038223 UYTSNDAOKDSODW-ZDUSSCGKSA-N 379.373 -0.789 5 10 GBBE O=C(Nc1ccc(I)cc1[N+](=O)[O-])[C@@H]1NC[C@@H](O)[C@@H]1O 2201159829 GDIUBWWOCHIXLA-BBBLOLIVSA-N 393.137 -0.169 5 10 GBBE Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 267157405 FWZPEASHPDESLR-LSDHHAIUSA-N 383.426 -0.181 5 10 GBBE C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1C 282470874 USNSRQKOERJSTF-NSHDSACASA-N 384.414 -0.096 5 10 GBBE CN1CC[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)S1(=O)=O 592597566 AKCXHAOLTOEXPJ-CQSZACIVSA-N 396.425 -0.087 5 10 GBBE COC(=O)[C@@](C)(NC(=O)CN1C(=O)CN(C)C1=O)c1cccc([N+](=O)[O-])c1 600529159 PFSBCQDCQGLJSY-INIZCTEOSA-N 378.341 -0.007 5 10 GBBE CN(C)S(=O)(=O)c1ccc(N2CC3(C[C@@H](O)CNC3=O)C2)c([N+](=O)[O-])c1 1640412383 YPBLGEGMDXNVJD-SNVBAGLBSA-N 384.414 -0.468 5 10 GBBE O=C(O)CNC(=O)CNC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1859456681 ZHEGHEVRXXOIJY-UHFFFAOYSA-N 392.324 -0.712 5 10 GBBE Cc1sc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1[N+](=O)[O-] 299591538 DDJGQUPCJSURKR-NEPJUHHUSA-N 389.455 -0.120 5 10 GBBE C[C@H]1CN(CCO)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 457138961 WMFQTNAYWWQHDF-LBPRGKRZSA-N 378.385 -0.155 5 10 GBBE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2c([N+](=O)[O-])cnn2C)C1 766971026 FJRHMJKLRNPSMN-GFCCVEGCSA-N 383.405 -0.042 5 10 GBBE CC(C)N1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 1617671526 BFGJZGNRDBJCDR-LLVKDONJSA-N 384.414 -0.001 5 10 GBBE Cc1nnc2ccc(N3CCN(C[C@@H](O)Cn4cc([N+](=O)[O-])cn4)CC3)nn12 174781554 PESHREXGDNGLBE-CQSZACIVSA-N 387.404 -0.279 5 10 GBBE CN1CCOC[C@@H]1CNc1nc(NC[C@@H]2COCCN2C)sc1[N+](=O)[O-] 599160080 DJRUDTXWNNOEEF-NWDGAFQWSA-N 386.478 0.536 5 10 GBBE CN(CC(=O)N1CC(N[C@@H]2CCOC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1647773382 SVORJNVDPBCMLR-GFCCVEGCSA-N 398.441 -0.195 5 10 GBBE O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(O)ccc1[N+](=O)[O-] 375748761 KTGZPBDVNSUAKQ-GFCCVEGCSA-N 378.385 -0.037 5 10 GBBE C[C@@H]1C/C(=C\CO)C(=O)O[C@@H]2CC[N@@+]3(C)CC=C(COC(=O)[C@]1(C)O)[C@]23O 606575516 SFTHPGHXDNRVHD-OADAEXEVSA-N 382.433 -0.370 5 10 GBBE CS(=O)(=O)N1CCC(NC(=O)Cn2cc(Cl)cc([N+](=O)[O-])c2=O)CC1 1640994689 HSRXYKDWIULHTD-UHFFFAOYSA-N 392.821 -0.050 5 10 GBBE Cn1cnnc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)C1 1748043658 BXDMMQFIDNIYLT-UHFFFAOYSA-N 383.372 -0.034 5 10 GBBE O=C(O)CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CS(=O)(=O)C[C@H]1O 1866330134 FJHMWXQWYUYBPL-WDEREUQCSA-N 392.773 -0.067 5 10 GBBE CNC(=O)[C@H](C)NC(=O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867781770 HLLLNQTYZKLCLQ-NSHDSACASA-N 393.400 -0.588 5 10 GBBE C[C@H](O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330592457 HGSGDOHHKMSGFR-FZMZJTMJSA-N 378.385 -0.145 5 10 GBBE Cn1c(O)ncc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=O 267586525 KAKRTLFPTGJJEC-UHFFFAOYSA-N 387.352 -0.008 5 10 GBBE CN1CCOC[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 600422348 VDIJRNRYXARMAO-ZDUSSCGKSA-N 386.430 -0.290 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1320380033 AYKPXEZKXFHOCO-UONOGXRCSA-N 384.414 -0.786 5 10 GBBE O=CNCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861126084 JSWJNBNPQNLNQP-YOSLTCIPSA-N 390.396 -0.178 5 10 GBBE CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)c([N+](=O)[O-])c1 283678908 FYQBQABXKNIIPC-NSHDSACASA-N 398.397 -0.245 5 10 GBBE CN(C)S(=O)(=O)CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 577652760 YNQLPALZCMOEJE-UHFFFAOYSA-N 384.414 -0.229 5 10 GBBE NC(=O)COc1nonc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1872676192 QIVZRIUEWXBWQA-UHFFFAOYSA-N 376.329 -0.196 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CN2CCCN1CC2 590355422 WZLZJPRIVABXJY-CQSZACIVSA-N 389.412 -0.174 5 10 GBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@]1(CO)COCCN1Cc1ccccc1 598364128 KYCBIIZUFUHJFX-QGZVFWFLSA-N 390.400 -0.434 5 10 GBBE CN(C)C(=O)CCN1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598604989 RHWXQYNDUIINNN-UHFFFAOYSA-N 393.448 -0.178 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2)n1 599219494 NLDXZRTVYIYBHJ-UHFFFAOYSA-N 380.386 -0.130 5 10 GBBE O=C1O[C@H]2CNC[C@H]2N1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 858617729 JJFVFYBWWRJFHR-OLZOCXBDSA-N 397.413 -0.065 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC1CN(c2cnccn2)C1 1891291557 TYISIRBCZZMUDT-UHFFFAOYSA-N 382.336 -0.014 5 10 GBBE NC(=O)[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ccc([N+](=O)[O-])c(N)n2)C1 2173845677 LMSYJRZVZDNJLR-RQJHMYQMSA-N 376.295 -0.069 5 10 GBBE C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN1CCO 428513326 FYKQOFWXBIKJED-GFCCVEGCSA-N 378.385 -0.155 5 10 GBBE CCOC(=O)[C@@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 1333746229 QXWIQOSONXBAJT-AWEZNQCLSA-N 395.368 -0.120 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1464504259 NNYQHSJLFWEUGB-CHWSQXEVSA-N 399.425 -0.049 5 10 GBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 501532810 OOSBXPXCPPZVIN-GJZGRUSLSA-N 399.411 -0.099 5 10 GBBE C[C@@H](O)[C@@H](NC(=S)NCCNC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 585859657 VANYHVKUHGFCAZ-NOZJJQNGSA-N 384.414 -0.448 5 10 GBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC[C@H]1CNS(C)(=O)=O 600734816 KVEVZPNGPLGNCW-LLVKDONJSA-N 375.407 -0.734 5 10 GBBE Cn1c(=O)c([N+](=O)[O-])c(N2CCN3[C@H](CNS3(=O)=O)C2)c2ccccc21 1559287391 PBXJKKUDHYJLCL-SNVBAGLBSA-N 379.398 -0.215 5 10 GBBE NCCCC[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1866024002 MAHNGOMNUWPAMH-SNVBAGLBSA-N 378.341 -0.111 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCCS1(=O)=O 60925004 OVMWEMRIPHRAJU-UHFFFAOYSA-N 379.416 -0.083 5 10 GBBE CNC(=O)NC[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCO1 599129951 WMJWWFHHOWSWHX-LLVKDONJSA-N 381.393 -0.644 5 10 GBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCOC[C@H]1CNS(C)(=O)=O 599508515 YTYCBNOKISHDSP-LLVKDONJSA-N 393.443 -0.158 5 10 GBBE C[C@@H]1CN(C)C(=O)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 783759678 VPSNDHUEMOIZSH-LLVKDONJSA-N 384.414 -0.048 5 10 GBBE Cn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cn1 1261794080 DIPXLECPWJAUOW-BUBHHJDNSA-N 388.431 -0.444 5 10 GBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1623784247 ZHQVBAWMUKYCHM-UHFFFAOYSA-N 377.401 -0.206 5 10 GBBE CC(C)NS(=O)(=O)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1626230721 TYKULTCGFXPCRL-UHFFFAOYSA-N 387.418 -0.857 5 10 GBBE NC(=O)[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ccc(N)c([N+](=O)[O-])n2)C1 2173843574 DJAWFWLTUSQGMA-NKWVEPMBSA-N 376.295 -0.069 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)N(CCN2CCN(C)CC2)CC(=O)OC)n1 410171379 LOFPVDFWLBJAIY-UHFFFAOYSA-N 382.421 -0.326 5 10 GBBE Cn1cc(S(=O)(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c(=O)n(C)c1=O 460495099 JBRWTRMQMGPTMD-UHFFFAOYSA-N 381.370 -0.866 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 502732769 NMEAFLBHXSGXNE-ZIAGYGMSSA-N 384.414 -0.474 5 10 GBBE O=C(O)C[C@H](NC(=S)NCCNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 585859642 UVWHGWZMFFTJIZ-JTQLQIEISA-N 384.370 -0.283 5 10 GBBE COC(=O)[C@]1(N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3O)CC2)CCOC1 1331883128 LUCFHFDTWBDKKK-INIZCTEOSA-N 380.357 -0.215 5 10 GBBE CNc1nc[nH]c(=NC[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 2234038351 ZFYSXWLTWABKSF-FXPVBKGRSA-N 384.393 -0.399 5 10 GBBE O=C1NC[C@H]2CN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)CCN2C1=O 848585329 OEKICGRRZYUZDH-JTQLQIEISA-N 384.295 -0.264 5 10 GBBE COC(=O)CNC(=O)CCNC(=O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1 1867349511 UBYZHBFRKLFXLJ-UHFFFAOYSA-N 394.384 -0.101 5 10 GBBE CN(C)S(=O)(=O)c1ccc(N2CCn3nnc(CO)c3C2)c([N+](=O)[O-])c1 578026232 MXKYZBVPNNNNRL-UHFFFAOYSA-N 382.402 -0.051 5 10 GBBE CN(CC(=O)N[C@H](CO)[C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1137912840 BLOIFOQHTLDFAS-SMDDNHRTSA-N 387.414 -0.271 5 10 GBBE COC(=O)[C@@]1(N2CCN(C(=O)CCn3cc([N+](=O)[O-])nc3C)CC2)CCOC1 1331805201 GZMPXOQRMYCGSO-QGZVFWFLSA-N 395.416 -0.034 5 10 GBBE CNC(=O)[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1638449284 KLBUCKFXJODORF-LLVKDONJSA-N 384.414 -0.142 5 10 GBBE O=C(CN1CCS(=O)(=O)C[C@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 1660258604 BDVVKJLRTHRHII-CQSZACIVSA-N 383.426 -0.035 5 10 GBBE CC(=O)NCCNC(=O)[C@H](CC(N)=O)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861125970 LWJRZPPVZJRGHC-GBXSZLQWSA-N 391.384 -0.780 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 298530481 ZYBFCFPMMUEONT-UHFFFAOYSA-N 386.430 -0.002 5 10 GBBE C[C@@H](O)[C@H](NC(=O)CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O 526917133 UYNSHSSKJTUFOH-OQPBUACISA-N 398.328 -0.037 5 10 GBBE O=C1NCC[C@@H]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1349830373 BREYVFCCBAVJDV-GFCCVEGCSA-N 396.425 -0.046 5 10 GBBE O=C(C1=NN(CCO)C(=O)CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1595482526 IALZPCRLJLOPGL-UHFFFAOYSA-N 376.373 -0.391 5 10 GBBE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 495955397 WQBMAOCUXFHDIV-RPVFDAQASA-N 393.352 -0.292 5 10 GBBE CN(CC(=O)N1C[C@H]2COC[C@@H](C1)O2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 558723609 RZAPLJZBFWXUPG-BETUJISGSA-N 385.398 -0.159 5 10 GBBE CN1CC[C@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)S1(=O)=O 592633732 CUFLAHPBWHFIMN-CQSZACIVSA-N 396.425 -0.087 5 10 GBBE Cc1nn(CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n1C 844707711 ISYHVKALCIYWHB-UHFFFAOYSA-N 384.418 -0.334 5 10 GBBE O=C(C(=O)N1CC(F)(F)C[C@@H]1CO)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1325144949 KSVJLEJDOKHBBT-GFCCVEGCSA-N 399.354 -0.133 5 10 GBBE C[C@H]1CN([C@@H](C)CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 1330002798 QZHVKQUJBSVWMZ-RWMBFGLXSA-N 382.421 -0.479 5 10 GBBE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CO)CN1CCOCC1 508339269 KNGVEJLRZQYVHB-OLZOCXBDSA-N 384.437 -0.363 5 10 GBBE CC(C)CO[C@H](CC(=O)NC1CCN(S(N)(=O)=O)CC1)C[N+](C)(C)C 1853381266 SJHKDGSCUMYYHC-OAHLLOKOSA-O 379.547 -0.092 5 10 GBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]12 594884657 UKOYXENBKVIVPN-AXFHLTTASA-N 377.400 -0.578 5 10 GBBE CN(C)C(=O)[C@H]1CCCN1CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599227069 QPXGUQJALLTHAC-LLVKDONJSA-N 388.450 -0.451 5 10 GBBE COC(=O)c1cc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc([N+](=O)[O-])c1 600710071 NZQCGUUKMBWHNJ-UHFFFAOYSA-N 386.386 -0.398 5 10 GBBE O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 774967355 FPMVAJHMVQKLHU-ZETCQYMHSA-N 379.251 -0.148 5 10 GBBE C[C@H]1CCNC[C@@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 420145588 PHLIXQWAEOQGJK-STQMWFEESA-N 376.417 -0.247 5 10 GBBE O=C(NCCCn1ccnn1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 571948978 ZERSXGJWKSGMHY-UHFFFAOYSA-N 388.388 -0.564 5 10 GBBE O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CN([C@H]2CCOC2)C1 1583880514 QISZHCSUAKELGM-AWEZNQCLSA-N 398.441 -0.290 5 10 GBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 500969707 JMYQAOADUABVCX-UHFFFAOYSA-N 392.397 -0.210 5 10 GBBE O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCN1 513952836 FXNGKCJIBFFMNE-LBPRGKRZSA-N 396.425 -0.046 5 10 GBBE O=C(O)[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860755167 SYMWUKBMFMSMSS-LBPRGKRZSA-N 377.357 -0.286 5 10 GBBE CC1(C)C(=O)NC(=O)N1CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 530811263 LWCJNCQOKHXJPD-UHFFFAOYSA-N 376.373 -0.031 5 10 GBBE CN(C)CCNC(=O)[C@@H](CC(N)=O)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330596734 VSUVUSWJHZRNIF-CQSZACIVSA-N 377.401 -0.354 5 10 GBBE CN=c1[nH]cc([N+](=O)[O-])c(=NC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]1 2358563058 UNWXFOSDOMNJLW-INTQDDNPSA-N 384.393 -0.977 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 599508102 UPGRAZPRALCCLK-MRVPVSSYSA-N 385.445 -0.405 5 10 GBBE CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCOCCO 1872615699 DZCKOQFJOIHPLZ-NSHDSACASA-N 375.403 -0.223 5 10 GBBE CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(=O)N1CCNCC1 415325243 GRGHWVKILFMFIT-UHFFFAOYSA-N 377.401 -0.014 5 10 GBBE CN(C)c1nccc(N2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)n1 489507930 FRVBPIRXLCQKOV-UHFFFAOYSA-N 387.400 -0.039 5 10 GBBE O=C(CN1CCS(=O)(=O)CCO1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1473894836 RXTAOXURLPBAOK-UHFFFAOYSA-N 398.441 -0.095 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-] 363868266 NFBCNZPXANTHSB-CYBMUJFWSA-N 378.385 -0.124 5 10 GBBE CN(CC(=O)NCC(=O)N1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 600055155 CYBUASOICXVUDY-UHFFFAOYSA-N 386.386 -0.505 5 10 GBBE CNS(=O)(=O)c1ccc(N(C)CCN2CCCS2(=O)=O)c([N+](=O)[O-])c1 610588260 RRQLCLWQNMDFIX-UHFFFAOYSA-N 392.459 -0.025 5 10 GBBE NC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCn1ccnc1 1861030246 NQUMAAWRUJYVQH-CQSZACIVSA-N 388.384 -0.028 5 10 GBBE O=C([C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1)N1CCOCC1 1892083987 WYTLJWCUGNMGPG-ZDUSSCGKSA-N 385.398 -0.157 5 10 GBBE CC1(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CNC1 592477917 RRHVFEMWFMJFOB-UHFFFAOYSA-N 398.441 -0.194 5 10 GBBE CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599261194 PXLRLSWHNYKDQF-LLVKDONJSA-N 386.434 -0.745 5 10 GBBE O=C1C[C@@]2(CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CN1 1448673314 JOFATDAVWOMQQI-HNNXBMFYSA-N 382.398 -0.388 5 10 GBBE CN=c1nc(N2CC(NC(=O)OC(C)(C)C)(C(N)=O)C2)c([N+](=O)[O-])c(C)[nH]1 2173741700 AYNXQQPXXTVQSS-UHFFFAOYSA-N 381.393 -0.274 5 10 GBBE CN(C)C(=O)/C=C\C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1163085055 KAEXEROXPCLOGM-HJWRWDBZSA-N 384.414 -0.024 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC(N2CCCC2=O)C1 1472082505 PUDPROQADZSXRL-UHFFFAOYSA-N 382.398 -0.294 5 10 GBBE COCCN1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1629357428 WLXXAICYVTWHIY-GFCCVEGCSA-N 386.430 -0.290 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCNC(C)=O)c1 1861345113 RCPKGUXEGQWOGU-XHDPSFHLSA-N 394.384 -0.569 5 10 GBBE C[C@H](O)[C@H](NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026271 KFAZEJUADWAZHW-SDBXPKJASA-N 379.325 -0.079 5 10 GBBE O=[N+]([O-])c1cc(Cl)cnc1N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 272163691 AZQBUZULVOFMLY-VXGBXAGGSA-N 376.822 -0.077 5 10 GBBE CC(=O)N1CC(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 472464275 OJVRLQXEMNLWDJ-UHFFFAOYSA-N 396.425 -0.094 5 10 GBBE CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599229452 WXIHJCSMFIBXIV-UHFFFAOYSA-N 395.463 -0.237 5 10 GBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 1537268505 VFQBGBWZQZQDJO-NSHDSACASA-N 379.325 -0.178 5 10 GBBE Cn1cc(Cn2c(=O)c(I)cn(C)c2=O)c([N+](=O)[O-])n1 1643826680 QLUMNGPKFNFJJK-UHFFFAOYSA-N 391.125 -0.158 5 10 GBBE Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCCNC=O)ccc1[N+](=O)[O-] 1861818970 CLWCYGBANCYLIX-DZGCQCFKSA-N 378.385 -0.269 5 10 GBBE O=C1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 15928277 ZOQZQGKFBTWCTL-ZDUSSCGKSA-N 382.398 -0.294 5 10 GBBE CCON(C)C(=O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 846504367 BRAARYMNUATMLG-UHFFFAOYSA-N 388.402 -0.259 5 10 GBBE CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867794374 KSTSXDPKXWEAHU-RKDXNWHRSA-N 382.373 -0.019 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)n1 1610177267 FIIXBCLQUWMGNN-KGLIPLIRSA-N 384.414 -0.786 5 10 GBBE CN1CCN(S(=O)(=O)c2ccc(N[C@@H]3COC[C@@H]3O)c([N+](=O)[O-])c2)CC1 1655743148 MHSWYEJDZLFKHC-HIFRSBDPSA-N 386.430 -0.298 5 10 GBBE CCc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871621651 OCCXNSABLQZPDA-SNVBAGLBSA-N 389.416 -0.097 5 10 GBBE CCn1cc(S(=O)(=O)N2CCCN(CCOC)C(=O)C2)c([N+](=O)[O-])n1 468760143 AOCWUMXNGDYKEV-UHFFFAOYSA-N 375.407 -0.319 5 10 GBBE CCN1C(=O)CO[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H]1c1nccn1C 599698806 XYHFBMCNJIOJSY-KBPBESRZSA-N 391.388 -0.370 5 10 GBBE CN1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)[C@H](CO)C1 1586015482 GMYDMWAYWGRVRB-LBPRGKRZSA-N 376.369 -0.003 5 10 GBBE N=c1cc([N+](=O)[O-])cc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)[nH]1 2173805377 JLFBXUJLCRSVIP-RQJHMYQMSA-N 376.295 -0.239 5 10 GBBE COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 593675858 DGOWIVMKPGAJFN-UHFFFAOYSA-N 393.400 -0.226 5 10 GBBE O=C(C(=O)N1C[C@H]2COC[C@@H](C1)O2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1261355754 ZYUWEHPBSGGGFR-BETUJISGSA-N 391.384 -0.735 5 10 GBBE CN(C1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1)S(C)(=O)=O 1328741855 YSYJSJXOPGXKMS-UHFFFAOYSA-N 381.436 -0.627 5 10 GBBE C[C@@H](O)[C@@H](NC(=O)CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O 526917131 UYNSHSSKJTUFOH-AMIZOPFISA-N 398.328 -0.037 5 10 GBBE CN(C)S(=O)(=O)N1CC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 863544820 BYLGEQJSYNGEHI-UHFFFAOYSA-N 376.366 -0.281 5 10 GBBE CO[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCS(=O)(=O)C1 1533356515 NLLQQSULSOKWRW-HNNXBMFYSA-N 384.414 -0.158 5 10 GBBE CN(C)CCNC(=O)[C@H](CC(N)=O)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330636301 SDUBWUBWUPFDMI-AWEZNQCLSA-N 377.401 -0.354 5 10 GBBE COC(=O)[C@@](C)(O)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420971678 IRYDCLKKVVPBJR-AWEZNQCLSA-N 375.403 -0.271 5 10 GBBE Cn1ccnc(N2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)c1=O 465230773 ADLLQUVLQAVOMI-UHFFFAOYSA-N 375.389 -0.031 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CC3(CN(C)C(=O)O3)C2)cc1[N+](=O)[O-] 1299511481 ZZWXVNLWFCIHHM-UHFFFAOYSA-N 378.341 -0.004 5 10 GBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1CCNC1=O 1469108974 JENMOKIRCHECNO-LLVKDONJSA-N 384.414 -0.142 5 10 GBBE CN1CCN(C2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)CC1 1618433118 NYAPUJIWBYVYQW-UHFFFAOYSA-N 383.430 -0.686 5 10 GBBE O=C1[C@H](N2CCN3[C@@H](CNS3(=O)=O)C2)CCN1c1cccc([N+](=O)[O-])c1 1620608620 SYRJATMFBNRTSB-UONOGXRCSA-N 381.414 -0.466 5 10 GBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1651247524 GNMUPIVCCOKSJV-LBPRGKRZSA-N 387.414 -0.433 5 10 GBBE COc1ccc(N=c2[nH]c(=NC[C@@H](C)O)[nH]c(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871464650 MGRFGNZLNIDFJY-NXEZZACHSA-N 393.404 -0.617 5 10 GBBE Cn1cc([N+](=O)[O-])c(CNC(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)n1 2240657534 MLTVLQRQWXEVSI-SRVKXCTJSA-N 385.377 -0.714 5 10 GBBE CN(C)CCNC(=O)c1cccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 608946910 GCBSNRGXYCSQQO-UHFFFAOYSA-N 375.389 -0.206 5 10 GBBE COCCCS(=O)(=O)N1CCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)CC1 1127029040 ZWJJPFKTGUCNIU-UHFFFAOYSA-N 389.434 -0.390 5 10 GBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1327080629 QREJFOISCWGDFX-GFCCVEGCSA-N 377.400 -0.432 5 10 GBBE O=C(C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1332673280 OUBUEFCHYOBZJI-SOZNTENNSA-N 393.425 -0.630 5 10 GBBE CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 65970918 RTVBZNWBWKXTKX-UHFFFAOYSA-N 398.488 -0.488 5 10 GBBE CNS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 599530805 WNAXKBDCCPMWGL-JTQLQIEISA-N 378.432 -0.060 5 10 GBBE Cc1nn(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(=O)n1C 844679557 QSKWTMWEWYMPGR-UHFFFAOYSA-N 396.429 -0.238 5 10 GBBE O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC2(C[C@@H](O)CNC2=O)C1 1595698452 HHZNOEMUVHOWFV-GFCCVEGCSA-N 390.396 -0.246 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 53213990 IDHADHNLJSGFRW-UHFFFAOYSA-N 379.416 -0.131 5 10 GBBE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1CCO 451070233 XGXXITACKFMLSL-GFCCVEGCSA-N 386.430 -0.602 5 10 GBBE CS(=O)(=O)N[C@H]1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 522628655 WTVLMJYXHZLWPJ-GXFFZTMASA-N 382.398 -0.150 5 10 GBBE CNS(=O)(=O)c1ccc(N2CCN(CCN(C)C)C(=O)C2)c([N+](=O)[O-])c1 593485765 DAEJCSVECLIBQY-UHFFFAOYSA-N 385.446 -0.287 5 10 GBBE C[C@@H](O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330669621 AUZMNWIMHRSOEA-YPMHNXCESA-N 378.385 -0.145 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@@H]2COCCN2CC(F)F)n1 1335189157 VMCFQLRACJXICV-QMMMGPOBSA-N 383.333 -0.901 5 10 GBBE CCN(CCO)c1nc(=NC[C@@H](C)O)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521274 XVCOAHLTUHBAGV-LLVKDONJSA-N 377.405 -0.022 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@@H](O)CN2CCOCC2)cc1 566791980 HRNLOZRYDWCCQT-CQSZACIVSA-N 388.446 -0.844 5 10 GBBE Cn1c(O)c([C@@H](NC(=N)N)C(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 606655463 QWKQUYQVDAQPKI-SNVBAGLBSA-N 376.329 -0.895 5 10 GBBE CCN(OC)C(=O)CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1326956931 ZMQCAPRFXHGHBA-UHFFFAOYSA-N 393.400 -0.231 5 10 GBBE NC(=O)C1(O)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 1643068016 FYBWPQJEOZMNMO-UHFFFAOYSA-N 391.428 -0.444 5 10 GBBE CCOc1ccc(NC(=O)CN2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1560169480 NLSJTTUMVOJJCT-LLVKDONJSA-N 399.429 -0.234 5 10 GBBE CN(C)CCNC(=O)[C@H](CC(N)=O)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330596733 VSUVUSWJHZRNIF-AWEZNQCLSA-N 377.401 -0.354 5 10 GBBE CCS(=O)(=O)NCCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 169918037 JELSWQQYTLLYNE-UHFFFAOYSA-N 384.370 -0.754 5 10 GBBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2CCOC[C@H]2C1 542684864 HNUMEUKCCFLZLE-CQSZACIVSA-N 398.441 -0.194 5 10 GBBE CC(C)(CCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[N+](=O)[O-] 822394670 VFKWWPSOPPGSFL-UHFFFAOYSA-N 378.451 -0.457 5 10 GBBE O=C1CN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C(=O)N1 517703622 VCUJSELVOWTUBK-UHFFFAOYSA-N 381.370 -0.508 5 10 GBBE Cc1ccc(C)c(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)c1[N+](=O)[O-] 599501434 OTPFJVPFLFBZAZ-UHFFFAOYSA-N 392.459 -0.019 5 10 GBBE Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1307461425 LGJJVSLHMXFEDA-UHFFFAOYSA-N 378.389 -0.607 5 10 GBBE C[C@@H]1NC(=O)[C@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C 1631791563 HCGDHUNVUHPNGV-AXFHLTTASA-N 384.414 -0.003 5 10 GBBE CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 1647905383 AWHDUXBWOICMLW-CYBMUJFWSA-N 386.430 -0.602 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C=Cc1cccc([N+](=O)[O-])c1 2330623741 AICPSPASHPGPPE-HOTGVXAUSA-N 390.396 -0.178 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)n1 599391691 QBDDCMKCXOYPSD-UHFFFAOYSA-N 379.420 -0.873 5 10 GBBE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 772050723 HKGALXDBJICSGS-LBPRGKRZSA-N 383.405 -0.042 5 10 GBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCN2CCOC[C@@]2(CO)C1 1597553685 BSMAEGVYGCDVAQ-KRWDZBQOSA-N 375.385 -0.150 5 10 GBBE O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCS(=O)(=O)O 1866026135 INTQTECZUUCHKI-UHFFFAOYSA-N 385.354 -0.025 5 10 GBBE Cn1ccnc1CN1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 543083653 BCAFIENXWVZTIT-ZDUSSCGKSA-N 388.384 -0.203 5 10 GBBE O=C(Cn1ncc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 863375025 XJIJUTRGPXZOII-UHFFFAOYSA-N 398.376 -0.142 5 10 GBBE O=[N+]([O-])c1sc(N2CCS(=O)(=O)CC2)nc1N1CCS(=O)(=O)CC1 1319025073 SFVPGAZVHUCDNB-UHFFFAOYSA-N 396.472 -0.479 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCN3[C@@H](CNS3(=O)=O)C2)cc1 1620608604 SPWPUIOTPDDTEY-LBPRGKRZSA-N 390.443 -0.797 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H](CO)CN1CCCC1 1625505031 IGBYWAXELMNSAJ-NSHDSACASA-N 376.369 -0.236 5 10 GBBE Cn1cc(C[C@H](CO)NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cn1 1638404197 JOAXRHZXDDTEGG-GFCCVEGCSA-N 389.368 -0.227 5 10 GBBE O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN2[C@H](CNS2(=O)=O)C1 1646398805 MPUINLQOGHWSAF-GFCCVEGCSA-N 379.398 -0.021 5 10 GBBE CCS(=O)(=O)CC[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)O 170541315 YILIXQGUYKLWLH-SNVBAGLBSA-N 395.415 -0.068 5 10 GBBE CN(C)CCN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1=O 593233434 PACKCMVLVQGIEM-UHFFFAOYSA-N 398.441 -0.156 5 10 GBBE COC(=O)[C@]1(N2CCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)CC2)CCOC1 1118881329 BIEUDKYQUPGERT-INIZCTEOSA-N 381.389 -0.424 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)nc1 1327296491 HZHDNUULKYQGEU-GHMZBOCLSA-N 377.400 -0.434 5 10 GBBE Cc1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCCNC=O)ccc1[N+](=O)[O-] 1861818972 CLWCYGBANCYLIX-HIFRSBDPSA-N 378.385 -0.269 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330587859 XMZCOWUMKMBCFB-HOTGVXAUSA-N 390.396 -0.178 5 10 GBBE CCS(=O)(=O)CC[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)O 170541316 YILIXQGUYKLWLH-JTQLQIEISA-N 395.415 -0.068 5 10 GBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN2[C@H](CNS2(=O)=O)C1 1156615675 ZXTQUDTUFBHRBL-SECBINFHSA-N 384.370 -0.660 5 10 GBBE CN1CCC(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)(N2CCOCC2)CC1 1583856143 FPGXBHKFQUFSAX-UHFFFAOYSA-N 393.444 -0.331 5 10 GBBE COCCN(C(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O)[C@H]1CCS(=O)(=O)C1 268699981 AXGFIPHDMNOWLJ-LBPRGKRZSA-N 387.414 -0.273 5 10 GBBE COc1cc(C(=O)NC[C@@]23COCCN2C(=O)COC3)c([N+](=O)[O-])cc1OC 1132364815 PPRILBKORDEDQF-KRWDZBQOSA-N 395.368 -0.030 5 10 GBBE CN1CCN(C)CC(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1585859096 YGONHEYLWVKXRJ-UHFFFAOYSA-N 399.473 -0.517 5 10 GBBE CN1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 294465630 IJJWZVDQWUCMQB-CYBMUJFWSA-N 384.414 -0.142 5 10 GBBE CN(C)C(=O)CN1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 361786450 XJSWEHZLKJRVJG-UHFFFAOYSA-N 385.446 -0.158 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 496391121 WVEDTJMCVWTUQA-UHFFFAOYSA-N 377.401 -0.085 5 10 GBBE C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 571622479 VNHYHRFXADIBNE-OCCSQVGLSA-N 393.400 -0.753 5 10 GBBE CN(C)CCN1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1=O 598630843 MOCUZPYZBSNPJG-UHFFFAOYSA-N 379.421 -0.568 5 10 GBBE C[C@@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O 1330451242 SOSXQCWDQGZUHI-GFCCVEGCSA-N 398.441 -0.254 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2C(=O)CC[C@H]2C1 1636373382 NPLZOJLCQOBSCL-NSHDSACASA-N 382.398 -0.294 5 10 GBBE COc1nc(=NC[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)[nH]cc1[N+](=O)[O-] 2233972636 IDKJGAJFEKPUCG-FBIMIBRVSA-N 385.377 -0.432 5 10 GBBE O=C(NCC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cccc([N+](=O)[O-])c1 592852050 FWWLILSWPFRKDW-INIZCTEOSA-N 397.409 -0.259 5 10 GBBE CN(CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)CCS(C)(=O)=O 1651243907 JDWOAEUIYJDKOC-UHFFFAOYSA-N 386.430 -0.583 5 10 GBBE CN(C)CCNC(=O)[C@H](CC(N)=O)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861129354 FLMJOUDMPRKEEW-GWJCSSMESA-N 377.401 -0.354 5 10 GBBE CS(=O)(=O)CCC(=O)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1868870960 PPROWULECXPSJT-UHFFFAOYSA-N 398.441 -0.206 5 10 GBBE CN1C(=O)[C@H]2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@@H]2C1=O 1890110371 JSNSDWAPVXZRBZ-UWVGGRQHSA-N 386.320 -0.736 5 10 GBBE O=C(NC[C@@H]1CNC[C@@H]1O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 262357964 UZDROCHPALKYOX-GLQYFDAESA-N 398.441 -0.556 5 10 GBBE O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@]12CNC[C@H]1COC2 593904555 YZSIZXSSRAYKMH-NHYWBVRUSA-N 384.414 -0.775 5 10 GBBE NC(=O)[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ccc(N)c([N+](=O)[O-])n2)C1 2173843569 DJAWFWLTUSQGMA-BQBZGAKWSA-N 376.295 -0.069 5 10 GBBE COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 13987931 SRCKLNIWSOPRGD-NSHDSACASA-N 380.382 -0.027 5 10 GBBE CN1CC2(CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)OC1=O 817654057 HYZSFCVSARBLOY-UHFFFAOYSA-N 398.397 -0.074 5 10 GBBE NC(=O)CN1CCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 822809379 UEPGVMASFDZSLI-UHFFFAOYSA-N 397.338 -0.337 5 10 GBBE CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN3[C@@H](CNS3(=O)=O)C2)s1 1640449564 NHSWXHAEGYZFQX-ZETCQYMHSA-N 382.445 -0.602 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)n1 425314913 JRJSOGICNQKCRY-LBPRGKRZSA-N 382.421 -0.280 5 10 GBBE Cc1nn(CCC(=O)NC[C@]23COCCN2C(=O)COC3)c(C)c1[N+](=O)[O-] 1462233517 DYHRCRMHPNTXHO-MRXNPFEDSA-N 381.389 -0.458 5 10 GBBE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1644226202 LSKJLLSELOCWBT-UHFFFAOYSA-N 394.384 -0.231 5 10 GBBE O=C(N[C@H]1CCCCNC1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 419956491 UGJMRTGYTPEUQN-ZDUSSCGKSA-N 376.417 -0.103 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)NCCOCCO)c1 586408890 QQGNKHHRXBTXOI-UHFFFAOYSA-N 386.430 -0.194 5 10 GBBE CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 1328952557 IGPQZIQIUIWYAC-ZDUSSCGKSA-N 378.385 -0.302 5 10 GBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1628348427 MXOWQKXKZBDFMU-MGPQQGTHSA-N 375.447 -0.610 5 10 GBBE NC(=O)CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCO 1861127727 XFYIQDVBVRFGOE-MDDUGHTDSA-N 378.385 -0.143 5 10 GBBE O=C(NC(CO)(CO)CO)c1ccc(I)c([N+](=O)[O-])c1 2296072469 KSVQMDVKWBRNDQ-UHFFFAOYSA-N 396.137 -0.355 5 10 GBBE COC[C@@H](O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 269572708 UNAASRICWGWVDT-GXTWGEPZSA-N 387.414 -0.129 5 10 GBBE CNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 530775969 ZWWOZFAIKXZBSB-LBPRGKRZSA-N 393.400 -0.317 5 10 GBBE O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595276393 OXUROHAIIGVNTP-SJKOYZFVSA-N 377.353 -0.187 5 10 GBBE CN1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)N(C(=O)OC(C)(C)C)CC1=O 1126997625 BHBWOCZBNRXGMX-GFCCVEGCSA-N 396.404 -0.015 5 10 GBBE O=C(CCn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CCN(CCO)CC1 1873815844 BAFRDLICLASCGH-UHFFFAOYSA-N 375.385 -0.169 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330587858 XMZCOWUMKMBCFB-CVEARBPZSA-N 390.396 -0.178 5 10 GBBE CNC(=O)[C@]1(C)CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1467587821 NSAFKISIIDGISI-OAHLLOKOSA-N 384.414 -0.142 5 10 GBBE C[C@H](O)CN=c1nc(N2CCOCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520123 ISXPMPOJSAZZFA-NSHDSACASA-N 375.389 -0.004 5 10 GBBE CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 366707844 DPXCFXVOCQVQTQ-SNVBAGLBSA-N 379.416 -0.084 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1 427817423 LQMBEPROSFWBBB-UHFFFAOYSA-N 392.372 -0.755 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)NCCNC(C)=O)c1 586407302 CRBZONIYIDXKEY-UHFFFAOYSA-N 383.430 -0.067 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 732072891 BJWRBQABCVKXFQ-ZDUSSCGKSA-N 388.384 -0.202 5 10 GBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2(O)COC2)CC1 1587993929 NVOBJWPSCGWELZ-UHFFFAOYSA-N 385.398 -0.503 5 10 GBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 789913573 GZXVTNWLZTVVMK-UHFFFAOYSA-N 380.405 -0.897 5 10 GBBE CN(CC(=O)N[C@@H](CO)[C@@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1137912839 BLOIFOQHTLDFAS-RISCZKNCSA-N 387.414 -0.271 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@]1(O)CCSC1 1294450869 PCJLYPNDYIVICX-ZDUSSCGKSA-N 375.428 -0.143 5 10 GBBE Cc1c(N=c2[nH]c(=NC[C@H](C)O)[nH]c(=NC[C@H](C)O)[nH]2)cccc1[N+](=O)[O-] 1871469169 ZHZMOBMICONRQW-UWVGGRQHSA-N 377.405 -0.317 5 10 GBBE Cn1[nH]c(=N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2S(C)(=O)=O)nc1[N+](=O)[O-] 2345005057 SZXKFGCADYDHOG-DTWKUNHWSA-N 390.422 -0.410 5 10 GBBE O=C1CC[C@@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)CCN1 593603324 AWGJUUVBZCDAOQ-GFCCVEGCSA-N 383.430 -0.035 5 10 GBBE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 600231886 MLCRZMFUJYVZIU-QGZVFWFLSA-N 380.401 -0.512 5 10 GBBE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1c1nc(=N)[nH]cc1[N+](=O)[O-] 2173823659 GHMKUEJZLGSMSG-OAHLLOKOSA-N 384.393 -0.110 5 10 GBBE CCn1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c([N+](=O)[O-])n1 594854878 ZJPSYSKLRMTVOW-SECBINFHSA-N 381.436 -0.534 5 10 GBBE CNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1290452529 PYMSTBPLUOZDAG-UHFFFAOYSA-N 384.414 -0.142 5 10 GBBE CN1CCN(S(=O)(=O)c2ccc(N3CCNC(=O)CC3)c([N+](=O)[O-])c2)CC1 54369685 NBNZETKLVPEIGG-UHFFFAOYSA-N 397.457 -0.143 5 10 GBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 374844971 LGHUPQPLJAUCPL-NSHDSACASA-N 387.418 -0.405 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 467402450 SBTLNVGRNIIJCN-VIFPVBQESA-N 390.443 -0.020 5 10 GBBE COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593542443 UCQBOOTVPPXOMF-UHFFFAOYSA-N 388.402 -0.514 5 10 GBBE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 913305618 XEDMBQGOHMXLQO-CQSZACIVSA-N 383.405 -0.193 5 10 GBBE COC[C@@H](C(N)=O)N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 815135440 BMGHRCYMTMIIEG-HNNXBMFYSA-N 379.417 -0.325 5 10 GBBE C[C@H](O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330592459 HGSGDOHHKMSGFR-SMDDNHRTSA-N 378.385 -0.145 5 10 GBBE CCn1cc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])n1 509172763 UOYGKNMWIVSFLV-JTQLQIEISA-N 395.463 -0.144 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCN3CCOC[C@]3(CO)C2)cc1 1560177766 CQJZIOQFHPDJLO-MRXNPFEDSA-N 385.442 -0.253 5 10 GBBE CN(C)CCNC(=O)[C@@H](CC(N)=O)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330636302 SDUBWUBWUPFDMI-CQSZACIVSA-N 377.401 -0.354 5 10 GBBE COCCNC(=O)[C@H]1CC[C@@H](C)N(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599218530 VSKVAVDIBSVPNB-MNOVXSKESA-N 389.434 -0.120 5 10 GBBE COC(=O)[C@@]1(N2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)CCOC1 1329279518 ZDZSLIWCXXHCCP-QGZVFWFLSA-N 380.401 -0.294 5 10 GBBE O=c1ccc([N+](=O)[O-])cn1CCN1CCN(C[C@H]2CCCS2(=O)=O)CC1 1648034874 CTOSAKDKCCNCEQ-OAHLLOKOSA-N 384.458 -0.049 5 10 GBBE COc1ccc(N=c2nc(N(C)CCO)[nH]c(N(C)CCO)n2)cc1[N+](=O)[O-] 1871734878 IHHGRCRGSTZXOQ-UHFFFAOYSA-N 393.404 -0.189 5 10 GBBE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 592880180 PBQZXORTHDOAFQ-GFCCVEGCSA-N 377.401 -0.097 5 10 GBBE O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CCN2[C@@H](CNS2(=O)=O)C1 1456178786 XAJIKWUILBRZHU-QMMMGPOBSA-N 384.399 -0.426 5 10 GBBE NC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCOCC1 1861033142 CPAUOEHMXCQXDM-CQSZACIVSA-N 393.400 -0.983 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 599185517 QRUVDNVYIPTGHD-SNVBAGLBSA-N 393.443 -0.247 5 10 GBBE CC(C)NS(=O)(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1637749900 PQERAJXLPOBGII-UHFFFAOYSA-N 387.418 -0.857 5 10 GBBE N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)C(=O)N1CCN(c3ncccc3[N+](=O)[O-])CC1)C2 852926139 CRZLBLVVCMKSMK-MGPQQGTHSA-N 388.428 -0.023 5 10 GBBE O=C(Cn1ncc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 863374571 BNAWLOMZUCQNBU-UHFFFAOYSA-N 380.386 -0.281 5 10 GBBE CN1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1CO 931407141 SOAXQKGICCNWEH-KRWDZBQOSA-N 377.445 -0.148 5 10 GBBE C[C@@H](O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 1556996325 YAGDJBQFCHJSDC-BXUZGUMPSA-N 387.414 -0.177 5 10 GBBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)CCS(C)(=O)=O 1867023061 UXUHUPXUUXSOOX-NSHDSACASA-N 389.386 -0.546 5 10 GBBE CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Oc1ncc([N+](=O)[O-])c(=N)[nH]1 2128137029 OAQYQEXDBBKVSM-IONNQARKSA-N 389.390 -0.134 5 10 GBBE CN(C)C(=O)CN1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 371953068 JHRORFKELHZWCT-UHFFFAOYSA-N 385.446 -0.158 5 10 GBBE O=C(NCC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cccc([N+](=O)[O-])c1 592852051 FWWLILSWPFRKDW-MRXNPFEDSA-N 397.409 -0.259 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)n1 599501948 MTCWKZMGWXZGQD-CYBMUJFWSA-N 396.429 -0.097 5 10 GBBE CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1328145415 CLOUEZOVKNKBCA-GFCCVEGCSA-N 380.405 -0.329 5 10 GBBE COCCO[C@@H]1C[C@@H](CO)CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1331341425 XNWXEMONQSUOBH-GHMZBOCLSA-N 378.407 -0.637 5 10 GBBE C[C@@H]1NCC[C@H]1NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1351580079 SCXWXPWTGDMDOZ-SWLSCSKDSA-N 389.412 -0.254 5 10 GBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN2CCOC[C@@]2(CO)C1 1647080880 KGRSFBCCFIESJQ-KRWDZBQOSA-N 379.369 -0.115 5 10 GBBE COc1ccc(NC(=O)CN2CCN3CCOC[C@@]3(CO)C2)c([N+](=O)[O-])c1 1655716820 OXFIRDINRGVQEF-KRWDZBQOSA-N 380.401 -0.079 5 10 GBBE CNCCOCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 861798543 GEAPYRSNTUHZDP-UHFFFAOYSA-N 379.417 -0.404 5 10 GBBE CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(N)=O 585662650 PCTQQHHBFMXHHA-DCAQKATOSA-N 393.400 -0.169 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C[C@H]1CCNC1=O 1143114795 LHIWJTMIYVSVSI-LLVKDONJSA-N 384.414 -0.142 5 10 GBBE C[C@H](O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861129177 AUZMNWIMHRSOEA-PLGKGIRVSA-N 378.385 -0.145 5 10 GBBE O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@H](O)CN2CCOCC2)c1 570322276 GNLRMPNKALQTQP-AWEZNQCLSA-N 388.446 -0.844 5 10 GBBE O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@@H](O)CN2CCOCC2)c1 570322277 GNLRMPNKALQTQP-CQSZACIVSA-N 388.446 -0.844 5 10 GBBE COc1ccc(N=c2nc(N(C)CCO)[nH]c(N(C)CCO)n2)c([N+](=O)[O-])c1 1871734722 AHLWEBHLYNCAKK-UHFFFAOYSA-N 393.404 -0.189 5 10 GBBE O=CNCCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330588335 JSWJNBNPQNLNQP-CVEARBPZSA-N 390.396 -0.178 5 10 GBBE C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1 13533969 MKEGHROPIHJRPG-CABZTGNLSA-N 395.372 -0.654 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)nc1 599391624 OPTUZOFHJJAGON-UHFFFAOYSA-N 376.416 -0.212 5 10 GBBE CNC(=O)[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 784706809 GKFDELNTVFOKBS-MRVPVSSYSA-N 382.192 -0.258 5 10 GBBE CN(C)S(=O)(=O)C1(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 1155513327 DZJMEKQEMHYZHZ-UHFFFAOYSA-N 384.414 -0.135 5 10 GBBE CN(C)S(=O)(=O)N1CC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1479062700 BEOYAFQVGMUPSD-UHFFFAOYSA-N 399.429 -0.142 5 10 GBBE C[C@@H](O)CN1C(=O)C(NCCCNC=O)=C(c2ccccc2[N+](=O)[O-])C1=O 1863596597 YAZYHYZEDYZIEY-LLVKDONJSA-N 376.369 -0.219 5 10 GBBE CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 531624279 LBMCQWZMJGAODR-UHFFFAOYSA-N 398.445 -0.760 5 10 GBBE CN(C)C[C@@]1(O)CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1175117616 DAIJJPQUCROMNK-KRWDZBQOSA-N 376.369 -0.284 5 10 GBBE C[C@@H](CO)N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1261326536 FRWNOOZJXIXCTB-LBPRGKRZSA-N 378.385 -0.282 5 10 GBBE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 1447748565 CHAULHARZIVGMP-UHFFFAOYSA-N 392.347 -0.164 5 10 GBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 283026825 QTPYIWUXQHTLJH-LBPRGKRZSA-N 398.397 -0.155 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 599508048 SVFYSTZGPGZEGA-ZDUSSCGKSA-N 393.443 -0.325 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 599661419 BRLWUSBWWXCEFI-UONOGXRCSA-N 389.430 -0.416 5 10 GBBE CN(CC(=O)NCC[C@@H]1CNC(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1537347122 CMVGDSQLHUNMDP-NSHDSACASA-N 384.414 -0.142 5 10 GBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N[C@@H](Cc1cnc[nH]1)C(=O)O 1859459720 SJJUDQXYIICCGR-LBPRGKRZSA-N 387.308 -0.274 5 10 GBBE CC(=O)NCCNC(=O)[C@H](CC(N)=O)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861124098 OJKRLYNEWSFHJW-GJBLVYBDSA-N 391.384 -0.780 5 10 GBBE CN(CC(=O)NCC[C@]1(O)CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 593812004 GIDVSNCIXQNAJU-HNNXBMFYSA-N 387.414 -0.127 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CNC(=O)C1CC1 1143115119 VXEQFUXTZWHKOO-UHFFFAOYSA-N 384.414 -0.142 5 10 GBBE CN(C)c1cc(F)c(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1[N+](=O)[O-] 1178721115 NVMGUJKTFYMFFF-VIFPVBQESA-N 387.393 -0.226 5 10 GBBE O=C1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1 1348229478 ZKLXHKREGZFFJD-UHFFFAOYSA-N 375.385 -0.408 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 1442659684 JIZOOQMNXJWVTI-CHWSQXEVSA-N 398.441 -0.148 5 10 GBBE Cc1c(N=c2[nH]c(=NC[C@@H](C)O)[nH]c(=NC[C@@H](C)O)[nH]2)cccc1[N+](=O)[O-] 1871469168 ZHZMOBMICONRQW-NXEZZACHSA-N 377.405 -0.317 5 10 GBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2233979310 UHJXSCFUHCQGGY-CKYFFXLPSA-N 385.377 -0.601 5 10 GBBE O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 1449706559 ZCSZRIKEDCTEFE-INIZCTEOSA-N 399.425 -0.289 5 10 GBBE COCCN(C)CCN1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1=O 1625688535 BQQDDXXQEWITDF-ZDUSSCGKSA-N 396.448 -0.178 5 10 GBBE Cc1c(N=c2[nH]c(N(C)CCO)nc(=NC[C@@H](C)O)[nH]2)cccc1[N+](=O)[O-] 1871645209 HGFNGXJXJZJIBB-SNVBAGLBSA-N 377.405 -0.103 5 10 GBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)n1 2233979610 VHNFPSRLHJLYJN-UISBYWKRSA-N 385.377 -0.601 5 10 GBBE CN(C)S(=O)(=O)N1CC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 599500900 CZXDYIRVZCUJPZ-UHFFFAOYSA-N 392.459 -0.453 5 10 GBBE COCCN(C)CCN1C[C@@H](NC(=O)Cn2c([N+](=O)[O-])cnc2C)CC1=O 1642000870 VIELRCODBBJTTQ-ZDUSSCGKSA-N 382.421 -0.605 5 10 GBBE O=Cc1ccc(OCC(=O)N2CCN3CCOC[C@]3(CO)C2)c([N+](=O)[O-])c1 1647082677 UEYCISNNPNYDKE-QGZVFWFLSA-N 379.369 -0.308 5 10 GBBE O=C(O)CC[C@H](NC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21)C(=O)O 31845676 VTPLIUUPEUTGTH-VIFPVBQESA-N 381.297 -0.246 5 10 GBBE COC(=O)[C@@H]1CC(=O)NN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 170210122 YYWXLXWFFBUGGI-MRVPVSSYSA-N 390.308 -0.757 5 10 GBBE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 592439875 HDRRVJNTONNTFQ-GFCCVEGCSA-N 375.385 -0.110 5 10 GBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@@H]1CN1CCOCC1 1343181154 FCZMKQRYQJLNOB-CYBMUJFWSA-N 380.405 -0.769 5 10 GBBE CN(C)S(=O)(=O)c1ccc(N2CC3(C[C@H](O)CNC3=O)C2)c([N+](=O)[O-])c1 1640412382 YPBLGEGMDXNVJD-JTQLQIEISA-N 384.414 -0.468 5 10 GBBE CN(C)CCNC(=O)c1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 485989827 ZBWUZINHXDKNBF-UHFFFAOYSA-N 375.389 -0.206 5 10 GBBE COc1ccc(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] 593621926 OGMOYFVKNKLCDU-UHFFFAOYSA-N 386.430 -0.002 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] 599665743 KVRTWRTUJNSGLH-CHWSQXEVSA-N 389.430 -0.416 5 10 GBBE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 1136561765 WSKNDWOPKCCGCD-RBSFLKMASA-N 399.425 -0.758 5 10 GBBE COCCN(C)CCN1C[C@H](NC(=O)Cn2c([N+](=O)[O-])cnc2C)CC1=O 1642000869 VIELRCODBBJTTQ-CYBMUJFWSA-N 382.421 -0.605 5 10 GBBE Cn1c(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc(=O)n(C)c1=O 1849686898 OQJJSQSUVPONSR-UHFFFAOYSA-N 387.396 -0.117 5 10 GBBE C[C@H](O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861125032 HGSGDOHHKMSGFR-MENFFEEASA-N 378.385 -0.145 5 10 GBBE CNc1nc[nH]c(=NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 2234038353 ZFYSXWLTWABKSF-WCABBAIRSA-N 384.393 -0.399 5 10 GBBE C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1637342429 IILFPIAXGXEXIE-FZMZJTMJSA-N 377.401 -0.086 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)n1 1261792707 IFSGEHKCULOMJI-UHFFFAOYSA-N 387.418 -0.412 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)N2CCN(CCO)CC2)c1 1859215386 QAQHQCCJQRUYFX-GFCCVEGCSA-N 380.401 -0.142 5 10 GBBE Cc1c(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCCO)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861792674 DNRNWTOSYHOWET-SMDDNHRTSA-N 396.356 -0.115 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 1861819273 HRVIRXDIYZZUIT-UKRRQHHQSA-N 378.385 -0.269 5 10 GBBE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 2233973905 JQSVATDGWDTPPM-MDZLAQPJSA-N 385.377 -0.751 5 10 GBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2233979315 UHJXSCFUHCQGGY-SCVCMEIPSA-N 385.377 -0.601 5 10 GBBE CC(=O)NC[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCO1 1136880090 FUAIUDLVOIWTNH-LLVKDONJSA-N 385.398 -0.025 5 10 GBBE CC(C)(C)OC(=O)N1CCN(C(=O)CN=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])CC1 2173918702 WROHKMYDLQBIRJ-UHFFFAOYSA-N 381.393 -0.290 5 10 GBBE CS(=O)(=O)N1CCN(C(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 70813759 FAYBTOZKGLXDES-UHFFFAOYSA-N 386.386 -0.636 5 10 GBBE CC(=O)NCC(=O)N(c1ccc([N+](=O)[O-])cc1)[C@@H](CCCNC(=N)N)C(N)=O 585669655 CVCZKYVMNQQBCC-ZDUSSCGKSA-N 393.404 -0.819 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)OC[C@@H]2C1 764134792 KGRCBIHENFXIHS-LBPRGKRZSA-N 398.397 -0.074 5 10 GBBE C[C@@H](O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 414056586 QZBSLJRDFXNVPW-RISCZKNCSA-N 387.414 -0.129 5 10 GBBE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)Cc1ccccc1[N+](=O)[O-] 598910290 SNFZPCRVWDPSFE-AAEUAGOBSA-N 390.352 -0.168 5 10 GBBE O=C(C(=O)N1C[C@H]2COC[C@@H](C1)O2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1330899425 XWJKHMPUWXWMLB-OKILXGFUSA-N 390.396 -0.130 5 10 GBBE C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1544468352 IRFSVSCKUUIMGQ-SWLSCSKDSA-N 397.457 -0.622 5 10 GBBE N[C@@H](CCCCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026246 QBHDCKYMKGXEBM-LBPRGKRZSA-N 378.341 -0.111 5 10 GBBE CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593598294 JFPYHSOPXIJELG-UHFFFAOYSA-N 378.432 -0.060 5 10 GBBE COC[C@H](CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC 1118498555 JNRQLKUCXPNLJZ-AWEZNQCLSA-N 395.416 -0.194 5 10 GBBE COC(=O)[C@H]1CN(C)C(=O)CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1198430712 UHHMBCJEEKRKKO-CYBMUJFWSA-N 385.398 -0.316 5 10 GBBE O=[N+]([O-])c1ccc2nc(N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)[nH]c2c1 1655346567 RRZGTMAFGLUQFB-ZIAGYGMSSA-N 381.414 -0.249 5 10 GBBE COC[C@@H](O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 269572710 UNAASRICWGWVDT-JSGCOSHPSA-N 387.414 -0.129 5 10 GBBE CCN1CCN(C(=O)CC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CC1 520873485 BYQYSERYEUFMSF-UHFFFAOYSA-N 393.448 -0.021 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1266619112 ZVRNXRHLQCUPCB-IAQYHMDHSA-N 385.398 -0.391 5 10 GBBE O=C(N=c1nn[nH][nH]1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1858627335 SLKZYAYLDIUINU-UHFFFAOYSA-N 382.362 -0.932 5 10 GBBE Cn1cc(C(=O)N2CCN(c3ncnc4c3nnn4C)CC2)cc([N+](=O)[O-])c1=O 1891280132 WXTRDBKBAZBKFQ-UHFFFAOYSA-N 399.371 -0.672 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CCN(CCO)[C@@H](C)C2)cc1[N+](=O)[O-] 428527454 XFGZQJIWNJRYRQ-LBPRGKRZSA-N 380.401 -0.142 5 10 GBBE CN1CCN(C2CN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1 1297228889 HEKFRQSMPWXZPY-UHFFFAOYSA-N 397.457 -0.669 5 10 GBBE O=C(NCCC1CS(=O)(=O)C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1323823661 ABCLHZCUVFFFLZ-UHFFFAOYSA-N 397.409 -0.265 5 10 GBBE CO[C@]1(CO)CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 598000510 XKHDNOBWYGMYAZ-OAHLLOKOSA-N 387.414 -0.127 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C(=O)c3cccn3C)CC2)n1 599222244 YOWYNSUAAJUTGQ-UHFFFAOYSA-N 382.402 -0.187 5 10 GBBE O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 1652714843 NYCJWOUGDGPEHU-SSDOTTSWSA-N 394.203 -0.178 5 10 GBBE CC(C)CO[C@@H](CC(=O)NC1CCN(S(N)(=O)=O)CC1)C[N+](C)(C)C 1853381265 SJHKDGSCUMYYHC-HNNXBMFYSA-O 379.547 -0.092 5 10 GBBE C[C@H](O)CNC(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 1860881982 CPIWFUDYIVOHBH-NSHDSACASA-N 386.430 -0.213 5 10 GBBE NC(=O)CC[C@H](NC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21)C(=O)O 31845680 LRLONMHQRHNWTO-VIFPVBQESA-N 380.313 -0.845 5 10 GBBE CN(C)c1nccc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)n1 525682978 KEDFGTJUCDDPKQ-UHFFFAOYSA-N 387.400 -0.039 5 10 GBBE CNC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 542914428 AEEPUFUVJOSRKK-PWSUYJOCSA-N 380.357 -0.234 5 10 GBBE Cc1c(C(=O)NCCNC(=S)N[C@@H](C(=O)O)[C@H](C)O)cccc1[N+](=O)[O-] 585861037 MUMKGJJUQHMBAT-JOYOIKCWSA-N 384.414 -0.069 5 10 GBBE CN1CCO[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O 1618245205 DNFAXJGKYMTZIG-CQSZACIVSA-N 376.369 -0.264 5 10 GBBE NC(=O)[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2ncnc(N)c2[N+](=O)[O-])C1 2173806074 MXMHNLYKLZZXCY-PHDIDXHHSA-N 377.283 -0.674 5 10 GBBE CN(CC(=O)N1CCN2CCOC[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 371862449 CFGUKTUXWSDWBI-AWEZNQCLSA-N 398.441 -0.242 5 10 GBBE O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCN2CCOC[C@]2(CO)C1 1456232206 FTDHRWBJRPARFX-SJLPKXTDSA-N 390.396 -0.007 5 10 GBBE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC 1620643303 CKHHNECTBXZQTL-GFCCVEGCSA-N 380.357 -0.143 5 10 GBBE O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1638695871 UADGIVVHKVTMJC-MRXNPFEDSA-N 399.425 -0.289 5 10 GBBE Cc1c(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCN(C)C)cccc1[N+](=O)[O-] 1861010334 JLZAMKYFYDZWJK-ZDUSSCGKSA-N 379.417 -0.055 5 10 GBBE CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)O[C@@H](CO)[C@@H](O)[C@H]1O 110339244 UBBCYDPSFMEFFL-MQLXINIDSA-N 376.749 -0.429 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1152437102 ZTIANRKZSCYPFC-NHYWBVRUSA-N 385.398 -0.391 5 10 GBBE CC(=O)NCCNC(=O)[C@@H](CC(N)=O)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330670949 GEHOYDTUBFOFCS-CYBMUJFWSA-N 391.384 -0.780 5 10 GBBE CN1C2(CCC2)COC[C@@]1(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 599387102 HNDYJHGCJDBMRD-HNNXBMFYSA-N 386.430 -0.116 5 10 GBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)n1 1319659661 WVSMOXNOLBQJMT-UHFFFAOYSA-N 388.388 -0.413 5 10 GBBE O=C1C[C@]2(CCN(C(=O)C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)C2)CN1 1328565782 HDKNAFCEFZPCHD-GOSISDBHSA-N 388.380 -0.077 5 10 GBBE O=C1CN(CCCNC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CCN1 1650894670 YRZLWJUPDAREMX-UHFFFAOYSA-N 387.400 -0.214 5 10 GBBE CCn1cc([N+](=O)[O-])c(=O)n(CC(=O)CN2C(=O)c3ccccc3C2=O)c1=O 2218975658 SOJHAVPDRWTGTP-UHFFFAOYSA-N 386.320 -0.197 5 10 GBBE CN1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(NC[C@H]2COCCN2C)n1 599161284 NQFLUWQIXKELQL-KBPBESRZSA-N 380.449 0.475 5 10 GBBE Cc1nn(CCC(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c(C)c1[N+](=O)[O-] 1152828861 AIBYWTQTFIPWAZ-AAXDQBDMSA-N 375.341 -0.232 5 10 GBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CN1CCOC1=O 1557064849 MUZAJKINDPBFBH-UHFFFAOYSA-N 386.386 -0.216 5 10 GBBE O=C(C(=O)N1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1)N1CCOCC1 1559057289 UJAZHHUTIYFRGC-UHFFFAOYSA-N 396.375 -0.266 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861134782 UWWWXIXQYNLFHK-WWCKUISVSA-N 390.396 -0.178 5 10 GBBE CCON(C)C(=O)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1326745358 GQDHMCVLJMKFNP-UHFFFAOYSA-N 394.388 -0.836 5 10 GBBE CN1CCN(C(=O)N2CCN(C(=O)c3cnc(O)c([N+](=O)[O-])c3)CC2)CC1 1616265895 QPNFNPAZGVJOHX-UHFFFAOYSA-N 378.389 -0.179 5 10 GBBE NCC(CO)(CO)NC(=O)c1ccc(I)c([N+](=O)[O-])c1 2296075758 ZCGMBKCSDKNCOA-UHFFFAOYSA-N 395.153 -0.389 5 10 GBBE CS(=O)(=O)N[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 265227058 ATXKOCJCIKYWAJ-GFCCVEGCSA-N 384.414 -0.135 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1152437098 ZTIANRKZSCYPFC-IAQYHMDHSA-N 385.398 -0.391 5 10 GBBE O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCCC1 1636962270 MNVGVZWMEAODNK-AWEZNQCLSA-N 379.417 -0.033 5 10 GBBE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)N1CCN(C)CC1 1640817669 CSFWZDWZOGXZAB-LBPRGKRZSA-N 381.437 -0.283 5 10 GBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOC[C@H]1CNS(C)(=O)=O 599507688 POYXBRRYWZJURV-GFCCVEGCSA-N 393.443 -0.158 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC(=O)NC1 1630900857 OBDZOFMQTLATQF-LLVKDONJSA-N 384.414 -0.142 5 10 GBBE COC(=O)c1ccc(S(=O)(=O)NCCCN2CCNCC2)cc1[N+](=O)[O-] 517154287 NINCGEFIWZWOJY-UHFFFAOYSA-N 386.430 -0.045 5 10 GBBE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 505390412 VHHKMRWOYVYYBK-LBPRGKRZSA-N 379.421 -0.222 5 10 GBBE CC1(C(N)=O)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 571637939 ZCEDCWIPRZQPMI-UHFFFAOYSA-N 384.414 -0.073 5 10 GBBE COC[C@@H]1C[C@@H](O)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 593811205 YZRIUGNKJODXBE-QWHCGFSZSA-N 387.414 -0.129 5 10 GBBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[S@]2=O 593871470 SNNGOOMPLXPXEP-BGBYCUJFSA-N 387.439 -0.005 5 10 GBBE CN(C)C(=O)[C@@H]1CCCN1CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599227070 QPXGUQJALLTHAC-NSHDSACASA-N 388.450 -0.451 5 10 GBBE CN1C(=O)C[C@H](NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C1=O 848048142 ARMZMVKWZWSUOM-VIFPVBQESA-N 382.279 -0.093 5 10 GBBE O=C1CCN(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C2(CN1)COC2 1583395831 SBTPYMYSUKXQGW-UHFFFAOYSA-N 376.325 -0.380 5 10 GBBE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cn1 1635452831 GLQXYPRHNONEQE-CYBMUJFWSA-N 388.384 -0.089 5 10 GBBE CN(C)CCNC(=O)[C@H](CC(N)=O)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861124864 SDUBWUBWUPFDMI-UZYOAWRESA-N 377.401 -0.354 5 10 GBBE O=C(O)CC[C@@H](NC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21)C(=O)O 31845674 VTPLIUUPEUTGTH-SECBINFHSA-N 381.297 -0.246 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](N2CCNCC2)C(F)(F)F)n1 599106611 IRUYGURFTQTSOK-VIFPVBQESA-N 386.356 -0.557 5 10 GBBE CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N2CCOCC2)CC1 917387993 VDWNAVGPJUOFKA-UHFFFAOYSA-N 391.428 -0.065 5 10 GBBE CN1CCN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC1=O 1327451309 WJUIXYJUKAVTHE-UHFFFAOYSA-N 378.389 -0.355 5 10 GBBE O=CNCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861132694 ZMFYZRQOIBWKPK-DOOVEFGSSA-N 390.396 -0.178 5 10 GBBE O=C1N[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CO1 282967937 MGMKWEMRWHLQPU-GFCCVEGCSA-N 384.370 -0.464 5 10 GBBE C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 414566285 DLRIEPWUKKWTTG-BBRMVZONSA-N 392.412 -0.148 5 10 GBBE CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 1328892000 KQJKGFYVDWWNIT-CQSZACIVSA-N 391.384 -0.407 5 10 GBBE COCCCNC(=O)C1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1329777490 KXKCNABDFQOOBP-UHFFFAOYSA-N 389.434 -0.118 5 10 GBBE O=C1N[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CO1 282895735 GPTXSHHIPWINLT-JTQLQIEISA-N 384.370 -0.464 5 10 GBBE CN1CCN(c2ccc(C(=O)N(CC(=O)O)CC(=O)O)cc2[N+](=O)[O-])CC1 1866348400 WYWCACQSIPGHLV-UHFFFAOYSA-N 380.357 -0.042 5 10 GBBE O=C(CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21)N[C@@H](Cc1cnc[nH]1)C(=O)O 31845556 OFVFWVPAADXCKH-NSHDSACASA-N 389.324 -0.145 5 10 GBBE O=C(CO)N1CCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 827429658 ACRGILYALNYEBQ-UHFFFAOYSA-N 398.322 -0.304 5 10 GBBE COC(=O)[C@@]1(N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CCOC1 1118883201 ZQSWHBHIYNXXLQ-MRXNPFEDSA-N 381.389 -0.342 5 10 GBBE Cn1cncc1[C@H](CO)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1149213226 OCDLXDXCDGNXAY-NSHDSACASA-N 375.341 -0.097 5 10 GBBE COC(=O)[C@@](C)(O)CN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1307871986 KVYZEMUYJLRRQF-AWEZNQCLSA-N 375.403 -0.271 5 10 GBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 1350424308 VCODMMIVTSMCCB-GFCCVEGCSA-N 389.420 -0.275 5 10 GBBE O=C(NCCN1CCOCC1)[C@@H]1C[C@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1 1861034834 SYXMMGCTIWSRJN-HOTGVXAUSA-N 392.412 -0.381 5 10 GBBE O=C([C@@H]1C[C@H](O)CN1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 262341034 AIPZFOVTRRDJAD-JSGCOSHPSA-N 384.414 -0.850 5 10 GBBE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 554675152 GAVOZICTDDYHHI-UHFFFAOYSA-N 380.386 -0.130 5 10 GBBE O=C(C(=O)N1CCC2(COC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 595132622 SPEMKWJHUXXLEG-UHFFFAOYSA-N 375.385 -0.113 5 10 GBBE C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CN1 599963182 YVXAPHAWLVHQCM-CHWSQXEVSA-N 376.417 -0.105 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)N2CCC(=O)NCC23COC3)c([N+](=O)[O-])c1 1598148464 MKAPNPLBEDWXRY-UHFFFAOYSA-N 383.382 -0.271 5 10 GBBE O=C(O)CN(C(=O)C=Cc1cccc([N+](=O)[O-])c1)[C@@H]1CS(=O)(=O)C[C@H]1O 2322775696 PLONMESESZNDHX-CHWSQXEVSA-N 384.366 -0.321 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 544720902 VUWADJLYSDYNRW-ZDUSSCGKSA-N 384.414 -0.249 5 10 GBBE C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O 1261682563 IGAJJISBJSRBNX-LLVKDONJSA-N 384.414 -0.297 5 10 GBBE CC(=O)CN1CCN(C(=O)CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 1869783937 XBPWYXPTJZZVOQ-UHFFFAOYSA-N 393.356 -0.034 5 10 GBBE O=C(NCC(=O)N1CC(N[C@H]2CCOC2)C1)NCc1ccc([N+](=O)[O-])cc1 1652691026 RGAXMGOBMOUKBP-ZDUSSCGKSA-N 377.401 -0.017 5 10 GBBE NS(=O)(=O)CC[C@H]1NC(=O)N(CCCOc2ccc([N+](=O)[O-])cc2)C1=O 408518570 OGVVOWAAMORSHQ-GFCCVEGCSA-N 386.386 -0.037 5 10 GBBE CN(C)CCN1C(=O)C[C@@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 414110711 OMSATXGHIWMHPE-CQSZACIVSA-N 376.417 -0.199 5 10 GBBE C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 571622481 VNHYHRFXADIBNE-TZMCWYRMSA-N 393.400 -0.753 5 10 GBBE N=c1ccc([N+](=O)[O-])c(N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)[nH]1 2173803884 BRTULIDVEJOKCF-BQBZGAKWSA-N 376.295 -0.239 5 10 GBBE C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 420145586 PHLIXQWAEOQGJK-OLZOCXBDSA-N 376.417 -0.247 5 10 GBBE CN(C)CCNS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c([N+](=O)[O-])c1 610588055 AJUKIMVOUIYXGM-TXEJJXNPSA-N 388.446 -0.633 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 732072889 BJWRBQABCVKXFQ-CYBMUJFWSA-N 388.384 -0.202 5 10 GBBE CN(C)C(=O)COC1CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 1465658579 QLAXOLJENUBXGZ-UHFFFAOYSA-N 385.398 -0.073 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1611571279 UPXNKPUTXCXFDB-AOOOYVTPSA-N 393.377 -0.306 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCSC[C@H]1CO 1630878919 YUGCBKNJLFAIMQ-SNVBAGLBSA-N 375.428 -0.191 5 10 GBBE NCC1(CCNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 593772556 TWYCXWUKLLXJIA-UHFFFAOYSA-N 376.417 -0.116 5 10 GBBE O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@@H]1COCCN1CC(F)F 798838742 RCPZNCJDCSPHHY-VIFPVBQESA-N 380.329 -0.239 5 10 GBBE O=C1COc2ccc([N+](=O)[O-])cc2N1CC(=O)N1CCC[C@@H](CO)[C@H]1CO 1638915162 BGUOKOPSIIHXBY-SMDDNHRTSA-N 379.369 -0.088 5 10 GBBE COC(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 1331169314 VVONPWBKBMLVQH-LBPRGKRZSA-N 391.384 -0.340 5 10 GBBE O=C(CN1CCOCC1=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 294423166 FQSVCXWSOPHXLQ-UHFFFAOYSA-N 376.369 -0.262 5 10 GBBE C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC(=O)N1C 565643152 VOYUDXMYTGWPIL-GFCCVEGCSA-N 390.400 -0.673 5 10 GBBE CCN1CCOC[C@@H]1C(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861407530 PYYBBKNKJGEJFA-CYBMUJFWSA-N 387.414 -0.175 5 10 GBBE C[C@@H]1CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCN1S(C)(=O)=O 1327375716 XTPOXJWEIWAGRZ-LLVKDONJSA-N 396.425 -0.071 5 10 GBBE COC(=O)[C@]1(N2CCN(C(=O)CCn3cc([N+](=O)[O-])nc3C)CC2)CCOC1 1331805200 GZMPXOQRMYCGSO-KRWDZBQOSA-N 395.416 -0.034 5 10 GBBE Cc1c(N=c2[nH]c(N3CC(O)C3)nc(=NC[C@@H](C)O)[nH]2)cccc1[N+](=O)[O-] 1871645431 KWJQFTDSOJGDGE-SECBINFHSA-N 375.389 -0.351 5 10 GBBE CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 271449891 VILPNWCTELHOEI-UHFFFAOYSA-N 389.434 -0.159 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)c([N+](=O)[O-])c1 1597553856 DTIBAHFDCFMEIT-MRXNPFEDSA-N 399.425 -0.483 5 10 GBBE CN1CCN(C(C)(C)CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 1628243755 SWAAETVPYXPVRY-UHFFFAOYSA-N 399.473 -0.002 5 10 GBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1632819936 CZHISNLEJPNJAW-UHFFFAOYSA-N 379.421 -0.389 5 10 GBBE Cn1cnc2c1c(=O)n(CCCn1cc([N+](=O)[O-])cc(F)c1=O)c(=O)n2C 573684143 RNVYASXLVRKDGT-UHFFFAOYSA-N 378.320 -0.267 5 10 GBBE NS(=O)(=O)NC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 599645487 ABUZDXYPGBZLTC-AWEZNQCLSA-N 383.430 -0.042 5 10 GBBE O=[N+]([O-])c1cccc(CS(=O)(=O)NCCS(=O)(=O)N2CCOCC2)c1 1253490024 FNYZBLDHCVMOAA-UHFFFAOYSA-N 393.443 -0.324 5 10 GBBE COC[C@]1(CO)CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1636853132 WCFYGLGHDZBRQW-OAHLLOKOSA-N 387.414 -0.270 5 10 GBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 1134760096 IZEMCEYWXDVXDU-CYBMUJFWSA-N 375.341 -0.213 5 10 GBBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)O[C@@H](CO)[C@@H](O)[C@H]1O 110339251 UBBCYDPSFMEFFL-PDWCTOEPSA-N 376.749 -0.429 5 10 GBBE CS(=O)(=O)c1ccc(NCCNC(=O)CCOC2CNC2)c([N+](=O)[O-])c1 578314738 KDXLVKAXMINOQS-UHFFFAOYSA-N 386.430 -0.095 5 10 GBBE CN(C)CCN1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1=O 844715188 VOTQBSCMZWTFRD-UHFFFAOYSA-N 375.385 -0.146 5 10 GBBE O=C(O)CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H]1CS(=O)(=O)C[C@H]1O 1866369650 LSQSHPNWFSUIBS-NXEZZACHSA-N 392.773 -0.067 5 10 GBBE CN1C(=O)[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]2C1=O 1438542155 HNIKXNLEWOUNSA-OUAUKWLOSA-N 390.352 -0.134 5 10 GBBE COC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 264759259 HZWDTATWIYWMCK-GFCCVEGCSA-N 389.430 -0.083 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] 463484835 UZPUPQIVWQHGGB-AWEZNQCLSA-N 377.401 -0.116 5 10 GBBE CC[N+]1(C)CCC(N(CCS(=O)(=O)N(C)C)C(=O)c2cn(C)nn2)CC1 1853553783 OGVUYHNEMLKYAO-UHFFFAOYSA-N 387.530 -0.222 5 10 GBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCO)cc1[N+](=O)[O-] 1861810393 WXDPGGUDDFBOBY-GXFFZTMASA-N 382.329 -0.505 5 10 GBBE CC(=O)NCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(C[C@H](C)O)C1=O 1863596512 WCIMCCUDAWGTHW-JTQLQIEISA-N 376.369 -0.219 5 10 GBBE CN[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 420108833 AHXBXWCITKOUEI-GFCCVEGCSA-N 377.401 -0.397 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 554361669 GCSAHKXOJCREIT-LBPRGKRZSA-N 384.414 -0.081 5 10 GBBE CN1C2(CCC2)COC[C@]1(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 599387107 HNDYJHGCJDBMRD-OAHLLOKOSA-N 386.430 -0.116 5 10 GBBE Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cn1 1296323534 QVCACJMQKGALCN-SRGMZFCMSA-N 379.398 -0.178 5 10 GBBE Cn1nc(N(CCO)CCO)nc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1869956893 HJMRBCAQMRJXKV-UHFFFAOYSA-N 395.332 -0.325 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)n1 599327651 VJENGKKZEVQQQM-NSHDSACASA-N 378.432 -0.084 5 10 GBBE CNS(=O)(=O)CCN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1646399172 PDZUNRCGXPXLKB-UHFFFAOYSA-N 380.448 -0.646 5 10 GBBE NC(=O)CC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)O 1866020508 JURLFROBXSRNAQ-NSHDSACASA-N 380.357 -0.120 5 10 GBBE CCN1CCN(c2nc(=NCCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871521383 IBEZGKMOLNFNIZ-UHFFFAOYSA-N 388.432 -0.087 5 10 GBBE Cn1[nH]c(=NC[C@H]2COCC3(CN(C(=O)OC(C)(C)C)C3)O2)nc1[N+](=O)[O-] 2371083115 VLICRRLAUJLYGF-JTQLQIEISA-N 384.393 -0.038 5 10 GBBE O=C1CN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1 265892727 QUOCALABGSBXLK-UHFFFAOYSA-N 375.341 -0.569 5 10 GBBE COc1ccc(S(=O)(=O)N2CCN([C@@H]3CCNC3=O)CC2)cc1[N+](=O)[O-] 269278440 NRNLBEMUHDFMFS-GFCCVEGCSA-N 384.414 -0.202 5 10 GBBE COc1ccc(C(=O)NCC(=O)NC[C@H]2CN3CCCN2CC3)cc1[N+](=O)[O-] 597625705 KFLVVPLMLMQWIA-AWEZNQCLSA-N 391.428 -0.161 5 10 GBBE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1csc([N+](=O)[O-])c1 598909800 GAMWEHPIFRIOKG-IUCAKERBSA-N 382.354 -0.036 5 10 GBBE COc1ccc(C(=O)NCC(=O)NCCN2CCC(O)CC2)cc1[N+](=O)[O-] 1158274312 WSGAXFOUCMKOKO-UHFFFAOYSA-N 380.401 -0.094 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)n1 1610177258 FIIXBCLQUWMGNN-KBPBESRZSA-N 384.414 -0.786 5 10 GBBE NC1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 861795830 KKAIQDADQVMBHF-UHFFFAOYSA-N 391.428 -0.133 5 10 GBBE Cc1c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NC[C@H](C)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861793338 JGNIODHNBBCBCP-OLXJLDBKSA-N 396.356 -0.116 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@@H]3CNC[C@H]3O)cc2[N+](=O)[O-])CC1 262152205 HULLTRFLHTZYPZ-WMLDXEAASA-N 391.428 -0.427 5 10 GBBE COc1ccc(C(=O)NCCNC(=S)N[C@H](CO)C(=O)O)cc1[N+](=O)[O-] 585867583 LXJXJGBTVDNFSC-SECBINFHSA-N 386.386 -0.757 5 10 GBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NCC[S@@](=O)CC(F)(F)F 1118646074 YCDAHRVCMXEBLX-RUZDIDTESA-N 385.324 -0.665 5 10 GBBE COCCN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1=O 1458077301 RUJYQAKCJWIZPP-UHFFFAOYSA-N 385.398 -0.071 5 10 GBBE O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1 62064112 XDEPFZGFGPTYBC-VIFPVBQESA-N 377.400 -0.824 5 10 GBBE COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1155754820 MVDUMNFZJFYQRI-UHFFFAOYSA-N 388.812 -0.166 5 10 GBBE O=C1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 1324889440 GTQUXYLMITYMTC-UHFFFAOYSA-N 375.385 -0.408 5 10 GBBE Cn1nccc1[C@H]1COCCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1326712047 MKARPRATGMSNHI-CYBMUJFWSA-N 377.361 -0.759 5 10 GBBE Cn1cnnc1N1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 1330002414 MEDCUHCEBSCXLS-UHFFFAOYSA-N 387.400 -0.269 5 10 GBBE COc1cc(C(=O)NCCNC(=S)NCCOCCO)ccc1[N+](=O)[O-] 586404227 ANWPEYQQRNCOKR-UHFFFAOYSA-N 386.430 -0.194 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CC(N[C@H]3CCOC3)C2)cc1[N+](=O)[O-] 1456301219 RYIRYPKREKIBKF-LBPRGKRZSA-N 378.385 -0.078 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 517748308 GVGSXHUCLAOZRW-VIFPVBQESA-N 379.416 -0.084 5 10 GBBE O=C(C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1118263792 VRHREDZBFOHPKW-LSXCKUSFSA-N 392.437 -0.025 5 10 GBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC[C@@H]1COc2ccccc2O1 1340521850 OFSOFGQDYGCWAQ-GFCCVEGCSA-N 375.341 -0.136 5 10 GBBE CNC(=O)NCCNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1469302543 DUXGTSHTGSFHHB-UHFFFAOYSA-N 392.416 -0.078 5 10 GBBE CC(=O)NCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861028925 SPCPFYZIAQZBLC-LLVKDONJSA-N 399.791 -0.526 5 10 GBBE O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 534509588 KDFHGKJJBOWILE-GFCCVEGCSA-N 396.425 -0.034 5 10 GBBE Nc1nccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 547751776 ARBKIUNLPIRAFD-UHFFFAOYSA-N 378.389 -0.811 5 10 GBBE CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCO1 1328768301 DJQCJLFQQBDIEH-CYBMUJFWSA-N 393.400 -0.290 5 10 GBBE O=C(CCC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)c1cccc([N+](=O)[O-])c1 1558509017 UOVKUGLMNZKMNC-ZDUSSCGKSA-N 382.398 -0.082 5 10 GBBE C[C@@H](O)[C@H](NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026270 KFAZEJUADWAZHW-OQPBUACISA-N 379.325 -0.079 5 10 GBBE O=C(CCCNC(=O)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1)NC1CC1 1867359637 CYGCYBGGOGDXAH-CQSZACIVSA-N 378.385 -0.140 5 10 GBBE CN(CC(=O)NC[C@]12COCCN1C(=O)COC2)c1ccccc1[N+](=O)[O-] 1535336501 QIVBCYFFYYSWPR-QGZVFWFLSA-N 378.385 -0.225 5 10 GBBE C[C@H](O)CNC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861125218 HGSGDOHHKMSGFR-XBPBBPMZSA-N 378.385 -0.145 5 10 GBBE CNc1nccc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1[N+](=O)[O-] 520608031 OVQCKVOAJHVBNX-UHFFFAOYSA-N 386.434 -0.014 5 10 GBBE NC[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 595931767 XUMVXKVCXFSSPZ-HUUCEWRRSA-N 398.441 -0.209 5 10 GBBE CN1CCOC[C@H]1CNc1nc(NC[C@@H]2COCCN2C)c([N+](=O)[O-])s1 599160082 DJRUDTXWNNOEEF-VXGBXAGGSA-N 386.478 0.536 5 10 GBBE O=C(CN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1)N1CCOCC1 742272038 RFBALOGMQCGPTH-UHFFFAOYSA-N 399.429 -0.845 5 10 GBBE C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 840976727 FCHIXSCWGANNLW-XJKSGUPXSA-N 392.412 -0.148 5 10 GBBE O=C(/C=C\CN1CCOCC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1293316966 HDZIZRTUDLVJKA-UTCJRWHESA-N 398.441 -0.122 5 10 GBBE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 1634613456 IJKCKWPGHZUKLA-NQBHXWOUSA-N 396.425 -0.001 5 10 GBBE Nc1c(Cl)cc(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1[N+](=O)[O-] 1652501955 XYGYZPLZLHARLT-MRVPVSSYSA-N 375.794 -0.195 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265689672 YDVIXYVZWZGRBF-ZDUSSCGKSA-N 384.414 -0.048 5 10 GBBE C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 414584089 IMRWZBSXNBQAJZ-XJKSGUPXSA-N 392.412 -0.148 5 10 GBBE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 495955396 WQBMAOCUXFHDIV-IDMWTJEOSA-N 393.352 -0.292 5 10 GBBE COc1cc(OCC(=O)NC[C@@]23COCCN2C(=O)COC3)ccc1[N+](=O)[O-] 1462242935 UAZHVYDMGFWEPQ-KRWDZBQOSA-N 395.368 -0.274 5 10 GBBE CN(CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 1625853234 QLVGUMLHEJEPSP-ZDUSSCGKSA-N 397.457 -0.243 5 10 GBBE Cc1c(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCNC=O)cccc1[N+](=O)[O-] 1861010558 LNEXPWRXRAAVBN-LBPRGKRZSA-N 379.373 -0.871 5 10 GBBE O=CNCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C=Cc1ccccc1[N+](=O)[O-] 2330663861 FWSAXHJLPCMPIH-GOEBONIOSA-N 390.396 -0.178 5 10 GBBE CN(C)S(=O)(=O)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 544197978 ZYDHWOIUYUYUFL-UHFFFAOYSA-N 390.443 -0.168 5 10 GBBE O=C(NCCNC(=S)N1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1 585869671 SLJGHFKDWLERLJ-UHFFFAOYSA-N 381.458 -0.191 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 596098276 KBRUFVCKLFHJMV-UHFFFAOYSA-N 384.414 -0.536 5 10 GBBE CC[C@@H](C)[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 1353683682 FKFCNJYLGJIEFL-TZMCWYRMSA-N 396.448 -0.079 5 10 GBBE CN(C)C1CCN(CCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 1566214285 ZIWWILOHJRNIGX-UHFFFAOYSA-N 399.473 -0.002 5 10 GBBE CN1CCO[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 467937990 LQRVHCQZRBCEAS-HNNXBMFYSA-N 398.441 -0.242 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 502732767 NMEAFLBHXSGXNE-KGLIPLIRSA-N 384.414 -0.474 5 10 GBBE COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 540125402 NTVDESOWYNQZJR-LBPRGKRZSA-N 382.421 -0.373 5 10 GBBE CN(C)CCN1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1=O 593486208 PWIVNQRVGOYWJS-UHFFFAOYSA-N 376.417 -0.005 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N3C[C@@H](O)C[C@@H](O)C3)cc2[N+](=O)[O-])CC1 610669338 SXSKDQWHBXLFMW-GASCZTMLSA-N 392.412 -0.169 5 10 GBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 1331341068 WEMLHLVLFSJIPF-CHWSQXEVSA-N 386.478 -0.025 5 10 GBBE O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCN2CCOC[C@@]2(CO)C1 1456232195 FTDHRWBJRPARFX-AEFFLSMTSA-N 390.396 -0.007 5 10 GBBE COCCNC(=O)Cn1cnc2c(nnn2Cc2ccc([N+](=O)[O-])cc2)c1=O 1870103534 JIFPDLYBZATKMA-UHFFFAOYSA-N 387.356 -0.293 5 10 GBBE NC(=O)CC[C@H](NC(=S)NCCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 585858228 NLUPLPOGZOWTNH-NSHDSACASA-N 397.413 -0.493 5 10 GBBE NC[C@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 595931769 XUMVXKVCXFSSPZ-LSDHHAIUSA-N 398.441 -0.209 5 10 GBBE CC(C)N1C(=O)CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1(C)C 1323905146 KMIWEFBINDWQGF-UHFFFAOYSA-N 380.405 -0.235 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(NC2COC2)C1 1639675357 NZCFJLWQMGLKSH-UHFFFAOYSA-N 384.414 -0.538 5 10 GBBE Cc1c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCCO)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861792671 DNRNWTOSYHOWET-BXUZGUMPSA-N 396.356 -0.115 5 10 GBBE O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC(F)(F)CN1 262959906 KPBHXCXDVMISFI-NSHDSACASA-N 378.357 -0.014 5 10 GBBE NC(=O)CN1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1=O 413427382 ZHPBYHBBOFDPTB-UHFFFAOYSA-N 377.401 -0.439 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2C(=O)OC[C@H]2C1 1566280319 UJYDNWHZIUTIMG-SNVBAGLBSA-N 384.370 -0.464 5 10 GBBE C[C@H](O)CN1C(=O)C(NCCCNC=O)=C(c2ccccc2[N+](=O)[O-])C1=O 1863596598 YAZYHYZEDYZIEY-NSHDSACASA-N 376.369 -0.219 5 10 GBBE O=C(c1csc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 52406126 JOKQYOHFYXYFTG-UHFFFAOYSA-N 390.443 -0.009 5 10 GBBE C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 414566291 DLRIEPWUKKWTTG-XJKSGUPXSA-N 392.412 -0.148 5 10 GBBE CN(CC(=O)NCC[C@H]1CNC(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1537347120 CMVGDSQLHUNMDP-LLVKDONJSA-N 384.414 -0.142 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2C(=O)OC[C@@H]2C1 1566280318 UJYDNWHZIUTIMG-JTQLQIEISA-N 384.370 -0.464 5 10 GBBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCOCC3)nc(=NCCCO)[nH]2)c1 1871520430 HTDBPIHPRIOTDO-UHFFFAOYSA-N 375.389 -0.002 5 10 GBBE COc1cc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] 268245655 IVCSYTMEZAJYGT-SECBINFHSA-N 379.416 -0.084 5 10 GBBE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCNC(=S)N[C@H](CO)C(=O)O 585859006 UZTSOLZROQJLOJ-MJRJWQSSSA-N 382.398 -0.366 5 10 GBBE CS(=O)(=O)N[C@@H]1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 735073674 SJPINRLMSIKJMS-LLVKDONJSA-N 397.413 -0.056 5 10 GBBE CS(=O)(=O)N[C@H]1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 735073675 SJPINRLMSIKJMS-NSHDSACASA-N 397.413 -0.056 5 10 GBBE COC(=O)CCN1CCC[C@H](OC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1=O 1118454225 GZDKWTZQRAVPRE-ZDUSSCGKSA-N 381.341 -0.146 5 10 GBBE O=C(NC[C@@]12COCCN1C(=O)COC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 1532281076 JCHMMXJDUPTNFO-KRWDZBQOSA-N 393.352 -0.276 5 10 GBBE Cn1c(N2CCN(CC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc(=O)n(C)c1=O 1849710555 VHWXZVWCXXNADL-UHFFFAOYSA-N 387.396 -0.003 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CNCCCO1 449714286 ZXFGZEFFUOCJQN-CYBMUJFWSA-N 386.430 -0.242 5 10 GBBE CNC(=O)NC[C@@H]1COCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1308025853 XUQDXHBCPFGTMT-CYBMUJFWSA-N 386.430 -0.002 5 10 GBBE CS(=O)(=O)N1CCN(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 1583408798 SDINBHFPFSPHMJ-UHFFFAOYSA-N 388.421 -0.030 5 10 GBBE NS(=O)(=O)NC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 599645492 ABUZDXYPGBZLTC-CQSZACIVSA-N 383.430 -0.042 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C 609542555 IODFEBVUVDDNKT-LBPRGKRZSA-N 384.414 -0.081 5 10 GBBE CN1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)[C@@H](CO)C1 1586015481 GMYDMWAYWGRVRB-GFCCVEGCSA-N 376.369 -0.003 5 10 GBBE CN(CCO)c1nc(=NCCO)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871578252 WDPPHIKGZQGAIB-UHFFFAOYSA-N 383.796 -0.147 5 10 GBBE O=C(CN1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1)N1CCOCC1 281290501 XVPWXJXHJJQFSP-UHFFFAOYSA-N 378.385 -0.083 5 10 GBBE C[C@@H]1CO[C@H](CO)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 492527669 MIEDNVFOSJXVAD-YPMHNXCESA-N 387.414 -0.129 5 10 GBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC[C@H](O)CN1CCOCC1 574750198 KKGAGMDAPZBVLP-ZDUSSCGKSA-N 388.446 -0.844 5 10 GBBE CC[C@@H]1NCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 599965752 UTADTLOUWATIEV-UONOGXRCSA-N 376.417 -0.105 5 10 GBBE O=C1NCC[C@@H]1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 597857927 WDYMEZGSUDLYGU-QWHCGFSZSA-N 382.398 -0.247 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCS(=O)(=O)CCO1 1586542010 KQGWIQJEQFDJQV-UHFFFAOYSA-N 385.354 -0.491 5 10 GBBE C[C@@H]1CN(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])cnn3C)CC2)C[C@@H](C)O1 1611788637 OCUSPZKUHIPBSL-VXGBXAGGSA-N 388.450 -0.196 5 10 GBBE O=C(C(=O)N1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1)N1CCCC1 1141786018 PHQYSNXYNUGWGY-UHFFFAOYSA-N 384.780 -0.122 5 10 GBBE Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)n1 1143326983 OYEPDUVZGDWFSQ-KBPBESRZSA-N 384.414 -0.474 5 10 GBBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(NC2COC2)C1 1456509837 DTQYYTURFJJBEX-UHFFFAOYSA-N 384.414 -0.538 5 10 GBBE CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)c([N+](=O)[O-])c1 283678905 FYQBQABXKNIIPC-LLVKDONJSA-N 398.397 -0.245 5 10 GBBE COC(=O)CCN1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 599271880 JHMFIVKPFOQQEP-JTQLQIEISA-N 375.407 -0.414 5 10 GBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@]12COCCN1C(=O)COC2 1532280574 GTXWIGPEXTWANH-KRWDZBQOSA-N 389.368 -0.312 5 10 GBBE Cc1c(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCCNC=O)cccc1[N+](=O)[O-] 1861012586 JXWLZWPMURSRQP-WFASDCNBSA-N 378.385 -0.269 5 10 GBBE NC(=O)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCCNC=O 1861027811 GSRMXLNKBJOBKP-NSHDSACASA-N 399.791 -0.526 5 10 GBBE Cc1c(N=c2[nH]c(=NCCCO)[nH]c(=NCCCO)[nH]2)cccc1[N+](=O)[O-] 1871468842 UYDSFEFMJUSXIS-UHFFFAOYSA-N 377.405 -0.314 5 10 GBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 558042468 GNVCTJKHLHUTCX-GFCCVEGCSA-N 388.450 -0.123 5 10 GBBE CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CN(S(=O)(=O)N(C)C)C1 599501642 SVPUTPWYGXLWDA-UHFFFAOYSA-N 392.459 -0.074 5 10 GBBE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 843253319 KANYQIDLMARLFI-GFCCVEGCSA-N 375.385 -0.110 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCN(CCN2CCOCC2)C1 1136743211 LKCVIPYIQPXJIT-AWEZNQCLSA-N 379.417 -0.721 5 10 GBBE O=CNCCCN1C(=O)C(NCCCO)=C(c2ccccc2[N+](=O)[O-])C1=O 1863602145 UEGRJYAAWSWEIC-UHFFFAOYSA-N 376.369 -0.217 5 10 GBBE COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2[C@H](CNS2(=O)=O)C1 1198061079 OMMPCDCGYYEJTQ-GFCCVEGCSA-N 399.429 -0.234 5 10 GBBE O=C(C(=O)N1CC[C@](O)(C(F)F)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1327274927 HBBOJVAIENVQQH-MRXNPFEDSA-N 399.354 -0.133 5 10 GBBE C[C@H]1CN2CCN1C[C@H]2C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1633694176 PYMZTFREGBGDNP-WFASDCNBSA-N 382.442 -0.127 5 10 GBBE CN(C)S(=O)(=O)N1CC(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)C1 863544128 LPWADDXCGAPVQU-UHFFFAOYSA-N 386.415 -0.180 5 10 GBBE CN(CC(=O)N1C[C@H]2C(=O)OC[C@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 863761401 XXURDIPVYRUJKC-ZWNOBZJWSA-N 383.382 -0.153 5 10 GBBE NCc1nc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)no1 261608275 BOYCYRVSGPRYOK-UHFFFAOYSA-N 382.402 -0.057 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@](C)(O)CO)cc2[N+](=O)[O-])CC1 558874325 MQEKEEKDMNWCPI-KRWDZBQOSA-N 380.401 -0.264 5 10 GBBE N[C@@H](CCCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1866023773 GVIZJZMHWSLXAY-JTQLQIEISA-N 378.341 -0.111 5 10 GBBE O=C(O)CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CS(=O)(=O)C[C@@H]1O 1866359632 GLNQQBXTFXRPBD-QWRGUYRKSA-N 392.773 -0.067 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861128653 XMZCOWUMKMBCFB-KBKYZLAFSA-N 390.396 -0.178 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330587860 XMZCOWUMKMBCFB-HZPDHXFCSA-N 390.396 -0.178 5 10 GBBE CN(CC(=O)N1CCOCC1)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1628120422 SCTATIGRPKDFMF-UHFFFAOYSA-N 385.398 -0.071 5 10 GBBE O=C(CCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1O)NCCO 1859133881 KDJWPQSRAZQBCM-UHFFFAOYSA-N 376.329 -0.221 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C 520364764 YULLJGFPNCTTSA-GFCCVEGCSA-N 384.414 -0.081 5 10 GBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NCCS(=O)(=O)N1CCSCC1 594754143 HLAIGVPKMFMAGF-UHFFFAOYSA-N 396.472 -0.353 5 10 GBBE NS(=O)(=O)NC1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 1470765396 ZZLLJFWZAMDLHG-UHFFFAOYSA-N 383.430 -0.185 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CN1CCCC1=O 1639894374 DBCFOLNOARHOHA-UHFFFAOYSA-N 384.414 -0.046 5 10 GBBE CN1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 557516040 MDBDSNLVHOVVGK-CYBMUJFWSA-N 384.414 -0.048 5 10 GBBE O=C(CCOC1CNC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 591674674 NYGUALMOTOYKPE-UHFFFAOYSA-N 398.441 -0.194 5 10 GBBE COc1ccc(CNC(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] 598966846 JQWFBPUZTHNZEQ-UHFFFAOYSA-N 387.418 -0.107 5 10 GBBE CNCCOCCN(C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 600796040 DRDXRCHAVRXVPK-UHFFFAOYSA-N 393.444 -0.062 5 10 GBBE O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCN2[C@@H](CNS2(=O)=O)C1 1654881774 LDDIFWMWNUQRTC-LBPRGKRZSA-N 397.413 -0.273 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 1861819274 HRVIRXDIYZZUIT-ZFWWWQNUSA-N 378.385 -0.269 5 10 GBBE CC(C)(C)OC(=O)N1CCOC[C@@](O)(Cn2cc([N+](=O)[O-])c(O)nc2=O)C1 2156775314 IDKKPKLFDSMPON-HNNXBMFYSA-N 386.361 -0.145 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C=Cc1cccc([N+](=O)[O-])c1 2330623743 AICPSPASHPGPPE-JKSUJKDBSA-N 390.396 -0.178 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 599668242 UIUFAWNQUCPRQI-AWEZNQCLSA-N 398.441 -0.266 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1csc([N+](=O)[O-])c1 768836810 JDAUSMGQLUJVJP-SECBINFHSA-N 376.416 -0.328 5 10 GBBE COc1cc(OCC(=O)N2CCS(=O)(=O)C[C@H]2CCO)ccc1[N+](=O)[O-] 1646011953 RTKVDWHUVLCWPZ-LLVKDONJSA-N 388.398 -0.010 5 10 GBBE CC(=O)NCCN1C(=O)C(NCCN(C)C)=C(c2ccccc2[N+](=O)[O-])C1=O 1863592408 XPNMRLOWBBNLCO-UHFFFAOYSA-N 389.412 -0.038 5 10 GBBE Cc1nn2c(=O)c3ccccc3nc2n(NC(=O)c2cc(C)n(CCO)n2)c1=O 96605688 LDBPHASFRWNERA-UHFFFAOYSA-N 395.379 -0.406 5 10 GBBE NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1=O 577887516 TYKOLWWFVRGALI-UHFFFAOYSA-N 381.364 -0.296 5 10 GBBE C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1 599963042 WQGUOIXYFRCWLZ-OLZOCXBDSA-N 376.417 -0.105 5 10 GBBE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 372807263 RDFNRQRMJXESEU-LLVKDONJSA-N 389.434 -0.159 5 10 GBBE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 592439913 IKUSVJNOGCMXJB-NSHDSACASA-N 376.373 -0.715 5 10 GBBE CN1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)S1(=O)=O 592597565 AKCXHAOLTOEXPJ-AWEZNQCLSA-N 396.425 -0.087 5 10 GBBE Cc1[nH]c(=NC[C@@H]2COCCN2C)[nH]c(=NC[C@H]2COCCN2C)c1[N+](=O)[O-] 599160058 CQFJBRSGNBLKFA-UONOGXRCSA-N 395.464 -0.978 5 10 GBBE CN(C)S(=O)(=O)N1CC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 599501702 UXFQKKSOCITHLL-UHFFFAOYSA-N 392.459 -0.453 5 10 GBBE CN1C(=O)[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 1328096585 YQUPVDXMIGJAAA-CYBMUJFWSA-N 386.368 -0.389 5 10 GBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC12COCCN1CCOC2 1454287827 WVZZNMUWDQCAHJ-UHFFFAOYSA-N 378.385 -0.458 5 10 GBBE NC(=O)[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2cc(N)c([N+](=O)[O-])cn2)C1 2173845070 JBEOMOSIOFDSPT-RQJHMYQMSA-N 376.295 -0.069 5 10 GBBE CNS(=O)(=O)c1ccc(N2CCN3CCOC[C@@]3(CO)C2)c([N+](=O)[O-])c1 1458635801 CTMPVUWWPMYABM-HNNXBMFYSA-N 386.430 -0.614 5 10 GBBE O=C(O)CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CS(=O)(=O)C[C@H]1O 1866330131 FJHMWXQWYUYBPL-GHMZBOCLSA-N 392.773 -0.067 5 10 GBBE Cn1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2S(C)(=O)=O)nc1[N+](=O)[O-] 2344963747 SZXKFGCADYDHOG-RKDXNWHRSA-N 390.422 -0.410 5 10 GBBE C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 414584086 IMRWZBSXNBQAJZ-BBRMVZONSA-N 392.412 -0.148 5 10 GBBE C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCN1CCO 428547535 PHWVVCBOJWKSLG-LLVKDONJSA-N 376.369 -0.284 5 10 GBBE Cn1c(O)c([C@H](NC(=N)N)C(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 606655457 QWKQUYQVDAQPKI-JTQLQIEISA-N 376.329 -0.895 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)N2CCN(CCO)CC2)c1 1859215387 QAQHQCCJQRUYFX-LBPRGKRZSA-N 380.401 -0.142 5 10 GBBE O=C(NC[C@@H]1CNC[C@H]1O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 262357968 UZDROCHPALKYOX-TUKIKUTGSA-N 398.441 -0.556 5 10 GBBE O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1)N1CCNCC1 595104000 ALIRQZHNSDPUFA-LBPRGKRZSA-N 383.430 -0.178 5 10 GBBE CC[S@](=O)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 805615579 FURXGAGHOZXRSC-SANMLTNESA-N 383.430 -0.477 5 10 GBBE CS(=O)(=O)N1CC(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1444486518 JUABNCPBIAZYNW-UHFFFAOYSA-N 396.425 -0.229 5 10 GBBE O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@]12COCCN1C(=O)COC2 1535335153 DQFCBSPVDASBOD-INIZCTEOSA-N 383.332 -0.143 5 10 GBBE Cn1cc(C[C@@H](CO)NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cn1 1638404198 JOAXRHZXDDTEGG-LBPRGKRZSA-N 389.368 -0.227 5 10 GBBE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 574347941 KUXJNLHYEJWXKJ-LLVKDONJSA-N 388.450 -0.087 5 10 GBBE CNCCOCCN(C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 600796872 KIYPZPFQEUGZEM-UHFFFAOYSA-N 393.444 -0.062 5 10 GBBE COC(=O)[C@@]1(N2CCN(C(=O)N=c3cc[nH]cc3[N+](=O)[O-])CC2)CCOC1 1329026660 KVYLHHUIUYQQBI-MRXNPFEDSA-N 379.373 -0.107 5 10 GBBE NC(=O)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCCNC=O 1861027810 GSRMXLNKBJOBKP-LLVKDONJSA-N 399.791 -0.526 5 10 GBBE NC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1ccnc1 1861033813 NNZAYTCIBDSOMU-CQSZACIVSA-N 388.384 -0.028 5 10 GBBE O=C(O)CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CS(=O)(=O)C[C@H]1O 1866359633 GLNQQBXTFXRPBD-WDEREUQCSA-N 392.773 -0.067 5 10 GBBE C[C@H](O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 414056590 QZBSLJRDFXNVPW-SMDDNHRTSA-N 387.414 -0.129 5 10 GBBE O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCN3C[C@H](O)C[C@H]3C1)OCCO2 594478334 PNHAGTUHNJSSTB-WDEREUQCSA-N 385.398 -0.195 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CCO)CCOCC(F)(F)F)n1 599244805 LWPNSOIURLVTAX-UHFFFAOYSA-N 376.313 -0.110 5 10 GBBE CN1C[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)N(C(=O)OC(C)(C)C)CC1=O 1126997626 BHBWOCZBNRXGMX-LBPRGKRZSA-N 396.404 -0.015 5 10 GBBE COc1ccc(NC(=O)COc2nonc2CC(=O)NCCO)c([N+](=O)[O-])c1 1872643918 DEJAPZDIPXALAE-UHFFFAOYSA-N 395.328 -0.345 5 10 GBBE COc1ccnc(N2CCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])CC2)n1 599222027 QBGAQMIGTXONFS-UHFFFAOYSA-N 383.390 -0.362 5 10 GBBE C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)CN1CCN(C)CC1 1464881019 NBPJJCSVNIJHPJ-GFCCVEGCSA-N 399.473 -0.145 5 10 GBBE CN1CCN(C(=O)N2CCN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)CC2)CC1 1542960708 HXQAEHVHUVHQEF-UHFFFAOYSA-N 377.405 -0.303 5 10 GBBE NC(=O)Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O 1870100886 NFRQCEUHEQDSQH-UHFFFAOYSA-N 387.312 -0.704 5 10 GBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1651247523 GNMUPIVCCOKSJV-GFCCVEGCSA-N 387.414 -0.433 5 10 GBBE CCOC(=O)[C@H](CC(N)=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866024491 ZJYYJWBOUALIKQ-VIFPVBQESA-N 392.324 -0.886 5 10 GBBE Cc1c(C(=O)NCCNC(=S)NCC(=O)NCC(=O)O)cccc1[N+](=O)[O-] 585860651 KLMWSQZBAHDCMJ-UHFFFAOYSA-N 397.413 -0.702 5 10 GBBE Cn1cc([C@@H]2C[S@](=O)CCN2S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cn1 1261794079 DIPXLECPWJAUOW-APXPCNQMSA-N 388.431 -0.444 5 10 GBBE CN(C)CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 593901658 FXQLWGPWMUMLGN-OAHLLOKOSA-N 399.473 -0.293 5 10 GBBE CNC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 817761170 JBHQNQKFSNVOTD-CYBMUJFWSA-N 389.412 -0.162 5 10 GBBE C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594742540 OKTPTXKBWVVMNA-LLVKDONJSA-N 383.430 -0.037 5 10 GBBE COc1ccc(NC(=O)CN2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1308097289 NELIQHCTBYUYJX-JTQLQIEISA-N 385.402 -0.624 5 10 GBBE O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@]12COCCN1C(=O)COC2 1535335154 DQFCBSPVDASBOD-MRXNPFEDSA-N 383.332 -0.143 5 10 GBBE CN1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 557516041 MDBDSNLVHOVVGK-ZDUSSCGKSA-N 384.414 -0.048 5 10 GBBE O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 604037637 LWRDNFRYGXFTIC-UHFFFAOYSA-N 396.425 -0.046 5 10 GBBE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 1556604094 WBXUDPUBXXNNIQ-ZDUSSCGKSA-N 388.384 -0.089 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCSC[C@@H]1CO 1630878918 YUGCBKNJLFAIMQ-JTQLQIEISA-N 375.428 -0.191 5 10 GBBE CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 416480351 QLQCINAORRYCPZ-UHFFFAOYSA-N 392.459 -0.018 5 10 GBBE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 469919861 XWWJZFJKVWCNEO-WDEREUQCSA-N 388.450 -0.023 5 10 GBBE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)CN1CCOCC1 508339271 KNGVEJLRZQYVHB-QWHCGFSZSA-N 384.437 -0.363 5 10 GBBE CN1C[C@H](NC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC1=O 1326610423 GPPKDVIKSPKSBV-LLVKDONJSA-N 376.369 -0.079 5 10 GBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCS(=O)(=O)N1CCSCC1 1456135298 NYQGWNAJPDZJPQ-UHFFFAOYSA-N 377.448 -0.405 5 10 GBBE CCn1ncc(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 859402756 FRVKZRAXTCLEJX-UHFFFAOYSA-N 388.388 -0.434 5 10 GBBE O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC2(C[C@H](O)CNC2=O)C1 1595698455 HHZNOEMUVHOWFV-LBPRGKRZSA-N 390.396 -0.246 5 10 GBBE O=C(O)CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CS(=O)(=O)C[C@@H]1O 1866330132 FJHMWXQWYUYBPL-MNOVXSKESA-N 392.773 -0.067 5 10 GBBE CCn1cc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c([N+](=O)[O-])n1 611106334 GQGPIBPAPLFLMQ-NSHDSACASA-N 387.418 -0.131 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2C(=O)CC[C@@H]2C1 1636373381 NPLZOJLCQOBSCL-LLVKDONJSA-N 382.398 -0.294 5 10 GBBE O=C1N[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CO1 282895739 GPTXSHHIPWINLT-SNVBAGLBSA-N 384.370 -0.464 5 10 GBBE CCn1cc(S(=O)(=O)N2CCN(c3nccn(C)c3=O)CC2)c([N+](=O)[O-])n1 611106612 KQHPAJABZDBIJK-UHFFFAOYSA-N 397.417 -0.584 5 10 GBBE CCN1C(=O)[C@H]2CN(C(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)CCN2C1=O 1321459535 GXXMQXXCGWVRJY-CYBMUJFWSA-N 389.368 -0.294 5 10 GBBE CCN1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 1567642746 DRTCDZCAXQNARS-UHFFFAOYSA-N 384.414 -0.046 5 10 GBBE O=[N+]([O-])c1ccc(N2CC(NC3COC3)C2)c(S(=O)(=O)N2CCOCC2)c1 1640459021 LEABGNZYMSAZIZ-UHFFFAOYSA-N 398.441 -0.207 5 10 GBBE O=C(Nc1ccc(I)cc1[N+](=O)[O-])[C@@H]1NC[C@@H](O)[C@H]1O 2201159831 GDIUBWWOCHIXLA-OPRDCNLKSA-N 393.137 -0.169 5 10 GBBE O=C1C[C@H](CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 596641696 ADHUOXULRRQRBT-LLVKDONJSA-N 382.398 -0.294 5 10 GBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 1537268504 VFQBGBWZQZQDJO-LLVKDONJSA-N 379.325 -0.178 5 10 GBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 1618381250 ORDBBQHLZPIPGT-CYBMUJFWSA-N 392.368 -0.443 5 10 GBBE CS(=O)(=O)c1ccc(N2CCS(=O)(=O)C[C@@H]2CCO)c([N+](=O)[O-])c1 1655872556 LUMWEUHTSZMHFG-JTQLQIEISA-N 378.428 -0.016 5 10 GBBE O=C(NCCN1CCOCC1)[C@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1 1861038003 QLORUJHOJWXGMS-HZPDHXFCSA-N 392.412 -0.381 5 10 GBBE CN(C)S(=O)(=O)N1CC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 599185225 NQJJXISNZCOKIL-UHFFFAOYSA-N 378.432 -0.099 5 10 GBBE C[C@H](O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861124463 QAYKPIIBHUHHDI-MRMKPGFVSA-N 378.385 -0.145 5 10 GBBE O=C(O)CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CS(=O)(=O)C[C@@H]1O 1866311259 PLONMESESZNDHX-DRHCNIFCSA-N 384.366 -0.321 5 10 GBBE CCn1cc([N+](=O)[O-])c(=O)n(C[C@H](O)CN2C(=O)c3ccccc3C2=O)c1=O 2085012672 YESUOAIOGYIGBK-SNVBAGLBSA-N 388.336 -0.405 5 10 GBBE NC(=O)[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2nc(F)ncc2[N+](=O)[O-])C1 2162865839 RJOMYQHYAUAFKA-RITPCOANSA-N 380.258 -0.117 5 10 GBBE CN1CC(CN(C)C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 595131953 NIZLPXXQDRHYJH-UHFFFAOYSA-N 376.417 -0.342 5 10 GBBE CN1C[C@@H](COCCN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)OCC1=O 1853165721 HABOZEOJNHLLHT-HNNXBMFYSA-N 379.417 -0.014 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H]1CCS(=O)(=O)C1 1891099924 BNJMQRQAPXCSQK-VIFPVBQESA-N 381.366 -0.258 5 10 GBBE COC(=O)c1ccnc(N2CCN(C(=O)CN3CCOCC3)CC2)c1[N+](=O)[O-] 590572354 IOVQBVBHBLBVDB-UHFFFAOYSA-N 393.400 -0.243 5 10 GBBE CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593599599 WSEDGVFVGXHBHH-UHFFFAOYSA-N 393.447 -0.507 5 10 GBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)N2CCNCC2)CC1 599920755 MJTDBCLCQBSDQO-UHFFFAOYSA-N 380.409 -0.856 5 10 GBBE CCc1[nH]nc(C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)c1[N+](=O)[O-] 1118942816 GMKGMGPIBLJFTQ-MRXNPFEDSA-N 381.389 -0.030 5 10 GBBE NC(=O)C1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 1860754758 BCTMVEMZXVBTBO-UHFFFAOYSA-N 390.400 -0.638 5 10 GBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCCO)cc1[N+](=O)[O-] 1861808916 IBCRRDKJYDWBTE-BXUZGUMPSA-N 396.356 -0.115 5 10 GBBE CN(C)CCNC(=O)[C@@H](CC(N)=O)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330670947 FLMJOUDMPRKEEW-CYBMUJFWSA-N 377.401 -0.354 5 10 GBBE NCc1nc(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)no1 261718469 KZJSUGBLJJXXCI-UHFFFAOYSA-N 382.402 -0.057 5 10 GBBE O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC(F)(F)CN1 263145470 CRELEPNRLDKUKS-SECBINFHSA-N 378.357 -0.014 5 10 GBBE Cc1cc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-] 599501492 QYIZZEUFNYBWHS-UHFFFAOYSA-N 378.432 -0.328 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCN(C)C1=O 1639894561 HDADXISMYNGEII-LLVKDONJSA-N 384.414 -0.190 5 10 GBBE CC(C)[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C(=O)O 1860754764 BETWHFNFKHVWEI-ZDUSSCGKSA-N 379.373 -0.136 5 10 GBBE COCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599218532 VSKVAVDIBSVPNB-WDEREUQCSA-N 389.434 -0.120 5 10 GBBE CCOc1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1[N+](=O)[O-] 608965012 SOJNBFMDWSCAGW-UHFFFAOYSA-N 389.372 -0.035 5 10 GBBE CNC(=O)NC[C@H]1CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 1328891999 KQJKGFYVDWWNIT-AWEZNQCLSA-N 391.384 -0.407 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(N[C@H]2CCOC2)C1 1472080422 QDGDECNOKRWSCK-LBPRGKRZSA-N 398.441 -0.148 5 10 GBBE CN(CC(=O)NC[C@@]12COCCN1C(=O)COC2)c1ccccc1[N+](=O)[O-] 1535336500 QIVBCYFFYYSWPR-KRWDZBQOSA-N 378.385 -0.225 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)n1 599096986 DAAPLESENQLCQQ-NSHDSACASA-N 386.434 -0.839 5 10 GBBE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 2233980676 ZDDAKDCXMYUSEH-KWBADKCTSA-N 385.377 -0.751 5 10 GBBE NC(=O)[C@@]1(O)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 285019875 MNEQBMOUDXXZQV-QGZVFWFLSA-N 377.401 -0.835 5 10 GBBE C[C@@H](CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 1685806232 PCTFDPBPBPPANO-IAOVAPTHSA-N 395.460 -0.076 5 10 GBBE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 2233980677 ZDDAKDCXMYUSEH-NRUUGDAUSA-N 385.377 -0.751 5 10 GBBE C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142206261 SHILNVWWJXIJIQ-SWLSCSKDSA-N 397.457 -0.622 5 10 GBBE Cc1c(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCO)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861795372 WBKPGJZYGBSNDZ-GWCFXTLKSA-N 382.329 -0.505 5 10 GBBE Cc1[nH]c(=N)[nH]c(=NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 2234034186 LWTCRJAJRZUFPB-KKZNHRDASA-N 384.393 -0.719 5 10 GBBE Cn1cc([N+](=O)[O-])c(CNC(=O)[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)n1 2240657532 MLTVLQRQWXEVSI-GRYCIOLGSA-N 385.377 -0.714 5 10 GBBE CS(=O)(=O)N[C@H]1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 522628654 WTVLMJYXHZLWPJ-GWCFXTLKSA-N 382.398 -0.150 5 10 GBBE O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 1329186627 JKSJIZJWRFEFAE-UONOGXRCSA-N 378.385 -0.633 5 10 GBBE C[C@H]1CN([C@H](C)CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 1330002799 QZHVKQUJBSVWMZ-UPJWGTAASA-N 382.421 -0.479 5 10 GBBE CN1C(=O)[C@@H]2CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C[C@@H]2C1=O 1462224660 UTJNMELDRDCBOW-PHIMTYICSA-N 388.336 -0.607 5 10 GBBE CCNc1nc[nH]c(=NCC(CO)(CO)NC(=O)OC(C)(C)C)c1[N+](=O)[O-] 2286171930 TUURXBLPGKPOSX-UHFFFAOYSA-N 386.409 -0.102 5 10 GBBE O=CNCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861133296 FWSAXHJLPCMPIH-WWCKUISVSA-N 390.396 -0.178 5 10 GBBE C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 557215939 SVFYXLYRTCEBKI-LBPRGKRZSA-N 388.388 -0.565 5 10 GBBE CN(C)CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861028526 ONSSUQXJTDJEDM-NSHDSACASA-N 385.808 -0.100 5 10 GBBE COC(=O)CNC(=O)CCNC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 1867347841 DATOXLAXFRAVLT-SNVBAGLBSA-N 380.357 -0.491 5 10 GBBE O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC(F)(F)CN1 263145473 CRELEPNRLDKUKS-VIFPVBQESA-N 378.357 -0.014 5 10 GBBE CN(C)CCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 294409781 MOTOYMXENRLTNC-UHFFFAOYSA-N 399.473 -0.421 5 10 GBBE COCCC(=O)N1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1118873486 SOIVGDVGNLTYOO-UHFFFAOYSA-N 375.407 -0.366 5 10 GBBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)O[C@H](CO)[C@H](O)[C@H]1O 503927062 UBBCYDPSFMEFFL-IKOXMDCHSA-N 376.749 -0.429 5 10 GBBE CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599307907 OCLOWVJRIJDJHC-SECBINFHSA-N 381.436 -0.627 5 10 GBBE CCc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] 599501481 QVUPJNDPIIQYQW-UHFFFAOYSA-N 392.459 -0.074 5 10 GBBE C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142206257 SHILNVWWJXIJIQ-DOMZBBRYSA-N 397.457 -0.622 5 10 GBBE CN1C(=O)[C@@H]2CN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)C[C@@H]2C1=O 1624456760 KTROEPWABPXYLA-AOOOYVTPSA-N 381.366 -0.315 5 10 GBBE CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593569620 YFIUEDHDTVQODK-CYBMUJFWSA-N 383.430 -0.083 5 10 GBBE O=C(N[C@H](CO)CN1CCOCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 773371154 SQHOOTXADRZYOY-BLLLJJGKSA-N 378.385 -0.103 5 10 GBBE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cn1C 1254104044 CPCLPRXGCGMWSW-UHFFFAOYSA-N 397.417 -0.483 5 10 GBBE O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCN2CCOC[C@@]2(CO)C1 1304049727 NDHRELIFKHUVPT-KRWDZBQOSA-N 379.369 -0.115 5 10 GBBE CN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1C[C@@H](C(N)=O)C1 1351466038 LTPUKPWSSNPJEY-JNSHFYNHSA-N 389.412 -0.034 5 10 GBBE C[C@H](CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 1685806233 PCTFDPBPBPPANO-KBRIMQKVSA-N 395.460 -0.076 5 10 GBBE C[C@@H]1CCNC[C@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 420145585 PHLIXQWAEOQGJK-CHWSQXEVSA-N 376.417 -0.247 5 10 GBBE C[C@H]1C(=O)N(C)CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 428577326 DNLMVTPJKRNGPQ-NSHDSACASA-N 384.414 -0.048 5 10 GBBE CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593529689 RTDSLYOUJJKQFF-UHFFFAOYSA-N 379.420 -0.898 5 10 GBBE COC(=O)CCN1CCC[C@@H](OC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1=O 1118454224 GZDKWTZQRAVPRE-CYBMUJFWSA-N 381.341 -0.146 5 10 GBBE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1635812585 JJNAXCRNYNXVLZ-OUAUKWLOSA-N 378.389 -0.100 5 10 GBBE CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1867848595 ZZGKIXBLTQAYBX-WPRPVWTQSA-N 397.344 -0.847 5 10 GBBE O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCN2CCOC[C@@]2(CO)C1 1456232210 FTDHRWBJRPARFX-WMZOPIPTSA-N 390.396 -0.007 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCC(=O)N2CCN(CCO)CC2)c1 1859222059 NFEGSNWFVHARQD-UHFFFAOYSA-N 380.401 -0.140 5 10 GBBE C[C@@H](O)CN=c1nc(N2CCN(C)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520130 IXQQWCNKWQNQJD-GFCCVEGCSA-N 388.432 -0.088 5 10 GBBE C[C@H](O)[C@H](NC(=O)CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O 526917134 UYNSHSSKJTUFOH-SDBXPKJASA-N 398.328 -0.037 5 10 GBBE O=C(N[C@@H](CO)CN1CCOCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 591833123 HCPLQKOPBAUWFZ-CHWSQXEVSA-N 396.400 -0.398 5 10 GBBE NC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 29531224 DPDKAALYGABUCI-UHFFFAOYSA-N 399.429 -0.607 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN1C=O 1638910004 QCDBGNKKSBPKHC-CYBMUJFWSA-N 384.414 -0.048 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C=Cc1cccc([N+](=O)[O-])c1 2330623742 AICPSPASHPGPPE-HZPDHXFCSA-N 390.396 -0.178 5 10 GBBE CN(CC(=O)N1CCOCC1)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 299485565 HWPQNPCODZOLQF-UHFFFAOYSA-N 390.352 -0.492 5 10 GBBE NC[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 595931765 XUMVXKVCXFSSPZ-CABCVRRESA-N 398.441 -0.209 5 10 GBBE O=C(C(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1326593805 CFPRWLSWUILCQN-UYZZBQRDSA-N 393.425 -0.630 5 10 GBBE C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1637342430 IILFPIAXGXEXIE-RISCZKNCSA-N 377.401 -0.086 5 10 GBBE COC(=O)[C@](C)(O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 497768657 MYOPPPJNRAIOAC-OAHLLOKOSA-N 387.414 -0.175 5 10 GBBE CN(CC1CC1)C(=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1117155914 NKOQTFHNTLWWHR-UHFFFAOYSA-N 384.414 -0.142 5 10 GBBE CNC(=O)[C@@H](C)NC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867820631 FQLZTJNKBUQMOW-LDYMZIIASA-N 397.344 -0.847 5 10 GBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CN(C)CCN1C 273486657 GRIMPUNPYJODLH-LBPRGKRZSA-N 386.430 -0.095 5 10 GBBE O=C1CN(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C(=O)N1 294391867 CXSFXWIBZVGQBZ-UHFFFAOYSA-N 375.341 -0.569 5 10 GBBE O=C(N[C@@H](CO)CN1CCOCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 590541774 SNZUAJSXKUIGSR-CYBMUJFWSA-N 376.373 -0.402 5 10 GBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCN2CCOC[C@]2(CO)C1 1597553686 BSMAEGVYGCDVAQ-QGZVFWFLSA-N 375.385 -0.150 5 10 GBBE C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 414601847 TYJNBETUGSSIJK-GXTWGEPZSA-N 393.400 -0.753 5 10 GBBE CN(C)S(=O)(=O)N1CC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 598985065 HZACZYIDCUARLH-UHFFFAOYSA-N 387.418 -0.237 5 10 GBBE Cc1c(C(=O)N[C@H](CCC(N)=O)C(=O)NCCN(C)C)cccc1[N+](=O)[O-] 1861011013 QONCNXLAGIHENH-CYBMUJFWSA-N 379.417 -0.055 5 10 GBBE O=C(CN1CCOCC1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 469444668 OZTTZXGWUFDARO-UHFFFAOYSA-N 378.385 -0.083 5 10 GBBE O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594743832 XJCXHZFTAPHVDD-UHFFFAOYSA-N 399.429 -0.845 5 10 GBBE CN1CC2(CN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)OC1=O 817654362 RXRRNDGYMNAWCO-UHFFFAOYSA-N 398.397 -0.074 5 10 GBBE CN1CCN(C2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)C2)CC1 1556427138 QNHOIBDNJOSTPZ-UHFFFAOYSA-N 390.444 -0.148 5 10 GBBE O=C(CN1CCS(=O)(=O)C[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 1560160176 PRDPVIRQZXHQJD-CQSZACIVSA-N 383.426 -0.035 5 10 GBBE CC(C)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCOCCO 1872616062 OBCRXGZHROVXNI-UHFFFAOYSA-N 375.403 -0.223 5 10 GBBE CN=c1[nH]cc([N+](=O)[O-])c(=NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]1 2234036729 UNWXFOSDOMNJLW-MIMYLULJSA-N 384.393 -0.977 5 10 GBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 1645953729 JODVTKUJHWJOOE-LLVKDONJSA-N 387.414 -0.433 5 10 GBBE O=C([C@H]1COCCO1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 32670643 HVSLSLLZZLPUFC-CQSZACIVSA-N 385.398 -0.157 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 517748305 GVGSXHUCLAOZRW-SECBINFHSA-N 379.416 -0.084 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] 594391802 FODZZEHFMAIQHA-QWHCGFSZSA-N 378.385 -0.389 5 10 GBBE CC(C)(C(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1)n1cc([N+](=O)[O-])cn1 1329657851 VBLBQCWEURGVSY-MRXNPFEDSA-N 381.389 -0.086 5 10 GBBE C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1637342431 IILFPIAXGXEXIE-SMDDNHRTSA-N 377.401 -0.086 5 10 GBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 1646363518 YDEHEDQRMUHGPD-LBPRGKRZSA-N 379.325 -0.372 5 10 GBBE O=C1CC[C@@H](NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1 1859461095 RGHZTCPZRNKQNK-GFCCVEGCSA-N 388.336 -0.108 5 10 GBBE NC(=O)CC[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)O 1866020507 JURLFROBXSRNAQ-LLVKDONJSA-N 380.357 -0.120 5 10 GBBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2CCOC[C@@H]2C1 542684863 HNUMEUKCCFLZLE-AWEZNQCLSA-N 398.441 -0.194 5 10 GBBE O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1(N2CCOCC2)CC1 1146284609 OIRHCLOXMUDXNV-UHFFFAOYSA-N 398.441 -0.146 5 10 GBBE O=C1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C2(CN1)COC2 1288292586 OVUXDHKHUZZPFD-UHFFFAOYSA-N 388.336 -0.692 5 10 GBBE O=C(CN1CCS(=O)(=O)CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1275014150 KMUWDOKOMNGHHJ-UHFFFAOYSA-N 383.430 -0.631 5 10 GBBE CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN2[C@H](CNS2(=O)=O)C1 1640444861 XHEJCQXAUCGCIE-SNVBAGLBSA-N 376.416 -0.663 5 10 GBBE COCCNC(=O)CCc1nnc(=NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1O 1859134988 YPCGDHJFZFRWPZ-UHFFFAOYSA-N 390.356 -0.145 5 10 GBBE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 2233973904 JQSVATDGWDTPPM-GVXVVHGQSA-N 385.377 -0.751 5 10 GBBE C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 841376230 QMWOGSSVUGYVHI-GWCFXTLKSA-N 398.397 -0.075 5 10 GBBE CN=c1[nH]c(N2CC(C(N)=O)(N(C)C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] 2173846598 RMCLGLHNCDISOS-UHFFFAOYSA-N 381.393 -0.241 5 10 GBBE Cc1[nH]c(=N)[nH]c(=NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 2234034188 LWTCRJAJRZUFPB-YWVKMMECSA-N 384.393 -0.719 5 10 GBBE Cc1nn(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(=O)n1C 844679489 PABJEIKKXQPVTB-UHFFFAOYSA-N 396.429 -0.238 5 10 GBBE O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594760243 PGGFDHVOQDGUFT-UHFFFAOYSA-N 383.430 -0.082 5 10 GBBE CC1(F)CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1323599826 VNSNYISDBFKYGZ-UHFFFAOYSA-N 388.377 -0.440 5 10 GBBE O=C(O)CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CS(=O)(=O)C[C@H]1O 1866351978 UPMNUNWVSRMMRM-WDEREUQCSA-N 392.773 -0.067 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 517690498 WDELFTCUFDOBJJ-GFCCVEGCSA-N 384.414 -0.081 5 10 GBBE CCCNC(=O)CN1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599216883 ZVZYASHZIZVWTL-UHFFFAOYSA-N 388.450 -0.403 5 10 GBBE CN1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC1=O 1350291867 GUMCFXTWGLRFOW-UHFFFAOYSA-N 390.400 -0.671 5 10 GBBE COc1ccc(N=c2[nH]c(=NCCCO)[nH]c(=NCCCO)[nH]2)cc1[N+](=O)[O-] 1871464452 IHVANTNMUOEUDY-UHFFFAOYSA-N 393.404 -0.614 5 10 GBBE Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 279159989 GBQWOKHFTNTUGL-UHFFFAOYSA-N 395.391 -0.067 5 10 GBBE Cn1cnnc1N1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 1346553659 QXZFMNISNUCZOV-UHFFFAOYSA-N 387.400 -0.269 5 10 GBBE COC(=O)[C@@H](CO)NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866023991 LQIPVHNANBLQEL-SNVBAGLBSA-N 379.325 -0.379 5 10 GBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1329372251 WDUUKQOSUYQZLX-ONGXEEELSA-N 377.400 -0.434 5 10 GBBE NC(=O)CC[C@@H](NC(=S)NCCNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 585858539 MWQSSWODGLPEGA-LLVKDONJSA-N 397.413 -0.493 5 10 GBBE CN(C)CCN1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1=O 592996443 YVBQTVVTCBMPHT-OAHLLOKOSA-N 389.412 -0.068 5 10 GBBE CN1C[C@H](COCCN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)OCC1=O 1853165722 HABOZEOJNHLLHT-OAHLLOKOSA-N 379.417 -0.014 5 10 GBBE CN=c1nc(N2CC(C(N)=O)(N(C)C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c[nH]1 2173740113 DJNFZSQRFCVJMV-UHFFFAOYSA-N 381.393 -0.241 5 10 GBBE CN=c1[nH]c(N2CCN(C)C[C@H]2CNC(=O)C(F)(F)F)ncc1[N+](=O)[O-] 2173839114 IKHLWFIAJHIJNM-MRVPVSSYSA-N 377.327 -0.353 5 10 GBBE COC(=O)C[C@H](C)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599246859 NJPNIZYEMZGRDQ-JTQLQIEISA-N 375.407 -0.414 5 10 GBBE C[C@H]1CN(S(=O)(=O)N2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 1559068369 ZDBBRJRVBGDITJ-RYUDHWBXSA-N 388.450 -0.196 5 10 GBBE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)Cn1ccc([N+](=O)[O-])n1 1611481486 HLIBZJSIMZTJPP-UHFFFAOYSA-N 388.384 -0.318 5 10 GBBE Cc1c(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCO)[nH]2)cccc1[N+](=O)[O-] 1871645786 SMJZLLNHJZBVKD-UHFFFAOYSA-N 388.432 -0.168 5 10 GBBE CNCCOCCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 599964296 HWDABJGIZDESQG-UHFFFAOYSA-N 379.417 -0.404 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 863554826 JCEBKWUOXHSLDE-CYBMUJFWSA-N 397.413 -0.279 5 10 GBBE COC(=O)[C@@]1(N2CCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)CC2)CCOC1 1118881333 BIEUDKYQUPGERT-MRXNPFEDSA-N 381.389 -0.424 5 10 GBBE COC(=O)[C@H](CO)NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866023990 LQIPVHNANBLQEL-JTQLQIEISA-N 379.325 -0.379 5 10 GBBE Cn1cc(C(=O)N2CCC(NS(=O)(=O)C3CC3)CC2)cc([N+](=O)[O-])c1=O 1891816983 ZKXJWRVYOLAGAO-UHFFFAOYSA-N 384.414 -0.020 5 10 GBBE O=c1nc(NSc2ccccc2[N+](=O)[O-])ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 206955395 VENDYYQCIIRVJJ-ICGCDAGXSA-N 396.381 -0.118 5 10 GBBE O=C1CO[C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]2N1 1275037304 NWDUEQHTCHCYCG-IJLUTSLNSA-N 392.368 -0.092 5 10 GBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1329365978 ZWCHENNFZIBLCH-NSHDSACASA-N 390.443 -0.517 5 10 GBBE O=C(NCC(=O)N1CC(N[C@@H]2CCOC2)C1)NCc1ccc([N+](=O)[O-])cc1 1652691025 RGAXMGOBMOUKBP-CYBMUJFWSA-N 377.401 -0.017 5 10 GBBE CN(CC(=O)N1CCOCC1)C(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 503805189 SVPVFKGHLJWSEW-UHFFFAOYSA-N 389.368 -0.378 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCN1CCNC1=S 1306136034 JMOCFPBRVSXCAW-UHFFFAOYSA-N 387.443 -0.821 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc1 1326508962 VVLCSARMEQYFEO-GFCCVEGCSA-N 390.443 -0.517 5 10 GBBE O=C1OC[C@H]2CN(C(=O)C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)C[C@@H]12 1328784229 CBBAHFXLUJZODX-IUODEOHRSA-N 388.380 -0.125 5 10 GBBE Cc1[nH]c(=N)[nH]c(=NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 2234034187 LWTCRJAJRZUFPB-WCABBAIRSA-N 384.393 -0.719 5 10 GBBE O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cn1 1650815586 MCOPVUJOFYIQHC-GFCCVEGCSA-N 390.443 -0.371 5 10 GBBE CN1CCN(c2ccc(C(=O)NCC(=O)NCC(=O)O)cc2[N+](=O)[O-])CC1 1866055948 RJOCMBMILHFFPQ-UHFFFAOYSA-N 379.373 -0.723 5 10 GBBE CN1CCN(C)[C@@H](CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 518963429 WJEYJCNUIIEJQZ-AWEZNQCLSA-N 399.473 -0.375 5 10 GBBE COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 619484386 RDVKIXAOFFULQD-SECBINFHSA-N 379.416 -0.084 5 10 GBBE NC(=O)C1(NC(=O)c2cc([N+](=O)[O-])ccc2I)CNC1 715486466 IAWRSMGQATTWEK-UHFFFAOYSA-N 390.137 -0.244 5 10 GBBE O=C1OC[C@H]2CN(C(=O)C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)C[C@@H]12 1331608738 FLCZKBGYJFRMET-QMTHXVAHSA-N 375.337 -0.184 5 10 GBBE CNC(=O)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1638449285 KLBUCKFXJODORF-NSHDSACASA-N 384.414 -0.142 5 10 GBBE O=C([C@@H]1C[C@@H](O)CN1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 262341039 AIPZFOVTRRDJAD-OCCSQVGLSA-N 384.414 -0.850 5 10 GBBE CN1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC1=O 287042271 OUOIGTXGJRYCLD-ZDUSSCGKSA-N 389.412 -0.020 5 10 GBBE O=C(C(=O)N1CCN(C2CC2)C(=O)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 410604132 RPOXWUAMVFYNGQ-UHFFFAOYSA-N 390.400 -0.212 5 10 GBBE CN(C)C(=O)CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 561510841 DDXYWZWESFHFEI-UHFFFAOYSA-N 379.417 -0.185 5 10 GBBE O=C(O)CNC(=O)CNC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1859456499 UUTHADPEWCFDRD-UHFFFAOYSA-N 392.324 -0.712 5 10 GBBE C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 470378850 GPBOOMBDMXJMBE-DGCLKSJQSA-N 387.414 -0.129 5 10 GBBE O=C(C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)N1CCN(c2nccnn2)CC1 1329276939 MLVIJFSYPWHKAD-UHFFFAOYSA-N 383.368 -0.029 5 10 GBBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN2[C@H](CNS2(=O)=O)C1 1654881679 JCVXSTBSYKVZHQ-ZYHUDNBSSA-N 399.429 -0.235 5 10 GBBE CN1CCOC[C@@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 600422101 RBCKSRHNYJNNNX-ZDUSSCGKSA-N 386.430 -0.290 5 10 GBBE COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 1343225624 KLFPMOHSHALGLE-AWEZNQCLSA-N 378.385 -0.237 5 10 GBBE CN(CC(=O)NC[C@H]1CCCNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1632767412 LRAMBDYFGBXWNU-LLVKDONJSA-N 384.414 -0.142 5 10 GBBE C[C@H]1CO[C@@H](CO)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 492527667 MIEDNVFOSJXVAD-WCQYABFASA-N 387.414 -0.129 5 10 GBBE COc1ccc(NC(=O)CN2CCN3CCOC[C@]3(CO)C2)c([N+](=O)[O-])c1 1655716821 OXFIRDINRGVQEF-QGZVFWFLSA-N 380.401 -0.079 5 10 GBBE CNCCOCCN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 863749675 YQNOYAPIVBJUGT-UHFFFAOYSA-N 393.444 -0.062 5 10 GBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CN(S(=O)(=O)N(C)C)C1 599501383 MYOXKTZYESVJJR-UHFFFAOYSA-N 378.432 -0.328 5 10 GBBE O=C1CN(CCNC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CCN1 828151187 OTOUQUATESRPIO-UHFFFAOYSA-N 397.338 -0.419 5 10 GBBE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cn1 1296323525 QVCACJMQKGALCN-NRRJATNASA-N 379.398 -0.178 5 10 GBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1629835910 RVTQBEISYCLQSH-CYBMUJFWSA-N 380.405 -0.851 5 10 GBBE CN=c1[nH]cc([N+](=O)[O-])c(=NCC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)[nH]1 2173945370 MVECPPZZFQHOBT-UHFFFAOYSA-N 381.393 -0.595 5 10 GBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(CC(=O)N3CCOCC3)CC2)n1 280926281 GSMXCICCLAUPBE-UHFFFAOYSA-N 393.400 -0.243 5 10 GBBE CCN(CCO)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 416468222 YAHOOMHCMPVGBU-UHFFFAOYSA-N 375.403 -0.026 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1266619113 ZVRNXRHLQCUPCB-NHYWBVRUSA-N 385.398 -0.391 5 10 GBBE CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCS(=O)(=O)C[C@H]1CCO 1472881850 BAAPVFAJQDJRIF-LLVKDONJSA-N 378.428 -0.016 5 10 GBBE O=C(O)CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@H]1O 1866335780 QWSMJINMVSMERB-QNTSXVQBSA-N 384.366 -0.321 5 10 GBBE C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CN(C)CCN1C 1293745234 PAHZUHQQLYXSCA-SMDDNHRTSA-N 389.412 -0.059 5 10 GBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1S(C)(=O)=O 1877646356 DWPKMQTXHLSGIO-DTWKUNHWSA-N 390.422 -0.410 5 10 GBBE O=C(C=Cc1ccc([N+](=O)[O-])s1)NCCNC(=S)N[C@@H](CO)C(=O)O 2296382352 RYECTJLHGPRUPL-VIFPVBQESA-N 388.427 -0.305 5 10 GBBE CC(=O)NCCNC(=O)[C@H](CC(N)=O)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330670950 GEHOYDTUBFOFCS-ZDUSSCGKSA-N 391.384 -0.780 5 10 GBBE CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599307908 OCLOWVJRIJDJHC-VIFPVBQESA-N 381.436 -0.627 5 10 GBBE O=CNCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861126082 JSWJNBNPQNLNQP-KEMBLGFASA-N 390.396 -0.178 5 10 GBBE CCOC(=O)[C@@H](CC(N)=O)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1866026432 UIKGSIHNRYHQPZ-LLVKDONJSA-N 392.324 -0.886 5 10 GBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@@H]12 594883767 HBLMSJQVJOYMCE-NGZCFLSTSA-N 377.400 -0.578 5 10 GBBE NS(=O)(=O)c1ccc(Nc2ncc([N+](=O)[O-])c(N(CCO)CCO)n2)cc1 1871301986 ATQXWLHOQDZUTL-UHFFFAOYSA-N 398.401 -0.433 5 10 GBBE COCCN(CCOC)c1ncnc(N2CCN(CCO)CC2)c1[N+](=O)[O-] 40613387 HUKPJDNMUSRSTC-UHFFFAOYSA-N 384.437 -0.402 5 10 GBBE C[C@@H]1NC(=O)[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C 1631791566 HCGDHUNVUHPNGV-HBNTYKKESA-N 384.414 -0.003 5 10 GBBE C[C@@H](O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861125031 HGSGDOHHKMSGFR-DVFOLPMTSA-N 378.385 -0.145 5 10 GBBE CN1CCN(C(=O)CS(=O)(=O)c2ccc([S@](C)=O)cc2[N+](=O)[O-])CC1 25315209 SDHKMRFCEGSILM-XMMPIXPASA-N 389.455 -0.120 5 10 GBBE COc1cc(CCNC(=O)C(=O)N2CN(C)C(=O)[C@H]2C)c([N+](=O)[O-])cc1OC 592326034 FRWRDQYQDNSBPZ-SNVBAGLBSA-N 394.384 -0.083 5 10 GBBE CNc1nccc(C(=O)N2CCN([C@@H]3CCNC(=O)CC3)CC2)c1[N+](=O)[O-] 566748149 LTRYBXDNUXICGA-LBPRGKRZSA-N 376.417 0.458 5 10 GBBE CNS(=O)(=O)c1ccc(N2CCO[C@@H](CS(C)(=O)=O)C2)c([N+](=O)[O-])c1 1164254539 BZIXNFLFAWCTRL-SNVBAGLBSA-N 393.443 -0.247 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 1861819272 HRVIRXDIYZZUIT-HIFRSBDPSA-N 378.385 -0.269 5 10 GBBE CN=c1[nH]cc([N+](=O)[O-])c(=NC[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)[nH]1 2234036728 UNWXFOSDOMNJLW-IEBDPFPHSA-N 384.393 -0.977 5 10 GBBE COCCN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599336127 HCCGAZCDIDYTCP-QMMMGPOBSA-N 376.313 -0.111 5 10 GBBE CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1627052720 HKHYHSUWFBXDDT-UHFFFAOYSA-N 393.448 -0.372 5 10 GBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCCO)cc1[N+](=O)[O-] 1861808917 IBCRRDKJYDWBTE-FZMZJTMJSA-N 396.356 -0.115 5 10 GBBE COc1ccc(N=c2[nH]c(=NC[C@H](C)O)[nH]c(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871464649 MGRFGNZLNIDFJY-AOOOYVTPSA-N 393.404 -0.617 5 10 GBBE NC(=O)C[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNC=O 2330596209 GZQMCAZEHLFZPG-AWEZNQCLSA-N 391.384 -0.780 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C=Cc1ccccc1[N+](=O)[O-] 2330663780 UWWWXIXQYNLFHK-GOEBONIOSA-N 390.396 -0.178 5 10 GBBE CC1(C)NC(=O)N(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 457128942 DNUHKJFFWPWBBL-UHFFFAOYSA-N 376.373 -0.031 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F 579475244 YLPDVUDFJDFKFW-NSHDSACASA-N 378.357 -0.014 5 10 GBBE Cc1cc(C(=O)NCC(=O)NCC23COCCN2CCOC3)ccc1[N+](=O)[O-] 1149679582 KVRNAHYOMZKLCL-UHFFFAOYSA-N 392.412 -0.150 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCCNC=O)c1 1861345254 URUPMGOTMZIGKD-ABAIWWIYSA-N 394.384 -0.569 5 10 GBBE COCCN1CN(S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)CC1=O 416480090 OPCPJYOZQHBWKS-UHFFFAOYSA-N 387.370 -0.182 5 10 GBBE O=C(C(=O)N1CCN(C2CC2)CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 569566926 DHGBCYGDAUMGPD-UHFFFAOYSA-N 388.428 -0.055 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] 599665745 KVRTWRTUJNSGLH-QWHCGFSZSA-N 389.430 -0.416 5 10 GBBE CN(CC(=O)N1CCNCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 825617344 DGTPMLBACQVJHK-UHFFFAOYSA-N 391.428 -0.065 5 10 GBBE O=[N+]([O-])c1ccc2nc(N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)[nH]c2c1 1655346565 RRZGTMAFGLUQFB-KGLIPLIRSA-N 381.414 -0.249 5 10 GBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2358558590 UHJXSCFUHCQGGY-JBLDHEPKSA-N 385.377 -0.601 5 10 GBBE CN(C(=O)CN1CCOC[C@@H]1CNS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 599669154 XAFBIENTVVOPPX-AWEZNQCLSA-N 386.430 -0.192 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@H]2COCCN2CC(F)F)n1 1335189153 VMCFQLRACJXICV-MRVPVSSYSA-N 383.333 -0.901 5 10 GBBE O=[N+]([O-])c1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(S(=O)(=O)N2CCOCC2)c1 1652135523 UCEWWPOPLWICAM-KGLIPLIRSA-N 387.414 -0.452 5 10 GBBE O=C(CO)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 497447273 VHFFUXCJLNFFMH-LLVKDONJSA-N 380.357 -0.545 5 10 GBBE CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594763780 AOIKJRQSCXRNMG-ZDUSSCGKSA-N 383.430 -0.083 5 10 GBBE Nc1ncc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1[N+](=O)[O-] 1566961292 WASPCAOFTIAGNM-UHFFFAOYSA-N 383.430 -0.093 5 10 GBBE COCCNS(=O)(=O)c1ccc(CCN=c2[nH]cnc(N)c2[N+](=O)[O-])cc1 1859506495 PPXWAOJBXCWYRD-UHFFFAOYSA-N 396.429 -0.032 5 10 GBBE CN(CCO)C(=O)Cc1nonc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 1872637517 MSWDPEZFTBTZIA-UHFFFAOYSA-N 379.329 -0.012 5 10 GBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)n1 2233979608 VHNFPSRLHJLYJN-UBHAPETDSA-N 385.377 -0.601 5 10 GBBE O=C(O)CN(C(=O)C=Cc1cccc([N+](=O)[O-])c1)[C@@H]1CS(=O)(=O)C[C@@H]1O 2322775697 PLONMESESZNDHX-OLZOCXBDSA-N 384.366 -0.321 5 10 GBBE CN(CC(=O)N1CCOCC1)C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 299466028 BLAZXSNUQWBTDY-UHFFFAOYSA-N 389.368 -0.378 5 10 GBBE CCN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 544567667 GEVOFZSYWVIHEW-UHFFFAOYSA-N 384.414 -0.046 5 10 GBBE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 598909985 PWCCHYXHKATZSQ-STQMWFEESA-N 390.352 -0.168 5 10 GBBE Cc1cn(CN2CCN(CC(N)=O)C(=O)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] 840159080 HWRRKQXYYMBNNX-UHFFFAOYSA-N 388.384 -0.557 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C(=O)C2CC2)CC1 1464748121 BYCKGUSHQIJHQO-UHFFFAOYSA-N 396.425 -0.046 5 10 GBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C[C@H](O)C[C@H]2C1 594478622 SXKMQTSLIHNKGA-NWDGAFQWSA-N 385.398 -0.179 5 10 GBBE CN(C)CCN1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 598908437 JYCAZIWSQJMWSF-UHFFFAOYSA-N 392.416 -0.051 5 10 GBBE CCN(C1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1)S(C)(=O)=O 599229074 PKFPTMSFJRBMTK-UHFFFAOYSA-N 395.463 -0.237 5 10 GBBE Cc1nc(N2C[C@H]3C(=O)OC[C@H]3C2)nc(N2C[C@H]3C(=O)OC[C@H]3C2)c1[N+](=O)[O-] 858849752 GZCSODDHDYOFQZ-DDHJBXDOSA-N 389.368 -0.088 5 10 GBBE CCN(C(=O)Cn1nc([N+](=O)[O-])nc1Br)[C@@H]1CCS(=O)(=O)C1 1473077018 YIWKKAKBYIOIFQ-SSDOTTSWSA-N 396.223 -0.016 5 10 GBBE CS(=O)(=O)NCCNC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 169918144 WVUYUJPPJWPPKP-UHFFFAOYSA-N 398.397 -0.364 5 10 GBBE O=C(N1CCNCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 599107838 WIHKXSVCJWWVMB-UHFFFAOYSA-N 384.418 -0.679 5 10 GBBE CNCCCC(=O)N1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1327585404 VSYGYZXYVUFQMF-UHFFFAOYSA-N 379.417 -0.137 5 10 GBBE O=C(CN1CCS(=O)(=O)C[C@@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 1660258603 BDVVKJLRTHRHII-AWEZNQCLSA-N 383.426 -0.035 5 10 GBBE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O 439922218 PSCRWHBEGPTJTR-FKGLVLAHSA-N 393.352 -0.292 5 10 GBBE O=[N+]([O-])c1sc(N2CCN(CCO)CC2)nc1N1CCN(CCO)CC1 517637858 KKEJQOJYEQLVPO-UHFFFAOYSA-N 386.478 -0.720 5 10 GBBE CS(=O)(=O)CC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)COC1 1136194697 OFIMVYLYRCZZJR-UHFFFAOYSA-N 384.414 -0.300 5 10 GBBE CCN1CCN(CC(=O)NCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C(=O)C1=O 1471039786 JUQVSAIYFJONTN-UHFFFAOYSA-N 392.368 -0.407 5 10 GBBE O=C1COc2ccc([N+](=O)[O-])cc2N1CC(=O)N1C[C@@H]2CCCN2C[C@@H]1CO 1644702435 CNLRNXJVNKJGDU-UONOGXRCSA-N 390.396 -0.012 5 10 GBBE NC1(CNC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCOCC1 599965812 XYMGVVRHQCURMW-UHFFFAOYSA-N 391.428 -0.133 5 10 GBBE COCCN(C)CCN1C[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O 1629140930 KDOOBLCWVTWENM-WMLDXEAASA-N 394.428 -0.077 5 10 GBBE O=[N+]([O-])c1ccccc1-c1nnc(CN2CCN3[C@@H](CNS3(=O)=O)C2)o1 1660301250 VKTBXJDGCVNTAO-JTQLQIEISA-N 380.386 -0.021 5 10 GBBE NC(=O)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCNC=O 1861030556 VYIYRUDBQKTPSK-ZDUSSCGKSA-N 379.373 -0.789 5 10 GBBE Cc1cc(C(=O)NCC(=O)N2CC[C@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] 273097107 SYWIVSNMYKZFRK-LBPRGKRZSA-N 384.414 -0.217 5 10 GBBE CS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)cc1[N+](=O)[O-] 591833180 VANMACFRVFBJGS-GFCCVEGCSA-N 387.414 -0.579 5 10 GBBE O=C(CN1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1)N1CCOCC1 594744939 OSWLHDWWMPIAAX-UHFFFAOYSA-N 399.429 -0.845 5 10 GBBE O=C(NCC(O)(CO)CO)c1ccc(I)c([N+](=O)[O-])c1 2296078129 WWTTVEACAKZPDI-UHFFFAOYSA-N 396.137 -0.355 5 10 GBBE Cn1nncc1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 596643386 ZQYLDQZUWIZMIR-UHFFFAOYSA-N 394.413 -0.201 5 10 GBBE Cc1cc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)n2ncnc2n1 512279966 HTJLDRARBUVDCZ-UHFFFAOYSA-N 398.383 -0.149 5 10 GBBE COC(=O)c1ccc(S(=O)(=O)NCCN2CCN(C)CC2)cc1[N+](=O)[O-] 416475968 WDXHPBCXEWUZSV-UHFFFAOYSA-N 386.430 -0.093 5 10 GBBE CNC(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 422091846 CNUSFTABJWUODS-ZDUSSCGKSA-N 389.412 -0.162 5 10 GBBE CN(C)S(=O)(=O)N1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 461296229 FGNWHUHLCAFXID-UHFFFAOYSA-N 387.418 -0.903 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1320380032 AYKPXEZKXFHOCO-KGLIPLIRSA-N 384.414 -0.786 5 10 GBBE C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)CN1CCN(C)CC1 1464881021 NBPJJCSVNIJHPJ-LBPRGKRZSA-N 399.473 -0.145 5 10 GBBE CN1CC[C@H](N2CCC(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)C1=O 1635006921 UAQAVDRPXMBZFK-ZDUSSCGKSA-N 377.401 -0.432 5 10 GBBE C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 1872599631 QKTGMORDYHSDSX-GFCCVEGCSA-N 386.430 -0.290 5 10 GBBE CN1CCN(c2ncccc2CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599222344 VYCPDLDZVWWVPS-UHFFFAOYSA-N 395.445 -0.046 5 10 GBBE CN1CCOC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 600420732 KQUPAWMUSINRBY-ZDUSSCGKSA-N 386.430 -0.338 5 10 GBBE CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CS(=O)(=O)C1 1620502158 WVMWNDJDSUTMGG-UHFFFAOYSA-N 382.442 -0.028 5 10 GBBE Cc1c(C(=O)N[C@@H](CC(N)=O)C(=O)NCCc2cnc[nH]2)cccc1[N+](=O)[O-] 1861010620 MPFMCQUKBLDZEF-ZDUSSCGKSA-N 388.384 -0.041 5 10 GBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCO)cc1[N+](=O)[O-] 1861810394 WXDPGGUDDFBOBY-MFKMUULPSA-N 382.329 -0.505 5 10 GBBE COc1ccc(N=c2[nH]c(N3CCOCC3)nc(=NCCO)[nH]2)cc1[N+](=O)[O-] 1871708650 VPKIQQDUOUSZCY-UHFFFAOYSA-N 391.388 -0.383 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N3CC[C@@H](O)[C@@H](O)C3)cc2[N+](=O)[O-])CC1 1171680062 AUHMEOWDNJOREA-SJORKVTESA-N 392.412 -0.169 5 10 GBBE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1635812584 JJNAXCRNYNXVLZ-AXFHLTTASA-N 378.389 -0.100 5 10 GBBE CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN2[C@@H](CNS2(=O)=O)C1 1640444860 XHEJCQXAUCGCIE-JTQLQIEISA-N 376.416 -0.663 5 10 GBBE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O 439922217 PSCRWHBEGPTJTR-FIXIBIHLSA-N 393.352 -0.292 5 10 GBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(c2nccn(C)c2=O)CC1 465242444 WXXCTSOXGXNLFP-UHFFFAOYSA-N 375.389 -0.068 5 10 GBBE CS(=O)(=O)N[C@@H]1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 522628656 WTVLMJYXHZLWPJ-MFKMUULPSA-N 382.398 -0.150 5 10 GBBE CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cn2)CC1 761981917 UQTZCOVMOAMJGD-UHFFFAOYSA-N 379.373 -0.621 5 10 GBBE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 1655803149 XYIVXHXYGDJATB-CQSZACIVSA-N 376.369 -0.201 5 10 GBBE NCCCC[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026414 SWMHBDUGKDQRGG-LBPRGKRZSA-N 378.341 -0.111 5 10 GBBE CN1CCOC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 600422100 RBCKSRHNYJNNNX-CYBMUJFWSA-N 386.430 -0.290 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCN(C)C)c1 1861344612 IYSVPBOPYJFREC-IAQYHMDHSA-N 380.401 -0.143 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCCn1ncccc1=O 1891289003 LKBKEIIYLLIESG-UHFFFAOYSA-N 385.336 -0.046 5 10 GBBE Cn1cnc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)C2)n1 1298867038 UUNMUVLCXBAFHD-UHFFFAOYSA-N 383.372 -0.034 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 599661420 BRLWUSBWWXCEFI-ZIAGYGMSSA-N 389.430 -0.416 5 10 GBBE C[C@H](O)[C@H](O)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1187182998 RHQIZDSNPJYMFJ-XHDPSFHLSA-N 388.446 -0.316 5 10 GBBE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1349614798 RJBQEFOIQDRYMP-QWHCGFSZSA-N 393.400 -0.753 5 10 GBBE NC(=O)[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2nc(F)ncc2[N+](=O)[O-])C1 2162865837 RJOMYQHYAUAFKA-NTSWFWBYSA-N 380.258 -0.117 5 10 GBBE CN1CCN(C)[C@H](CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 518963430 WJEYJCNUIIEJQZ-CQSZACIVSA-N 399.473 -0.375 5 10 GBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(N2CCS(=O)(=O)CC2)CC1 1320501571 YGVJHIDCYMRCGM-UHFFFAOYSA-N 383.430 -0.212 5 10 GBBE NC(=O)[C@@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ncnc(F)c2[N+](=O)[O-])C1 2162864709 GKHZENMGTJZRLZ-RITPCOANSA-N 380.258 -0.117 5 10 GBBE O=C(O)CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@H]1O 2323540756 QWSMJINMVSMERB-QWHCGFSZSA-N 384.366 -0.321 5 10 GBBE NC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCOCC1 261876912 OVIZRSXUFMQSJN-UHFFFAOYSA-N 398.441 -0.064 5 10 GBBE COc1ccc(C(=O)NCCNC(=S)NN2CCN(C)CC2)cc1[N+](=O)[O-] 586403960 HJYBABQKOUEFBF-UHFFFAOYSA-N 396.473 -0.040 5 10 GBBE COCCNC(=O)[C@H]1CC[C@H](C)N(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599218531 VSKVAVDIBSVPNB-QWRGUYRKSA-N 389.434 -0.120 5 10 GBBE COCCNC(=O)CNC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 822273292 DLKYICXBYCHXJQ-UHFFFAOYSA-N 386.311 -0.088 5 10 GBBE COCCN(C)CCN1C[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1=O 1160604453 IJAFKHPFZDQXRP-VIFPVBQESA-N 388.812 -0.120 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1266619111 ZVRNXRHLQCUPCB-ABAIWWIYSA-N 385.398 -0.391 5 10 GBBE CCON(C)C(=O)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1326702547 NGQLIYQIKUXGGM-UHFFFAOYSA-N 393.400 -0.231 5 10 GBBE COCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706263 VLMOVFNCAHKVHX-UHFFFAOYSA-N 391.388 -0.385 5 10 GBBE CNC(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 422090870 BIEGIVXGFJMCHS-ZDUSSCGKSA-N 389.412 -0.162 5 10 GBBE O=[N+]([O-])c1ccc2nc(N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)[nH]c2c1 1655346566 RRZGTMAFGLUQFB-UONOGXRCSA-N 381.414 -0.249 5 10 GBBE C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1 599963041 WQGUOIXYFRCWLZ-CHWSQXEVSA-N 376.417 -0.105 5 10 GBBE O=C(NCC(=O)N1CCN2CCOC[C@@]2(CO)C1)Nc1cccc([N+](=O)[O-])c1 1156867032 POQYRRGYTJRHPD-KRWDZBQOSA-N 393.400 -0.378 5 10 GBBE O=C(NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1COCCN1CC(F)F 851329851 RLNHAHGLIWRTJR-QMMMGPOBSA-N 380.329 -0.239 5 10 GBBE CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 1628442331 YDPABRWFLCUYQI-MRXNPFEDSA-N 378.385 -0.175 5 10 GBBE O=C1NCC[C@@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 597857928 WDYMEZGSUDLYGU-STQMWFEESA-N 382.398 -0.247 5 10 GBBE O=C(N1CCNCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 599103251 PZCKGZBJJQYURB-UHFFFAOYSA-N 389.459 -0.012 5 10 GBBE CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 1137306630 AUWMIMVOBMKTKX-NSHDSACASA-N 384.414 -0.048 5 10 GBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1C[C@@H](CO)[C@@H](O)C1 1307138430 GCSVJPBMYZSTLV-NHYWBVRUSA-N 387.414 -0.595 5 10 GBBE O=CNCCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861133297 FWSAXHJLPCMPIH-XMAAMQLLSA-N 390.396 -0.178 5 10 GBBE CCOC(=O)[C@H](CC(N)=O)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1866026433 UIKGSIHNRYHQPZ-NSHDSACASA-N 392.324 -0.886 5 10 GBBE C[C@H]1CN(c2nc(N3CCN(CCO)CC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 1871314617 BJNICKUMQBBRTR-RYUDHWBXSA-N 381.437 -0.305 5 10 GBBE COc1ccc(C(=O)NCC(=O)N2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-] 363868267 NFBCNZPXANTHSB-ZDUSSCGKSA-N 378.385 -0.124 5 10 GBBE O=C(O)CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CS(=O)(=O)C[C@@H]1O 1866311262 PLONMESESZNDHX-WWKJKZQJSA-N 384.366 -0.321 5 10 GBBE CNC(=O)[C@@H](C)NC(=O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867781769 HLLLNQTYZKLCLQ-LLVKDONJSA-N 393.400 -0.588 5 10 GBBE NC(=O)CC1(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)COC1 170210348 CJWICORGIPUFSJ-UHFFFAOYSA-N 390.352 -0.268 5 10 GBBE C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@+]3(C)CC[C@@H](OC1=O)[C@@]23O 1615813475 CRWHRMSWJOLABX-OGOWGKSDSA-N 382.433 -0.370 5 10 GBBE biogenic NC(=O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCCNC=O 1861033156 CWMUNMHALXSSLP-ZDUSSCGKSA-N 379.373 -0.789 5 10 GBBE O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1)N1CCOCC1 299219872 LFSWXIRHGQNXCR-UHFFFAOYSA-N 378.385 -0.083 5 10 GBBE CNS(=O)(=O)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)c([N+](=O)[O-])c1 1187765576 JUYVOAQCYQSCEU-AOOOYVTPSA-N 375.428 -0.016 5 10 GBBE COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1326847674 XGDPSHXADMTXIY-QWHCGFSZSA-N 381.389 -0.437 5 10 GBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC[C@H]1COc2ccccc2O1 1340521852 OFSOFGQDYGCWAQ-LBPRGKRZSA-N 375.341 -0.136 5 10 GBBE COC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CS(=O)(=O)C1 1354076019 KQPABDDYIXHDMT-UHFFFAOYSA-N 397.409 -0.307 5 10 GBBE C[C@H](O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330632786 QAYKPIIBHUHHDI-SMDDNHRTSA-N 378.385 -0.145 5 10 GBBE Cc1nn(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n1C 844679899 UFCWGLZGFNDJFD-UHFFFAOYSA-N 396.429 -0.238 5 10 GBBE O=C1CO[C@H]2CCN(C(=O)C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2N1 1324900072 BCSOPZIWBIQWQN-GJZGRUSLSA-N 388.380 -0.405 5 10 GBBE O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(CC(=O)N2CCOCC2)CC1 269594872 JMMPZHTXHFGYBJ-UHFFFAOYSA-N 392.412 -0.023 5 10 GBBE COC(=O)c1cc(C(=O)NC[C@]23COCCN2C(=O)COC3)cc([N+](=O)[O-])c1 1132364526 JMEBBEWVAMGYDB-QGZVFWFLSA-N 393.352 -0.261 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CN2CCC[C@H]2CO1 1442659687 JIZOOQMNXJWVTI-STQMWFEESA-N 398.441 -0.148 5 10 GBBE CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1867820626 FQLZTJNKBUQMOW-GZMMTYOYSA-N 397.344 -0.847 5 10 GBBE O=C1CS(=O)(=O)C[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)N1 1532837519 NBBGQPRXUKGCDL-AWEZNQCLSA-N 397.409 -0.122 5 10 GBBE COc1cc(C(=O)NCC(=O)NCCN2CCOCC2)c([N+](=O)[O-])cc1F 1626980614 PYZHVPZHXWXXRO-UHFFFAOYSA-N 384.364 -0.079 5 10 GBBE CN(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1858023281 SVTNFYGMTPEHJM-GFCCVEGCSA-N 377.444 -0.008 5 10 GBBE CCN(CCO)c1nc(=NCCCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521143 SQCKTDSRFHEPDG-UHFFFAOYSA-N 377.405 -0.020 5 10 GBBE COc1cc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-] 859395192 NZVBVKGZISGQSR-UHFFFAOYSA-N 394.431 -0.628 5 10 GBBE CS(=O)(=O)c1ccc(N2CCN(C(=O)C3(O)COC3)CC2)c([N+](=O)[O-])c1 1543878835 HKEHZBBNUAVKAL-UHFFFAOYSA-N 385.398 -0.592 5 10 GBBE Cn1ncc(I)c1CNC(=O)Cn1cnc([N+](=O)[O-])n1 1597794019 ILJTWHZDKVFXEP-UHFFFAOYSA-N 391.129 -0.159 5 10 GBBE O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCCC1 1636962271 MNVGVZWMEAODNK-CQSZACIVSA-N 379.417 -0.033 5 10 GBBE C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1C 282470871 USNSRQKOERJSTF-LLVKDONJSA-N 384.414 -0.096 5 10 GBBE C[C@@H]1CN(CCO)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 457112618 GBHVLNFTBIKDKP-CYBMUJFWSA-N 379.417 -0.081 5 10 GBBE C=CC(=O)N(C)CC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1299863362 HWOSKSBILYIADG-UHFFFAOYSA-N 384.414 -0.024 5 10 GBBE C[S@](=O)C1(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1467418686 VJFSYFSLJUMCJE-QHCPKHFHSA-N 375.428 -0.100 5 10 GBBE N=c1ccc([N+](=O)[O-])c(N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)[nH]1 2173803885 BRTULIDVEJOKCF-NKWVEPMBSA-N 376.295 -0.239 5 10 GBBE C[C@@H](O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 412931325 UBFYLNGLIGGWJH-BXUZGUMPSA-N 387.414 -0.129 5 10 GBBE CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C(=O)CO)CC1 596177413 HTJRIZIJVHFELB-UHFFFAOYSA-N 386.430 -0.076 5 10 GBBE O=[N+]([O-])c1ccc(N2CC(CO)(CO)C2)c(S(=O)(=O)N2CCOCC2)c1 1655849620 BCLRUAGMGJCGCD-UHFFFAOYSA-N 387.414 -0.593 5 10 GBBE CC(=O)CCC(=O)NCCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 169842759 ASWCNDMIEICHJK-UHFFFAOYSA-N 390.352 -0.208 5 10 GBBE CN(C)C(=O)CCN1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 268398548 PAMLLPGKPGBSPM-UHFFFAOYSA-N 385.446 -0.158 5 10 GBBE C[C@H]1[C@H](CO)CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 410742439 IBDSZMORHJEMKF-STQMWFEESA-N 377.401 -0.132 5 10 GBBE CN1CCO[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1=O 1540820701 FOPACGFWINCYAL-LBPRGKRZSA-N 382.398 -0.202 5 10 GBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[C@@H](O)[C@@H](O)C1 1655769930 KOJVNNGALOAILV-CABCVRRESA-N 387.414 -0.452 5 10 GBBE O=CNCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861132693 ZMFYZRQOIBWKPK-DKLOGILVSA-N 390.396 -0.178 5 10 GBBE Cn1cc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)cc([N+](=O)[O-])c1=O 1890510136 VWROETQNEXWYAY-UHFFFAOYSA-N 384.356 -0.306 5 10 GBBE CN1C[C@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC1=O 562090980 IHYYBWNYCHRRJE-LLVKDONJSA-N 378.389 -0.308 5 10 GBBE CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)NC1=O 596643272 VSNRUBGPGIETBI-CYBMUJFWSA-N 397.413 -0.549 5 10 GBBE O=C1CC[C@@H](NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C(=O)N1 827117749 ONCFPKXJGPWABM-SECBINFHSA-N 382.279 -0.045 5 10 GBBE CS(=O)(=O)N1CC(CNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 1681700051 GEMDALAQEDUTMY-UHFFFAOYSA-N 398.445 -0.287 5 10 GBBE NCCOCCOCCN(CC(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 725373094 KZNOFGNITCCKJC-UHFFFAOYSA-N 391.402 -0.338 5 10 GBBE Cc1c(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 1544138868 GHMMYYGFKXJZSE-XHDPSFHLSA-N 399.473 -0.085 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CNCCCO1 449714287 ZXFGZEFFUOCJQN-ZDUSSCGKSA-N 386.430 -0.242 5 10 GBBE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1334167131 RIVWZWZPXFBITI-LLVKDONJSA-N 381.393 -0.878 5 10 GBBE C[C@H](O)CNC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861124461 QAYKPIIBHUHHDI-KUSISRCJSA-N 378.385 -0.145 5 10 GBBE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 441206053 RRDBZXNRRKLDHQ-ZSLBOAEBSA-N 382.373 -0.423 5 10 GBBE C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1C 506553607 AZJIGODVLOTVFS-NSHDSACASA-N 384.414 -0.048 5 10 GBBE CN(CC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 593870278 NWAJFXRXMJDULC-BGBYCUJFSA-N 387.439 -0.053 5 10 GBBE CN(C)S(=O)(=O)N1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 600761831 SMXOTXWBDHWQJG-UHFFFAOYSA-N 392.459 -0.551 5 10 GBBE O=C(NCCN1CCOCC1)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1 1861034833 SYXMMGCTIWSRJN-CVEARBPZSA-N 392.412 -0.381 5 10 GBBE O=C(N[C@@H](CO)CN1CCOCC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 555533228 CRZZEACUAYZTNI-CQSZACIVSA-N 394.428 -0.146 5 10 GBBE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 592439618 ADINXPGUGJLBQK-GFCCVEGCSA-N 375.385 -0.110 5 10 GBBE O=C1NC[C@@H]2CN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)CCN2C1=O 848585330 OEKICGRRZYUZDH-SNVBAGLBSA-N 384.295 -0.264 5 10 GBBE O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866340351 QXRRZMJWIGNDBD-KCJUWKMLSA-N 377.309 -0.373 5 10 GBBE CCN1CCN(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 469901705 MWEHARUHXWQTOJ-UHFFFAOYSA-N 399.473 -0.373 5 10 GBBE CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594763779 AOIKJRQSCXRNMG-CYBMUJFWSA-N 383.430 -0.083 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 609542476 CGCKLBPAAXPQTM-LLVKDONJSA-N 388.377 -0.251 5 10 GBBE Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cn1 1296323536 QVCACJMQKGALCN-WHDAMIPWSA-N 379.398 -0.178 5 10 GBBE CN1C(=O)[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 1328096587 YQUPVDXMIGJAAA-ZDUSSCGKSA-N 386.368 -0.389 5 10 GBBE COCCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1626882699 QLMOJPCXUWOQRE-GFCCVEGCSA-N 387.414 -0.191 5 10 GBBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)CCS(C)(=O)=O)cc1[N+](=O)[O-] 1867022812 QRIINJCEMQJJOE-SNVBAGLBSA-N 389.386 -0.546 5 10 GBBE CC(C)(C)OC(=O)NCC(CO)(CO)NC(=O)c1cc([N+](=O)[O-])cnc1O 2280485446 XAKXUGDAXFZSSS-UHFFFAOYSA-N 386.361 -0.327 5 10 GBBE CN(C)CCN1C(=O)C[C@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 414110710 OMSATXGHIWMHPE-AWEZNQCLSA-N 376.417 -0.199 5 10 GBBE O=C1N[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCO1 858137024 DEFPVUXLIKUXAH-CYBMUJFWSA-N 398.397 -0.074 5 10 GBBE CNC(=O)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1461042413 IZAAXQOYUAASBR-NSHDSACASA-N 384.414 -0.190 5 10 GBBE NC(=O)C1(NC(=O)c2ccc(I)c([N+](=O)[O-])c2)CNC1 2296086606 DNXNQZBBBPCHRS-UHFFFAOYSA-N 390.137 -0.244 5 10 GBBE O=C(Cc1ccccc1[N+](=O)[O-])NCCNC(=O)NCCN1CCOCC1 586430858 WOLKGFOIHSEBLK-UHFFFAOYSA-N 379.417 -0.115 5 10 GBBE CC[C@@H]1NCC[C@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 599964475 KPUILFKNNBHMNO-QWHCGFSZSA-N 376.417 -0.105 5 10 GBBE O=C1CN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCN1 1629674151 QBSZMYJTKMSXKF-UHFFFAOYSA-N 375.385 -0.689 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC(=O)N1C 1630905024 NDRMDMBMHDDVLJ-GFCCVEGCSA-N 384.414 -0.048 5 10 GBBE NC(=O)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCCNC=O 1861033155 CWMUNMHALXSSLP-CYBMUJFWSA-N 379.373 -0.789 5 10 GBBE COCCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518560 KVQYJLSXHOMWGD-UHFFFAOYSA-N 375.389 -0.004 5 10 GBBE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 2233973903 JQSVATDGWDTPPM-GMXVVIOVSA-N 385.377 -0.751 5 10 GBBE O=C(C(=O)N1C[C@H](O)CC(F)(F)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1325457697 GCUYHXRKZBSXSO-LLVKDONJSA-N 399.354 -0.133 5 10 GBBE O=C(CN1CCN2CCOC[C@]2(CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 1620619110 VMOGGCAHGZPSJJ-GOSISDBHSA-N 376.413 -0.137 5 10 GBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCO)cc1[N+](=O)[O-] 1861810395 WXDPGGUDDFBOBY-ZWNOBZJWSA-N 382.329 -0.505 5 10 GBBE NC(=O)CC[C@H](NC(=S)NCCNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 585858541 MWQSSWODGLPEGA-NSHDSACASA-N 397.413 -0.493 5 10 GBBE C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C 1629591138 PBOBMSURERJOKI-ZWNOBZJWSA-N 385.446 -0.394 5 10 GBBE O=c1ccc([N+](=O)[O-])cn1CCN1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1648034872 CTOSAKDKCCNCEQ-HNNXBMFYSA-N 384.458 -0.049 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 805067513 VIMWGZPNTDOZRQ-UHFFFAOYSA-N 393.400 -0.313 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCCN1CCOCC1 1290097825 UYXWYYFQHQVJSJ-UHFFFAOYSA-N 386.430 -0.288 5 10 GBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 1350424309 VCODMMIVTSMCCB-LBPRGKRZSA-N 389.420 -0.275 5 10 GBBE N=c1nc(N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)c([N+](=O)[O-])c[nH]1 2173805720 KZZAUIGHKSMXNT-NTSWFWBYSA-N 377.283 -0.844 5 10 GBBE CN[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 420108834 AHXBXWCITKOUEI-LBPRGKRZSA-N 377.401 -0.397 5 10 GBBE O=C(O)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 422929545 QLEHFXXXSPOBKC-LLVKDONJSA-N 377.357 -0.429 5 10 GBBE CN(C)S(=O)(=O)N1CC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 863545138 IQWHLUNQOUCASU-UHFFFAOYSA-N 386.386 -0.607 5 10 GBBE O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@]12COCCN1C(=O)COC2 1313169450 WYSLATUDLMHBBC-QGZVFWFLSA-N 393.400 -0.066 5 10 GBBE O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCN2CCOC[C@]2(CO)C1 1456232202 FTDHRWBJRPARFX-FUHWJXTLSA-N 390.396 -0.007 5 10 GBBE CN(CC(=O)N1CC(N[C@H]2CCOC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1647773383 SVORJNVDPBCMLR-LBPRGKRZSA-N 398.441 -0.195 5 10 GBBE O=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CN1 514573230 FNRZMSIPQVZAPB-LBPRGKRZSA-N 396.425 -0.046 5 10 GBBE C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 591423592 GEBKFKLPHONVPH-OCCSQVGLSA-N 376.417 -0.247 5 10 GBBE CN1C2(CCC2)COC[C@@]1(CO)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599387499 NWPFVPPTMZIBEM-AWEZNQCLSA-N 389.434 -0.778 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N3CC(CO)(CO)C3)cc2[N+](=O)[O-])CC1 1558287983 BSUNHLUTKDAEDL-UHFFFAOYSA-N 392.412 -0.310 5 10 GBBE O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC(F)(F)CN1 262959897 KPBHXCXDVMISFI-LLVKDONJSA-N 378.357 -0.014 5 10 GBBE CNC(=O)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1626931948 HYGZSQWPILGGBU-NSHDSACASA-N 384.414 -0.142 5 10 GBBE O=C(C(=O)N1C[C@@H](O)CC(F)(F)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1325457699 GCUYHXRKZBSXSO-NSHDSACASA-N 399.354 -0.133 5 10 GBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCCO)cc1[N+](=O)[O-] 1861808918 IBCRRDKJYDWBTE-RISCZKNCSA-N 396.356 -0.115 5 10 GBBE O=C(CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 16519870 IRPJSOMQXXVMCH-UHFFFAOYSA-N 398.441 -0.240 5 10 GBBE CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599229626 GHCZATSLURIEAY-UHFFFAOYSA-N 388.450 -0.497 5 10 GBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCOC[C@H]1CNS(C)(=O)=O 599507716 QJKINXKVVIUXAM-LLVKDONJSA-N 393.443 -0.158 5 10 GBBE NCCCOCCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 599963196 ZDUKOCLEDUXBGB-UHFFFAOYSA-N 379.417 -0.275 5 10 GBBE CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 1348200047 VMXMBERPYIKKFF-CQSZACIVSA-N 378.385 -0.302 5 10 GBBE C[C@@H](O)CNC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861129176 AUZMNWIMHRSOEA-KHVLIJPTSA-N 378.385 -0.145 5 10 GBBE CN1C[C@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)CC1=O 116587831 XYUOJXRKQYBHDR-GFCCVEGCSA-N 382.398 -0.342 5 10 GBBE COCCN1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1=O 282531584 VLXLYNRKOCMLSQ-UHFFFAOYSA-N 387.370 -0.182 5 10 GBBE CCN1CCN(CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1542953825 XXJLSOCRSZBSCU-UHFFFAOYSA-N 399.473 -0.373 5 10 GBBE NS(=O)(=O)c1ccc(Nc2ncc([N+](=O)[O-])c(=NCCOCCO)[nH]2)cc1 1871302902 YLVYOXXZVGYYJB-UHFFFAOYSA-N 398.401 -0.382 5 10 GBBE CN(C)c1nc(CNC(=O)c2cnc([N+](=O)[O-])n2C)nc(N2CCOCC2)n1 1890855092 HFCYEEZBHBSHAJ-UHFFFAOYSA-N 391.392 -0.654 5 10 GBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2233979313 UHJXSCFUHCQGGY-JFGNBEQYSA-N 385.377 -0.601 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 500939041 MWQGJASMVMJRSW-CQSZACIVSA-N 398.441 -0.206 5 10 GBBE CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN3[C@H](CNS3(=O)=O)C2)s1 1640449563 NHSWXHAEGYZFQX-SSDOTTSWSA-N 382.445 -0.602 5 10 GBBE O=C(/C=C/CN1CCOCC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1292358474 KFLHOZMIQFOCRH-GORDUTHDSA-N 398.441 -0.122 5 10 GBBE C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 1545547598 PQWAPHMCSIVZKX-WCQYABFASA-N 386.430 -0.292 5 10 GBBE O=C(CN1CCN2[C@@H](CNS2(=O)=O)C1)N1CCc2ccc([N+](=O)[O-])cc21 1620608688 VTJYCVGJHFTJOR-ZDUSSCGKSA-N 381.414 -0.682 5 10 GBBE CCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518832 WXHGCFNDKMUBSS-UHFFFAOYSA-N 377.405 -0.020 5 10 GBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 541114344 MPXYRENZPNXBSQ-LSDHHAIUSA-N 399.425 -0.339 5 10 GBBE COCCN(C)CCN1C[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O 1629140928 KDOOBLCWVTWENM-PBHICJAKSA-N 394.428 -0.077 5 10 GBBE CC(=O)NCCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861028927 SPCPFYZIAQZBLC-NSHDSACASA-N 399.791 -0.526 5 10 GBBE O=C1C[C@H](CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C(=O)N1 1595956382 MDRDUUKKBGYMOJ-SECBINFHSA-N 380.382 -0.007 5 10 GBBE O=c1ccc2nc3ccc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)cc3oc-2c1 4521824 QULZFZMEBOATFS-YYWYGQEZSA-N 375.333 -0.529 5 10 GBBE COC(=O)c1cnc(N2CCN(CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 276649064 YSXUZJBCFISELY-UHFFFAOYSA-N 393.400 -0.243 5 10 GBBE CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 845856140 ULFNRGBTNBSTLI-UHFFFAOYSA-N 392.459 -0.223 5 10 GBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1329372247 WDUUKQOSUYQZLX-KOLCDFICSA-N 377.400 -0.434 5 10 GBBE CNc1nc[nH]c(=NC[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 2358563217 ZFYSXWLTWABKSF-ATZCPNFKSA-N 384.393 -0.399 5 10 GBBE CN(CCO)CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 1559278385 ZMRXJXHMPNGKIL-UHFFFAOYSA-N 388.446 -0.048 5 10 GBBE O=C(C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1327375616 OQPUDTASQVNWDC-LSXCKUSFSA-N 392.437 -0.025 5 10 GBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 1346219574 VPOYUQAMOHDKAQ-CQSZACIVSA-N 386.368 -0.171 5 10 GBBE Cc1c(C(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@@H](C)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861793339 JGNIODHNBBCBCP-UGQGEIBHSA-N 396.356 -0.116 5 10 GBBE NC(=O)[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2ncnc(F)c2[N+](=O)[O-])C1 2162864710 GKHZENMGTJZRLZ-WDSKDSINSA-N 380.258 -0.117 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 517690826 PZPQGDBXJXPZBN-GFCCVEGCSA-N 384.414 -0.081 5 10 GBBE N[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[C@H]1F 595990276 WRXPYJIGPQVTDX-CHWSQXEVSA-N 380.380 -0.464 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)n1 599210398 ITNNUZHIFCQHHD-UHFFFAOYSA-N 380.386 -0.130 5 10 GBBE CN1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC1=O 1327785001 VPQDKRJDPUUOAP-UHFFFAOYSA-N 389.412 -0.066 5 10 GBBE C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1628917683 MTFIIIDFAUUTHN-OCCSQVGLSA-N 397.457 -0.622 5 10 GBBE O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593526372 FTEYUTVDRKMRAY-UHFFFAOYSA-N 399.429 -0.845 5 10 GBBE COc1ccc(C(=O)NCC(=O)NC[C@@H]2CN3CCCN2CC3)cc1[N+](=O)[O-] 597625706 KFLVVPLMLMQWIA-CQSZACIVSA-N 391.428 -0.161 5 10 GBBE O=Cc1ccc(OCC(=O)NC[C@@]23COCCN2C(=O)COC3)c([N+](=O)[O-])c1 1557972914 CWBUMJXZMICBPH-KRWDZBQOSA-N 393.352 -0.470 5 10 GBBE CN(C)S(=O)(=O)NCCNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 1636073546 RJHPCYATUNEBDR-UHFFFAOYSA-N 396.429 -0.035 5 10 GBBE COCc1ncc([N+](=O)[O-])c(=NCC(CO)(CO)NC(=O)OC(C)(C)C)[nH]1 2286633635 NHEWXJJPIDWGGV-UHFFFAOYSA-N 387.393 -0.387 5 10 GBBE Nc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)cc(CO)c1[N+](=O)[O-] 611525250 QQGGZUKYDLDUSE-UHFFFAOYSA-N 379.417 -0.350 5 10 GBBE Cc1c(N=c2[nH]c(N3CC(O)C3)nc(=NC[C@H](C)O)[nH]2)cccc1[N+](=O)[O-] 1871645433 KWJQFTDSOJGDGE-VIFPVBQESA-N 375.389 -0.351 5 10 GBBE CNS(=O)(=O)NC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 439208241 WPXFKUWTMOYXST-UHFFFAOYSA-N 392.459 -0.057 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 732072322 XZHIXZWDRZFXAE-CYBMUJFWSA-N 382.348 -0.034 5 10 GBBE O=C(O)CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CS(=O)(=O)C[C@@H]1O 1866351977 UPMNUNWVSRMMRM-QWRGUYRKSA-N 392.773 -0.067 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C=Cc1ccccc1[N+](=O)[O-] 2330663781 UWWWXIXQYNLFHK-HOCLYGCPSA-N 390.396 -0.178 5 10 GBBE COc1ccc(C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1[N+](=O)[O-] 1866359133 YQNBCPDKGRKPHQ-GHMZBOCLSA-N 388.354 -0.712 5 10 GBBE Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 31430680 HNRQCEZXCMMODB-UBEDBUPSSA-N 388.340 -0.405 5 10 GBBE CN(Cc1nnnn1C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 466813834 PKLZCGVVRZOKQH-UHFFFAOYSA-N 397.417 -0.224 5 10 GBBE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 592439876 HDRRVJNTONNTFQ-LBPRGKRZSA-N 375.385 -0.110 5 10 GBBE Cn1cc([C@H]2C[S@](=O)CCN2S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cn1 1261794082 DIPXLECPWJAUOW-YDGUKXNOSA-N 388.431 -0.444 5 10 GBBE C[C@H](O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1448059692 XBDUEVMDJBDBKO-LBPRGKRZSA-N 386.430 -0.602 5 10 GBBE COc1cc(C(=O)NCCNC(=S)NN2CCN(C)CC2)ccc1[N+](=O)[O-] 586404300 CFFJBGBLPQBJSD-UHFFFAOYSA-N 396.473 -0.040 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 599506348 GUONTGGTOAEZOY-VIFPVBQESA-N 397.406 -0.327 5 10 GBBE COc1cc(OCC(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)ccc1[N+](=O)[O-] 1588110754 GBXRABCHONJKGW-FKGLVLAHSA-N 389.320 -0.048 5 10 GBBE COc1ccc(CC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1[N+](=O)[O-] 600735033 LYOROHBZIWKEOG-LBPRGKRZSA-N 387.414 -0.078 5 10 GBBE CN1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1=O 1347020058 JDGSJHCIPSSWDO-UHFFFAOYSA-N 390.400 -0.671 5 10 GBBE O=C1CS(=O)(=O)C[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)N1 1356601272 OGGWNPXBIDVDGY-ZDUSSCGKSA-N 382.398 -0.843 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN1C=O 1638910005 QCDBGNKKSBPKHC-ZDUSSCGKSA-N 384.414 -0.048 5 10 GBBE C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 414566287 DLRIEPWUKKWTTG-CJNGLKHVSA-N 392.412 -0.148 5 10 GBBE O=C(C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 1347160546 OHQJTOBEMXAMLU-SJKOYZFVSA-N 375.337 -0.003 5 10 GBBE C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1633694174 PYMZTFREGBGDNP-IUODEOHRSA-N 382.442 -0.127 5 10 GBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CCN2[C@H](CNS2(=O)=O)C1 1646407576 YAULOBBHMYJBKX-SNVBAGLBSA-N 398.397 -0.270 5 10 GBBE O=[N+]([O-])c1cnc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(F)c1 413038493 DNMNPRJBSFMNDS-UHFFFAOYSA-N 375.382 -0.172 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 522023907 ANNUUHOBRBCRNF-CYBMUJFWSA-N 384.414 -0.249 5 10 GBBE O=C(COc1nonc1C(=O)NCCOCCO)Nc1cccc([N+](=O)[O-])c1 1872710082 SGFYCJKVRRWVEH-UHFFFAOYSA-N 395.328 -0.266 5 10 GBBE N=c1ccc([N+](=O)[O-])c(N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)[nH]1 2173803887 BRTULIDVEJOKCF-RQJHMYQMSA-N 376.295 -0.239 5 10 GBBE O=[N+]([O-])c1cnc2ccc(N3CCN(S(=O)(=O)N4CCOCC4)CC3)nn12 502396784 YVOUYJDYIJYBHK-UHFFFAOYSA-N 397.417 -0.664 5 10 GBBE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 553716202 VXTJYTODHDFWLE-LLVKDONJSA-N 387.418 -0.857 5 10 GBBE CCNC(=O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1540765580 JJWMDHSIMIAHRG-UHFFFAOYSA-N 398.441 -0.108 5 10 GBBE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 1634613455 IJKCKWPGHZUKLA-MDZLAQPJSA-N 396.425 -0.001 5 10 GBBE CS(=O)(=O)N1CCO[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 116883596 GJTFENYADYCCOD-VIFPVBQESA-N 394.431 -0.686 5 10 GBBE COC(=O)CCC(=O)CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 170210015 XFNVIHFEFXTWGH-UHFFFAOYSA-N 377.309 -0.171 5 10 GBBE CC[C@@H](C)[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 1353683680 FKFCNJYLGJIEFL-OCCSQVGLSA-N 396.448 -0.079 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(N2CCCS2(=O)=O)CC1 1570310483 CAIVYVYZQJVUDI-UHFFFAOYSA-N 384.414 -0.217 5 10 GBBE Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 499741327 MRSRGMHMODJVQC-UHFFFAOYSA-N 377.401 -0.206 5 10 GBBE CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 599501380 MONXQJRNSOCXFW-UHFFFAOYSA-N 382.395 -0.497 5 10 GBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 463105979 OUYUUWQBYBXDGF-CQSZACIVSA-N 388.384 -0.227 5 10 GBBE O=C(CN1CCOCC1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 468275423 ZJDGLYFGJZLVON-UHFFFAOYSA-N 382.398 -0.201 5 10 GBBE Cc1c(C(=O)N[C@H](CO)CN2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 578076471 JWOPGVJCDSLPTC-ZDUSSCGKSA-N 390.400 -0.093 5 10 GBBE COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C[C@H](O)C[C@H]2C1 1118326360 UARDCWLKFUZEPR-NWDGAFQWSA-N 385.398 -0.179 5 10 GBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 1134760097 IZEMCEYWXDVXDU-ZDUSSCGKSA-N 375.341 -0.213 5 10 GBBE O=C(/C=C\CN1CCOCC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1292358473 KFLHOZMIQFOCRH-DJWKRKHSSA-N 398.441 -0.122 5 10 GBBE N=c1nc(N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)c([N+](=O)[O-])c[nH]1 2173805722 KZZAUIGHKSMXNT-PHDIDXHHSA-N 377.283 -0.844 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@@H](O)[C@H](C)O)cc2[N+](=O)[O-])CC1 1301672661 VTRQWUBBTSSJSH-MEDUHNTESA-N 380.401 -0.265 5 10 GBBE CN(C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1C[C@@H](C(N)=O)C1 1335086250 VAJQNHADGZBFKW-BETUJISGSA-N 389.412 -0.034 5 10 GBBE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1439387246 RFXSIQALECJXBJ-KOLCDFICSA-N 383.382 -0.131 5 10 GBBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN2[C@@H](CNS2(=O)=O)C1 1654881677 JCVXSTBSYKVZHQ-JQWIXIFHSA-N 399.429 -0.235 5 10 GBBE C[C@H](O)CNC(=O)CCc1nnc(=NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1O 1860880299 UKGSEDZJGLMVBM-VIFPVBQESA-N 390.356 -0.411 5 10 GBBE O=C(O)CC[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(O)O 1866020076 AYCYMWNSHBGCLY-NSHDSACASA-N 383.357 -0.295 5 10 GBBE O=C1N(CN2CCOCC2)c2ccccc2C12OCC(CO)([N+](=O)[O-])CO2 16524599 GAAKDZLZUCMYGP-UHFFFAOYSA-N 379.369 -0.470 5 10 GBBE O=C([C@@H]1COCCO1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 32670642 HVSLSLLZZLPUFC-AWEZNQCLSA-N 385.398 -0.157 5 10 GBBE NC(=O)CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCO 1861127726 XFYIQDVBVRFGOE-CEOUIICOSA-N 378.385 -0.143 5 10 GBBE C[C@@H](O)CNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCNC=O)C1=O 1863601203 FVUCVTGENYESAI-LLVKDONJSA-N 376.369 -0.219 5 10 GBBE O=C(O)CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CS(=O)(=O)C[C@H]1O 1866359630 GLNQQBXTFXRPBD-GHMZBOCLSA-N 392.773 -0.067 5 10 GBBE COc1ccc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] 265290827 KGBKHLBCLCIQMN-VIFPVBQESA-N 379.416 -0.084 5 10 GBBE CC(=O)NCCN1C(=O)C(NCCCO)=C(c2ccccc2[N+](=O)[O-])C1=O 1863592361 VKROPPNOGDGWQA-UHFFFAOYSA-N 376.369 -0.217 5 10 GBBE O=C1CN(C(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 1873837042 WCJJRNPIGSIBJO-UHFFFAOYSA-N 389.412 -0.018 5 10 GBBE NC(=O)[C@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2nccc(N)c2[N+](=O)[O-])C1 2173846839 UKRPUWRAWPEHHQ-NKWVEPMBSA-N 376.295 -0.069 5 10 GBBE COc1nc(=NC[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]cc1[N+](=O)[O-] 2233972641 IDKJGAJFEKPUCG-MIMYLULJSA-N 385.377 -0.432 5 10 GBBE NC(CO)(CO)CNC(=O)c1ccc(I)c([N+](=O)[O-])c1 2296073888 AWHWWIOCPBUITQ-UHFFFAOYSA-N 395.153 -0.389 5 10 GBBE CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 368149874 CWEHNDRIRVANPQ-UHFFFAOYSA-N 399.429 -0.126 5 10 GBBE O=C(N[C@H](CO)CN1CCOCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 550244015 CGKCVSLGZLRZBI-LBPRGKRZSA-N 376.373 -0.402 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CN(S(=O)(=O)N(C)C)C1 599501766 VUUHPPFXMLFZDV-UHFFFAOYSA-N 394.431 -0.628 5 10 GBBE CCN1CCN(CC(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C(=O)C1=O 1648783192 QLQFXCFHFHLKJK-QGZVFWFLSA-N 378.385 -0.391 5 10 GBBE O=C(O)CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CS(=O)(=O)C[C@@H]1O 1866330133 FJHMWXQWYUYBPL-QWRGUYRKSA-N 392.773 -0.067 5 10 GBBE C[C@@H]1CCNC[C@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 591423593 GEBKFKLPHONVPH-TZMCWYRMSA-N 376.417 -0.247 5 10 GBBE COC(=O)[C@]1(N2CCN(C(=O)c3c([N+](=O)[O-])c(C)nn3C)CC2)CCOC1 1118944594 RAJQLNDGZAZMQC-INIZCTEOSA-N 381.389 -0.273 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)n1 1348151377 CFSBRJQGGXVIRM-GFCCVEGCSA-N 378.432 -0.082 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCN1CCNC1=S 1608342082 DHYRCTMWWIRIOY-UHFFFAOYSA-N 377.382 -0.503 5 10 GBBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN2[C@@H](CNS2(=O)=O)C1 1654881678 JCVXSTBSYKVZHQ-PWSUYJOCSA-N 399.429 -0.235 5 10 GBBE C[C@H](O)CNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCNC=O)C1=O 1863601204 FVUCVTGENYESAI-NSHDSACASA-N 376.369 -0.219 5 10 GBBE C[C@@H]1CN(CCO)CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 457097875 LHIKIWPTVXVBBL-GFCCVEGCSA-N 386.430 -0.602 5 10 GBBE CN(C)CCN1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1=O 593051985 SZGGTUPBLUVQQB-UHFFFAOYSA-N 393.400 -0.032 5 10 GBBE Cc1c(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 1544138863 GHMMYYGFKXJZSE-IAQYHMDHSA-N 399.473 -0.085 5 10 GBBE NC1[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1615977168 OWZHSDGAXBDMBO-UWVGGRQHSA-N 375.428 -0.413 5 10 GBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C(=O)Cn3cnnn3)CC2)c1 541113011 GZXCFVNISJYFMM-UHFFFAOYSA-N 375.345 -0.283 5 10 GBBE COC(=O)c1ccc(S(=O)(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] 594477355 BSAYANDWYUZPCC-WDEREUQCSA-N 385.398 -0.179 5 10 GBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@]1(CO)COCCN1Cc1ccccc1 598364127 KYCBIIZUFUHJFX-KRWDZBQOSA-N 390.400 -0.434 5 10 GBBE CN(CC(=O)N1CCOCC1)C(=O)Cn1cc([N+](=O)[O-])nc1Br 849990669 DYFDDBSYDWRASQ-UHFFFAOYSA-N 390.194 -0.129 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3C[C@H](O)[C@H](O)C3)cc2[N+](=O)[O-])CC1 1471950979 ARPUPNOEZAFAFB-AYGBPOKTSA-N 392.412 -0.123 5 10 GBBE Cn1c(N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc(=O)n(C)c1=O 1852329878 YLCXQLDKYZWAPP-UHFFFAOYSA-N 387.396 -0.117 5 10 GBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OC[C@H]1CNCCO1 594699110 QHZVTPHLEPEBGK-GFCCVEGCSA-N 387.414 -0.017 5 10 GBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1440640725 SGBVKRZJOVQDAC-MRVPVSSYSA-N 377.810 -0.084 5 10 GBBE CN(C)S(=O)(=O)N1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 378073507 OBFUUGCIWQUDDA-UHFFFAOYSA-N 389.438 -0.685 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1152437088 ZTIANRKZSCYPFC-ABAIWWIYSA-N 385.398 -0.391 5 10 GBBE CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1351361640 OFLSCCNRJAIFAC-UHFFFAOYSA-N 388.450 -0.593 5 10 GBBE O=C(NCC(=O)N1CCN2CCOC[C@@H]2C1)NCc1ccc([N+](=O)[O-])cc1 543604977 HVSOZJSAOMFHDW-HNNXBMFYSA-N 377.401 -0.063 5 10 GBBE CO[C@](C)(CO)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 594395806 IKCGGBQIUHDTBN-AWEZNQCLSA-N 375.403 -0.271 5 10 GBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CN(S(=O)(=O)N(C)C)C1 599501082 JBYAKTXMMQPQPA-UHFFFAOYSA-N 378.432 -0.328 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1 725375014 XSWHNKLFJGKQDX-UHFFFAOYSA-N 390.443 -0.797 5 10 GBBE COC(=O)[C@@H]1CN(C)C(=O)CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1198430713 UHHMBCJEEKRKKO-ZDUSSCGKSA-N 385.398 -0.316 5 10 GBBE CN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]2C1=O 1438542154 HNIKXNLEWOUNSA-AXFHLTTASA-N 390.352 -0.134 5 10 GBBE O=C1CS(=O)(=O)C[C@@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])N1 1583624286 SIFANQPKOAUSKR-JTQLQIEISA-N 375.790 -0.180 5 10 GBBE COC[C@@](C)(O)C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1630899127 BWEBGTHRJPIYSF-CQSZACIVSA-N 375.403 -0.271 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCNC1=O 1630904537 GLJXOIXSJRQZJR-LLVKDONJSA-N 384.414 -0.142 5 10 GBBE COc1cc(C(=O)NCCNC(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] 586429240 IDVZELYHSFXVTJ-UHFFFAOYSA-N 395.416 -0.035 5 10 GBBE CN(C)S(=O)(=O)N1CC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 600707340 AXIZVEIFWDCVOK-UHFFFAOYSA-N 386.386 -0.414 5 10 GBBE O=C1C(NCCO)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCN1CCOCC1 1863597979 VGBQUSUUKFXHOD-UHFFFAOYSA-N 390.396 -0.411 5 10 GBBE CCN1CCN(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 461978056 AFFPNWVKVJYTOL-UHFFFAOYSA-N 399.473 -0.373 5 10 GBBE COC(=O)c1ccc(S(=O)(=O)N(C)CCN2CCNCC2)cc1[N+](=O)[O-] 592983004 QKTOVSYHOYLQTA-UHFFFAOYSA-N 386.430 -0.093 5 10 GBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C[C@@H]12 598632884 CIURTPNIYJINMV-TUAOUCFPSA-N 399.429 -0.530 5 10 GBBE CNCCOCCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 599963387 CUYOHMGGRXWNBP-UHFFFAOYSA-N 379.417 -0.404 5 10 GBBE COc1cc(OCC(=O)N2CCN3CCOC[C@]3(CO)C2)ccc1[N+](=O)[O-] 1178894308 SSEKMEMYIGJAED-QGZVFWFLSA-N 381.385 -0.112 5 10 GBBE C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1633694173 PYMZTFREGBGDNP-DOMZBBRYSA-N 382.442 -0.127 5 10 GBBE O=[N+]([O-])c1cc(CO)c(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1F 1650939909 FCLAIYGWOHILHY-CABCVRRESA-N 389.405 -0.494 5 10 GBBE Cc1nnc2ccc(N3CCN(C[C@H](O)Cn4cc([N+](=O)[O-])cn4)CC3)nn12 174781546 PESHREXGDNGLBE-AWEZNQCLSA-N 387.404 -0.279 5 10 GBBE O=[N+]([O-])c1ccc(O)cc1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 519556587 OGJOXMURZLUZLH-UHFFFAOYSA-N 386.430 -0.005 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)n1 599096985 DAAPLESENQLCQQ-LLVKDONJSA-N 386.434 -0.839 5 10 GBBE CC(C)C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCCN(C)C 599267381 VVQBOTINHVTQLN-NSHDSACASA-N 390.466 -0.301 5 10 GBBE CN1CCOC[C@]1(CO)CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 1187634037 XAONYSNJPPSVQD-OAHLLOKOSA-N 388.446 -0.050 5 10 GBBE C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1628917681 MTFIIIDFAUUTHN-GXTWGEPZSA-N 397.457 -0.622 5 10 GBBE NC(=O)C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCCNC=O 1861123612 JZKNGEVLXIMLRY-GJBLVYBDSA-N 391.384 -0.780 5 10 GBBE C[C@@H](O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861129175 AUZMNWIMHRSOEA-JPUNHXPESA-N 378.385 -0.145 5 10 GBBE CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](CO)[C@@H](O)[C@H]1OC(C)=O 101178994 USHWODHGXQXCCH-CQJMVSDSSA-N 384.341 -0.512 5 10 GBBE CNC(=O)NC[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCO1 599129956 WMJWWFHHOWSWHX-NSHDSACASA-N 381.393 -0.644 5 10 GBBE Cc1sc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1[N+](=O)[O-] 299593563 DDJGQUPCJSURKR-VXGBXAGGSA-N 389.455 -0.120 5 10 GBBE CNC(=O)NC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCO1 599128441 KAHVJOMTLWGVPS-JTQLQIEISA-N 378.389 -0.081 5 10 GBBE O=C1CS(=O)(=O)C[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)N1 1623883062 VBLBEBVZKDXUBO-NSHDSACASA-N 382.398 -0.843 5 10 GBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NC[C@@H](C)O)cc1[N+](=O)[O-] 1861809975 RYEWCRDQCMHASP-XPLICSAQSA-N 396.356 -0.116 5 10 GBBE Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 499541210 BYIPDIJNJKBZOD-UHFFFAOYSA-N 399.429 -0.488 5 10 GBBE CN(C[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1)S(C)(=O)=O 599307894 NYQGJLGFQYHGFF-SNVBAGLBSA-N 395.463 -0.380 5 10 GBBE C[C@@H](O)[C@@H](NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1865770024 IWFJKZDNIDTOLD-AMIZOPFISA-N 379.325 -0.079 5 10 GBBE O=C(CN1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1)N1CCOCC1 274925455 BNLIZNLVNIWRFD-UHFFFAOYSA-N 379.373 -0.688 5 10 GBBE CS(=O)(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)Cc2ccccc21 490278391 YFUPALHCPKQKAL-UHFFFAOYSA-N 380.386 -0.005 5 10 GBBE CCN1CCN(C2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)CC1 1652629191 ZOBYLBOSKMCXHC-UHFFFAOYSA-N 397.457 -0.296 5 10 GBBE Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCCNC=O)ccc1[N+](=O)[O-] 1861818975 CLWCYGBANCYLIX-ZFWWWQNUSA-N 378.385 -0.269 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 44712195 HFWQPPOGXINJQD-UHFFFAOYSA-N 399.429 -0.367 5 10 GBBE Cc1nn(C)c(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)c1[N+](=O)[O-] 1472506653 OZXFZPVWSQDCLQ-UHFFFAOYSA-N 379.421 -0.238 5 10 GBBE C[C@@H]1COCCN1CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1585413472 OWILRCOQENAORY-GFCCVEGCSA-N 386.430 -0.290 5 10 GBBE CN1CC[C@](C)(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 1627749094 MDFTZKPGIOSRJP-OAHLLOKOSA-N 384.414 -0.142 5 10 GBBE C[C@H]1CN(c2nc(N3CCN(CCO)CC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 1871314618 BJNICKUMQBBRTR-TXEJJXNPSA-N 381.437 -0.305 5 10 GBBE COCCN(C(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O)[C@@H]1CCS(=O)(=O)C1 268699980 AXGFIPHDMNOWLJ-GFCCVEGCSA-N 387.414 -0.273 5 10 GBBE O=C(C(=O)N1CC[C@@H]2NCC[C@@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423594624 OIFSHNYTNVBSGD-KGLIPLIRSA-N 388.428 -0.151 5 10 GBBE COC(=O)[C@@]1(OC)CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 600282610 QVTCCQRLKHAOIA-QGZVFWFLSA-N 391.336 -0.019 5 10 GBBE CNC(=O)CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)NC 1644390949 RNQPPZRPDXVTII-UHFFFAOYSA-N 379.373 -0.313 5 10 GBBE CS(=O)(=O)c1ccc(N2CCS(=O)(=O)C[C@H]2CCO)c([N+](=O)[O-])c1 1655872564 LUMWEUHTSZMHFG-SNVBAGLBSA-N 378.428 -0.016 5 10 GBBE C[C@H](O)[C@H](NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1865770027 IWFJKZDNIDTOLD-SDBXPKJASA-N 379.325 -0.079 5 10 GBBE O=Cc1ccc(OCC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1639153636 FFMIHLITPSMDRX-NSHDSACASA-N 384.370 -0.853 5 10 GBBE O=[N+]([O-])c1cc(N=c2[nH]c(N3CC(O)C3)nc(=NCCCO)[nH]2)ccc1Cl 1871576379 PXROJUJEOGNHPS-UHFFFAOYSA-N 395.807 -0.004 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1 427813217 RMOOPAROCFUMHY-UHFFFAOYSA-N 378.389 -0.282 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 500939039 MWQGJASMVMJRSW-AWEZNQCLSA-N 398.441 -0.206 5 10 GBBE CS(=O)(=O)N1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1352508840 FOGWKRFALGMTOF-UHFFFAOYSA-N 394.413 -0.048 5 10 GBBE CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867794929 AMCSKGPYHCDRQY-GXSJLCMTSA-N 381.389 -0.998 5 10 GBBE O=C(N[C@H]1CCNC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 418387688 RNRFMEPIRGHCEL-LBPRGKRZSA-N 383.430 -0.027 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N3C[C@H](O)[C@@H](CO)C3)cc2[N+](=O)[O-])CC1 1637679008 XSLFVGPKMICSHQ-PBHICJAKSA-N 392.412 -0.312 5 10 GBBE O=C1CC[C@H](NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C(=O)N1 827117751 ONCFPKXJGPWABM-VIFPVBQESA-N 382.279 -0.045 5 10 GBBE CCON(C)C(=O)CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1118364641 QRJAVGKTECFOBF-UHFFFAOYSA-N 393.400 -0.231 5 10 GBBE COc1ccc(C(=O)NCCNC(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 586428860 BNFLEDIZOOKDLP-UHFFFAOYSA-N 395.416 -0.035 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 599505891 CCDZABACXJRYCT-NSHDSACASA-N 379.416 -0.467 5 10 GBBE O=C(NCC(=O)N1CC(C2CS(=O)(=O)C2)C1)NCc1ccc([N+](=O)[O-])cc1 1637188596 HQWSPYKOTPHTGG-UHFFFAOYSA-N 396.425 -0.103 5 10 GBBE COc1ccc(N=c2[nH]c(N(C)CCO)nc(=NC[C@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871706590 JFUIDFGCNBPXHY-JTQLQIEISA-N 393.404 -0.403 5 10 GBBE Cn1cc(C(=O)N2CCO[C@@H](C(=O)N3CCSCC3)C2)cc([N+](=O)[O-])c1=O 1891833614 NOTUTRFMZFSCEQ-CYBMUJFWSA-N 396.425 -0.290 5 10 GBBE CC(=O)NCCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1cccc([N+](=O)[O-])c1 1861029766 DASWJZGVDASNIQ-CYBMUJFWSA-N 379.373 -0.789 5 10 GBBE O=c1c2ccc3c(=O)n(CCCO)c(=O)c4ccc(c(=O)n1CCCO)c2c34 6222176 NAUSJMSIULQNJX-UHFFFAOYSA-N 382.372 -0.170 5 10 GBBE C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CN1 599963184 YVXAPHAWLVHQCM-QWHCGFSZSA-N 376.417 -0.105 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2C(=O)OCC[C@@H]2C1 1295108850 RSPINKGCOSFUJM-LLVKDONJSA-N 398.397 -0.074 5 10 GBBE Cn1[nH]c(=N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2S(C)(=O)=O)nc1[N+](=O)[O-] 2345005056 SZXKFGCADYDHOG-BDAKNGLRSA-N 390.422 -0.410 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N3CC(O)(CO)C3)cc2[N+](=O)[O-])CC1 597706258 SONFMQRYXAOHJC-UHFFFAOYSA-N 378.385 -0.558 5 10 GBBE CN1CCN(S(=O)(=O)c2ccc(N3CC(C)(C(N)=O)C3)c([N+](=O)[O-])c2)CC1 563052489 CPGICUSLXODNGR-UHFFFAOYSA-N 397.457 -0.158 5 10 GBBE Cn1cnn(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=O 758290346 MSNYINWUZQGLBV-UHFFFAOYSA-N 382.402 -0.546 5 10 GBBE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 843253335 KANYQIDLMARLFI-LBPRGKRZSA-N 375.385 -0.110 5 10 GBBE CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 1137306629 AUWMIMVOBMKTKX-LLVKDONJSA-N 384.414 -0.048 5 10 GBBE COC(=O)[C@@]1(F)CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1149481383 BDZHNHNSJUIULR-CQSZACIVSA-N 389.361 -0.013 5 10 GBBE COc1cc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)c([N+](=O)[O-])cc1F 1306662302 XGCJGEWSTBZVIA-UHFFFAOYSA-N 390.393 -0.211 5 10 GBBE O=C(CN1CC[C@H]1CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1648426804 OEUPARKSRXZRST-AWEZNQCLSA-N 398.441 -0.506 5 10 GBBE C[C@H](O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330669618 AUZMNWIMHRSOEA-AAEUAGOBSA-N 378.385 -0.145 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN2CCOC[C@@H]2C1 542670514 LHNXYWFIWHIKTK-ZDUSSCGKSA-N 376.369 -0.137 5 10 GBBE O=C([C@@H]1[C@H]2CNC[C@H]21)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 592477842 IEYDSRGOSDKVFI-FICVDOATSA-N 380.426 -0.107 5 10 GBBE CN1C2(CCC2)COC[C@]1(CO)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 599387120 HTZOPRNXXSHEBW-OAHLLOKOSA-N 386.430 -0.116 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N3C[C@@H](O)[C@H](CO)C3)cc2[N+](=O)[O-])CC1 1637679010 XSLFVGPKMICSHQ-WMLDXEAASA-N 392.412 -0.312 5 10 GBBE CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867794373 KSTSXDPKXWEAHU-IUCAKERBSA-N 382.373 -0.019 5 10 GBBE Cc1cc([N+](=O)[O-])cn(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1=O 489091461 NBDOSFXHCKZKBW-CYBMUJFWSA-N 398.441 -0.604 5 10 GBBE CN(CC1(O)CCOCC1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1447723836 IQZTXDHEENRHDO-UHFFFAOYSA-N 387.414 -0.127 5 10 GBBE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 2358557455 JQSVATDGWDTPPM-LOWVWBTDSA-N 385.377 -0.751 5 10 GBBE C[C@H]1OCCN[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 262011615 VPWPNTCVZFYWJE-DOMZBBRYSA-N 398.441 -0.195 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C 609542549 IODFEBVUVDDNKT-GFCCVEGCSA-N 384.414 -0.081 5 10 GBBE COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] 1118440633 KACUUGJCEBUYFJ-JTQLQIEISA-N 379.416 -0.186 5 10 GBBE NC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1ccnc1 1861033812 NNZAYTCIBDSOMU-AWEZNQCLSA-N 388.384 -0.028 5 10 GBBE O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 15928319 WYDLQOMODGJTFJ-UHFFFAOYSA-N 393.381 -0.175 5 10 GBBE CNC(=O)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1461042412 IZAAXQOYUAASBR-LLVKDONJSA-N 384.414 -0.190 5 10 GBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1627285931 OWMLQRKDFGMLPK-ZIAGYGMSSA-N 390.352 -0.070 5 10 GBBE CC(=O)NCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCO)C1=O 1863592955 FPSWQYOOJSVVEC-UHFFFAOYSA-N 376.369 -0.217 5 10 GBBE O=c1ccc2nccc3c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4n1c23 32296833 MWPUPIWCFYQPEG-LWUBGYQZSA-N 398.371 -0.383 5 10 GBBE biogenic,in-vitro O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCNC(=S)N[C@@H](CO)C(=O)O 585859010 UZTSOLZROQJLOJ-UXONFWTHSA-N 382.398 -0.366 5 10 GBBE COCC(COC)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599327247 QDNOGIFLBCMZRJ-UHFFFAOYSA-N 377.423 -0.704 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 599505828 AQPLDNFEPPFRST-JTQLQIEISA-N 379.416 -0.467 5 10 GBBE CN1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O 613865223 LEEFPMZRRZDPAR-CQSZACIVSA-N 396.425 -0.094 5 10 GBBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)CCS(C)(=O)=O 1867023058 UXUHUPXUUXSOOX-LLVKDONJSA-N 389.386 -0.546 5 10 GBBE CCc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCO)[nH]2)cc1[N+](=O)[O-] 1871621962 ZLVCFLCZECOBIF-UHFFFAOYSA-N 375.389 -0.485 5 10 GBBE NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN3CCCN2CC3)cc1[N+](=O)[O-] 597624974 MZMWBGNBCBFCSE-LBPRGKRZSA-N 383.430 -0.638 5 10 GBBE O=C(/C=C/CN1CCOCC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1293316967 HDZIZRTUDLVJKA-ZZXKWVIFSA-N 398.441 -0.122 5 10 GBBE CCOC(=O)[C@@H](CC(N)=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866024490 ZJYYJWBOUALIKQ-SECBINFHSA-N 392.324 -0.886 5 10 GBBE COC(=O)[C@H]1CC(=O)NN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 170210124 YYWXLXWFFBUGGI-QMMMGPOBSA-N 390.308 -0.757 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CN(S(C)(=O)=O)C1 494330972 NOYURQISEUQKCB-UHFFFAOYSA-N 379.416 -0.227 5 10 GBBE CS(=O)(=O)c1cc(C(=O)N2CCC(=O)NCC23COC3)cc([N+](=O)[O-])c1 1598148455 MESBQGSMIPARCF-UHFFFAOYSA-N 383.382 -0.271 5 10 GBBE Cn1ccnc1C1(O)CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 1643444851 AKMNDQWDWULKMD-UHFFFAOYSA-N 387.352 -0.216 5 10 GBBE COC(=O)CNC(=O)CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 1867863478 VMZZKVJCQXWVCT-UHFFFAOYSA-N 380.357 -0.571 5 10 GBBE CS(=O)(=O)N[C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 265227060 ATXKOCJCIKYWAJ-LBPRGKRZSA-N 384.414 -0.135 5 10 GBBE NC(=O)c1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] 596071263 NUHSHNCKRMLVPP-UHFFFAOYSA-N 399.429 -0.607 5 10 GBBE Cc1c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NC[C@@H](C)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861793341 JGNIODHNBBCBCP-XPLICSAQSA-N 396.356 -0.116 5 10 GBBE C[C@@H]1CN(CCO)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 457099638 VRLUZBKUNSMHJB-LLVKDONJSA-N 376.369 -0.284 5 10 GBBE CNC(=O)NC[C@H]1CN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCO1 863285311 HLBRHCYOCPIZKU-NSHDSACASA-N 377.357 -0.222 5 10 GBBE O=C1C[C@@H](CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C(=O)N1 1595956384 MDRDUUKKBGYMOJ-VIFPVBQESA-N 380.382 -0.007 5 10 GBBE Cn1c(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cc(=O)n(C)c1=O 1849466103 TZTLFIQUARHRSL-UHFFFAOYSA-N 387.396 -0.117 5 10 GBBE N[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1CS(=O)(=O)C2 725373202 CPIBVYWABTXMCP-IWIIMEHWSA-N 375.428 -0.413 5 10 GBBE CN1C(=O)CN(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O 776201079 XUHYJRIQPWMDAB-UHFFFAOYSA-N 397.413 -0.247 5 10 GBBE CN1CCN(S(=O)(=O)c2ccc(NC[C@@](C)(O)CO)c([N+](=O)[O-])c2)CC1 480856516 ZUXNPHQKNYEXBK-OAHLLOKOSA-N 388.446 -0.314 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@H]2C1 544581557 MRUITJFXPDOHKD-CQSZACIVSA-N 398.441 -0.194 5 10 GBBE Cc1c(C(=O)NCCNC(=S)N[C@H](C(=O)O)[C@@H](C)O)cccc1[N+](=O)[O-] 585861039 MUMKGJJUQHMBAT-SKDRFNHKSA-N 384.414 -0.069 5 10 GBBE CS(=O)(=O)NCCNC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 822362999 OEEFKYFHQCYXBU-UHFFFAOYSA-N 392.340 -0.301 5 10 GBBE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC 1620643304 CKHHNECTBXZQTL-LBPRGKRZSA-N 380.357 -0.143 5 10 GBBE NS(=O)(=O)NC1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 1642821003 DLOGXBWDUFALEA-UHFFFAOYSA-N 393.219 -0.096 5 10 GBBE CCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871643358 BVVCJFIHXIAYNB-UHFFFAOYSA-N 377.405 -0.102 5 10 GBBE C[C@@H](O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 414056580 QZBSLJRDFXNVPW-BXUZGUMPSA-N 387.414 -0.129 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)n1 427522789 DLASWBGWENPRCY-UHFFFAOYSA-N 380.405 -0.572 5 10 GBBE CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 1118331205 MIWXVAXGZRSREC-LSDHHAIUSA-N 376.413 -0.127 5 10 GBBE CN(C)S(=O)(=O)CCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1873715360 USNYQSQNYYDUKL-UHFFFAOYSA-N 384.370 -0.802 5 10 GBBE CN1C[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1=O 265635863 GUWBUZQBKDVJFX-LLVKDONJSA-N 384.414 -0.048 5 10 GBBE CN1C[C@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC1=O 287042267 OUOIGTXGJRYCLD-CYBMUJFWSA-N 389.412 -0.020 5 10 GBBE Cn1cc(CN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c([N+](=O)[O-])n1 1194349021 WAHCBEFAPMKKMU-UHFFFAOYSA-N 380.452 -0.582 5 10 GBBE CNC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1867794371 KSTSXDPKXWEAHU-BDAKNGLRSA-N 382.373 -0.019 5 10 GBBE O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(O)ccc1[N+](=O)[O-] 375748762 KTGZPBDVNSUAKQ-LBPRGKRZSA-N 378.385 -0.037 5 10 GBBE O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(n2cnnn2)CCOCC1 596785127 JTTLNXAYCRXYQC-UHFFFAOYSA-N 388.388 -0.169 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 600728753 QODKVYJQJOYPIQ-SNVBAGLBSA-N 387.370 -0.286 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861131053 AICPSPASHPGPPE-QDNWOOLPSA-N 390.396 -0.178 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1266619114 ZVRNXRHLQCUPCB-XHDPSFHLSA-N 385.398 -0.391 5 10 GBBE O=C1C[C@]2(CCN(C(=O)C(=O)NCCOc3ccc([N+](=O)[O-])cc3)C2)CN1 1323374022 QZHPJXODZPEVIO-QGZVFWFLSA-N 376.369 -0.172 5 10 GBBE CN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 1624823345 IGIYRVZCBLONLH-YPMHNXCESA-N 384.414 -0.213 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 522417836 RQNRTLHMKBVQTL-ZDUSSCGKSA-N 384.414 -0.081 5 10 GBBE CS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593538391 MPGCQRCPRHVAIG-UHFFFAOYSA-N 378.432 -0.060 5 10 GBBE CNS(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)[C@H](C)C2)c([N+](=O)[O-])c1 596478798 NLNHAVVMTJKBJV-SNVBAGLBSA-N 392.459 -0.027 5 10 GBBE Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCN(c3cnccn3)CC2)n1 784504940 HOCRMJFWBOPNHY-UHFFFAOYSA-N 375.345 -0.376 5 10 GBBE COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2[C@H](CNS2(=O)=O)C1 1644632713 DORKOSBAOWHLST-LLVKDONJSA-N 385.402 -0.624 5 10 GBBE O=C(O)CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CS(=O)(=O)C[C@H]1O 1866332691 MVHZVEOLSIGUTN-WDEREUQCSA-N 392.773 -0.067 5 10 GBBE CN(CCO)CCN(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1149206773 UWJBTRHDLPBUGM-UHFFFAOYSA-N 388.446 -0.402 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1329657644 TUUKAVVIPPQBHT-MRXNPFEDSA-N 380.357 -0.856 5 10 GBBE C[C@@H]1CN(S(=O)(=O)N2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 1559068371 ZDBBRJRVBGDITJ-VXGBXAGGSA-N 388.450 -0.196 5 10 GBBE O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCN1CCNCC1 244376120 YBSFCYUGHDTFRT-UHFFFAOYSA-N 389.412 -0.008 5 10 GBBE NCC1(CCNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 593772206 LFYXKVUAKNJFED-UHFFFAOYSA-N 376.417 -0.116 5 10 GBBE Cc1c(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 1544138853 GHMMYYGFKXJZSE-ABAIWWIYSA-N 399.473 -0.085 5 10 GBBE NC(=O)CC[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NCCCO 2330669701 KWFXHMBSYAQAKV-CYBMUJFWSA-N 378.385 -0.143 5 10 GBBE CN(C1CC1)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 609896045 GOYQBNKPZPKBFV-UHFFFAOYSA-N 378.432 -0.198 5 10 GBBE COc1ccc(CNC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] 1117087394 CLMZUBRHPZEGDL-QGZVFWFLSA-N 376.369 -0.042 5 10 GBBE CC(=O)NC[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCO1 1136880091 FUAIUDLVOIWTNH-NSHDSACASA-N 385.398 -0.025 5 10 GBBE Cn1c(O)nc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1=O 1458054765 RQXSMWRIDQFQSG-UHFFFAOYSA-N 395.397 -0.095 5 10 GBBE O=C(NCCN1CCOCC1)[C@H]1C[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1 1861038004 QLORUJHOJWXGMS-JKSUJKDBSA-N 392.412 -0.381 5 10 GBBE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 592439619 ADINXPGUGJLBQK-LBPRGKRZSA-N 375.385 -0.110 5 10 GBBE CCS(=O)(=O)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 599308589 UAKBPCYXRTXZSS-SECBINFHSA-N 381.436 -0.627 5 10 GBBE O=C1O[C@H]2CNC[C@H]2N1C1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 1328798680 GTCWGOOVYXACNH-NEPJUHHUSA-N 397.413 -0.065 5 10 GBBE Cc1c(C(=O)NCCNC(=O)N2CCN(CCO)CC2)cccc1[N+](=O)[O-] 585857304 SYZGEBSHGDDWPX-UHFFFAOYSA-N 379.417 -0.047 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)n1 599231185 WGBSPHVPBOROCJ-LLVKDONJSA-N 387.418 -0.270 5 10 GBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N1CCN(C)CC1 915353240 UQHCLEYSRFDOMG-UHFFFAOYSA-N 386.430 -0.002 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861134781 UWWWXIXQYNLFHK-LREFGLRZSA-N 390.396 -0.178 5 10 GBBE COC(=O)[C@@]1(O)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 1308032670 GZAGUTHUPKOFBT-GOSISDBHSA-N 392.412 -0.147 5 10 GBBE COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2CCOC[C@@]2(CO)C1 1620618754 MTEYTNXNVBQJFU-KRWDZBQOSA-N 380.401 -0.079 5 10 GBBE O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1[nH]nc([N+](=O)[O-])c1Cl 1628647016 QFCKXXWGVNNUCE-SECBINFHSA-N 386.796 -0.366 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCN(C)C1=O 1639894562 HDADXISMYNGEII-NSHDSACASA-N 384.414 -0.190 5 10 GBBE O=C(O)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CS(=O)(=O)C[C@H]1O 1866328243 IFEJIIXYISUMAN-GHMZBOCLSA-N 392.773 -0.067 5 10 GBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 593623292 YSQDSAHTFIBYNP-UHFFFAOYSA-N 386.430 -0.002 5 10 GBBE C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 840976720 FCHIXSCWGANNLW-BBRMVZONSA-N 392.412 -0.148 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCS(=O)(=O)N(C)C 1195486775 CRZHQONVOQLGOC-UHFFFAOYSA-N 394.475 -0.304 5 10 GBBE O=C1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCOC2)CCN1 1505358328 LANSIAIYKKPBOH-KRWDZBQOSA-N 388.384 -0.059 5 10 GBBE NC(=O)CC[C@@H](NC(=S)NCCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 585858224 NLUPLPOGZOWTNH-LLVKDONJSA-N 397.413 -0.493 5 10 GBBE CO[C@@]1(CO)CCCN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 1261617780 TYRMVLMUMBSOKB-KRWDZBQOSA-N 395.416 -0.045 5 10 GBBE CCN=c1nc(NC(CO)(CO)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c[nH]1 2280453833 OXDFDWXKCIIAGZ-UHFFFAOYSA-N 386.409 -0.102 5 10 GBBE COCCC(=O)NCCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 169842746 JDVNABMIWSWDTP-UHFFFAOYSA-N 378.341 -0.540 5 10 GBBE CN1C[C@@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC1=O 562090981 IHYYBWNYCHRRJE-NSHDSACASA-N 378.389 -0.308 5 10 GBBE Cn1nccc1[C@@H](O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1456188180 YFCXMDMXEZTPHG-ZDUSSCGKSA-N 375.341 -0.097 5 10 GBBE COc1nc(CNC(=O)c2cnc([N+](=O)[O-])n2C)nc(N2CCOCC2)n1 1890766787 DBLMJRGEZFRCFT-UHFFFAOYSA-N 378.349 -0.712 5 10 GBBE NC(=O)CC[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NCCCO 2330669702 KWFXHMBSYAQAKV-ZDUSSCGKSA-N 378.385 -0.143 5 10 GBBE O=C1CN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1 510941359 MXYIXJMWVKVDJJ-LLVKDONJSA-N 379.373 -0.660 5 10 GBBE CCOc1cc(N2CCN(C(=O)C(=O)NC3CNC3)CC2)ccc1[N+](=O)[O-] 570667735 DYRHKMXTGRBRBK-UHFFFAOYSA-N 377.401 -0.270 5 10 GBBE CCOC(=O)[C@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 1333746230 QXWIQOSONXBAJT-CQSZACIVSA-N 395.368 -0.120 5 10 GBBE CNS(=O)(=O)c1ccc(N2CCN3CCOC[C@]3(CO)C2)c([N+](=O)[O-])c1 1458635807 CTMPVUWWPMYABM-OAHLLOKOSA-N 386.430 -0.614 5 10 GBBE C[C@H](O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 412931329 UBFYLNGLIGGWJH-FZMZJTMJSA-N 387.414 -0.129 5 10 GBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 502732768 NMEAFLBHXSGXNE-UONOGXRCSA-N 384.414 -0.474 5 10 GBBE CN1CCOC[C@H]1CNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 599194561 QYKVGYFBBYLDMR-CYBMUJFWSA-N 386.430 -0.002 5 10 GBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1161434542 WLMOTCAUPIKXBY-UHFFFAOYSA-N 388.450 -0.123 5 10 GBBE COCCN(C)CCN1C[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O 1629140931 KDOOBLCWVTWENM-YOEHRIQHSA-N 394.428 -0.077 5 10 GBBE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)N1CCN(C)CC1 1640817668 CSFWZDWZOGXZAB-GFCCVEGCSA-N 381.437 -0.283 5 10 GBBE Cc1c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCCNC=O)cccc1[N+](=O)[O-] 1861012584 JXWLZWPMURSRQP-IUODEOHRSA-N 378.385 -0.269 5 10 GBBE O=C(NCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCOCCO 217306972 LDTMNKDKIWVZJU-UHFFFAOYSA-N 380.357 -0.111 5 10 GBBE C[C@@H](O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330592458 HGSGDOHHKMSGFR-RISCZKNCSA-N 378.385 -0.145 5 10 GBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 1331341069 WEMLHLVLFSJIPF-OLZOCXBDSA-N 386.478 -0.025 5 10 GBBE CS(=O)(=O)c1cc(C(=O)N2CCN3CCOC[C@]3(CO)C2)cc([N+](=O)[O-])c1 1472062451 IPYUBWDWWLZJDH-MRXNPFEDSA-N 399.425 -0.483 5 10 GBBE Cc1c(N=c2[nH]c(N3CC(O)C3)nc(=NCCN(C)C)[nH]2)cccc1[N+](=O)[O-] 1871645360 NOQVNVWAEYFAJC-UHFFFAOYSA-N 388.432 -0.170 5 10 GBBE Cc1[nH]c(=N)[nH]c(=NC[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] 2234034185 LWTCRJAJRZUFPB-FXPVBKGRSA-N 384.393 -0.719 5 10 GBBE C[C@@H](O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330632785 QAYKPIIBHUHHDI-RISCZKNCSA-N 378.385 -0.145 5 10 GBBE CC1(OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CNC1 592477824 FWQDNXBZDRQADJ-UHFFFAOYSA-N 398.441 -0.194 5 10 GBBE CN1CCN(C)CC(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1142206249 SFKONYMGOITKKW-UHFFFAOYSA-N 399.473 -0.517 5 10 GBBE COCC(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1630266552 YNMRPFPGKPHTKL-UHFFFAOYSA-N 385.398 -0.071 5 10 GBBE CC(=O)NCCNC(=O)[C@H](CC(N)=O)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330596587 LWJRZPPVZJRGHC-AWEZNQCLSA-N 391.384 -0.780 5 10 GBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNS(=O)(=O)c1cnc[nH]1 585230308 IMZXCBKOKPUAFE-UHFFFAOYSA-N 389.415 -0.117 5 10 GBBE Cc1c(CNC(=O)C(=O)N2CCN(c3nncn3C)CC2)cccc1[N+](=O)[O-] 594621738 ISHBNEOPPGJIAJ-UHFFFAOYSA-N 387.400 -0.003 5 10 GBBE CNCCOCCN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 600795772 BDCGGPQLYAOFQG-UHFFFAOYSA-N 394.432 -0.667 5 10 GBBE CN1CCN(C(=O)CNC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1637760777 IAADDFOOGMTSNJ-UHFFFAOYSA-N 387.400 -0.262 5 10 GBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CCN2[C@@H](CNS2(=O)=O)C1 1646407575 YAULOBBHMYJBKX-JTQLQIEISA-N 398.397 -0.270 5 10 GBBE CNC(=O)CC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 475281601 SXZBMSZSPCLXJD-UHFFFAOYSA-N 384.414 -0.128 5 10 GBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCC2(C1)OCCO2 1629962034 FKIRIHVFIUQMLF-UHFFFAOYSA-N 378.385 -0.110 5 10 GBBE O=C1CNC(=O)N1CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 519158569 JMTVLYHHWNNDKK-UHFFFAOYSA-N 397.413 -0.547 5 10 GBBE CN(C)CCN1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1=O 844714450 NINKAYVMOQVKRJ-UHFFFAOYSA-N 375.385 -0.146 5 10 GBBE CN1CCN(CC2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)CC1 1556752850 DEJYNENCTRKOKS-UHFFFAOYSA-N 397.457 -0.438 5 10 GBBE CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 522417835 RQNRTLHMKBVQTL-CYBMUJFWSA-N 384.414 -0.081 5 10 GBBE O=C(CN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 823877330 ZXVAEKWIXVNIHG-KRWDZBQOSA-N 392.412 -0.369 5 10 GBBE C[C@]1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCNC1=O 1440438790 RRBJMGSHXNNVDC-INIZCTEOSA-N 396.425 -0.046 5 10 GBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)n1 1627214820 MZMKOBCORBSUQV-UHFFFAOYSA-N 379.421 -0.064 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC(OCCO)CC1 1630723110 LXGLZADYTRBUMR-UHFFFAOYSA-N 387.414 -0.127 5 10 GBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1S(C)(=O)=O 1877646357 DWPKMQTXHLSGIO-IUCAKERBSA-N 390.422 -0.410 5 10 GBBE CN(CC(=O)N1CCOCC1)C(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 298286180 CRZHXISQUJNYDV-UHFFFAOYSA-N 378.341 -0.180 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN(c2nccnn2)CC1 600185010 PUCIPXHCXSLEEB-UHFFFAOYSA-N 399.367 -0.146 5 10 GBBE CS(=O)(=O)Nc1ccc(CC(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 1859271905 OXWJWYQXDCMFCE-UHFFFAOYSA-N 386.430 -0.043 5 10 GBBE CN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 296012290 TXTFDZAVLYJEEI-JSGCOSHPSA-N 398.441 -0.195 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H](CO)CN1CCOCC1 508339916 AHUKGFKYUISWQO-LBPRGKRZSA-N 394.384 -0.871 5 10 GBBE O=C(CCCN1C(=O)CNC1=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1160873057 VDOJKIISUWTYAG-UHFFFAOYSA-N 376.373 -0.030 5 10 GBBE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)CCN2C1=O 1321459536 GXXMQXXCGWVRJY-ZDUSSCGKSA-N 389.368 -0.294 5 10 GBBE COc1ccc(NC(=O)CCN2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1560169437 MORCBOAJEBMDKC-LLVKDONJSA-N 399.429 -0.234 5 10 GBBE CN1CCN(c2ccc(C(=O)N[C@H](CCC(N)=O)C(=O)O)cc2[N+](=O)[O-])CC1 1866055708 DJJJVULPFSNKCJ-GFCCVEGCSA-N 393.400 -0.205 5 10 GBBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)O[C@H](CO)[C@H](O)[C@@H]1O 503927063 UBBCYDPSFMEFFL-MBJXGIAVSA-N 376.749 -0.429 5 10 GBBE O=C(CCOC1CNC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 591917405 LJUDUWUOCGKPFS-UHFFFAOYSA-N 398.441 -0.194 5 10 GBBE CCN(CCO)c1nc(=NC[C@H](C)O)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521275 XVCOAHLTUHBAGV-NSHDSACASA-N 377.405 -0.022 5 10 GBBE CCN(CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 274419726 QAKZQZIGMHYRNK-UHFFFAOYSA-N 375.403 -0.026 5 10 GBBE CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)NC1=O 596643273 VSNRUBGPGIETBI-ZDUSSCGKSA-N 397.413 -0.549 5 10 GBBE CNC(=O)NC[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 599539475 FRGXTGVHEMNDIF-CYBMUJFWSA-N 386.430 -0.002 5 10 GBBE O=C1NC[C@@H](C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 732362623 KOPGWNPVXSQGLP-ZDUSSCGKSA-N 377.357 -0.532 5 10 GBBE CN(CC1CC1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1345454028 ZVBIIPHZPDMALK-UHFFFAOYSA-N 384.414 -0.142 5 10 GBBE COC(=O)[C@H](CO)NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1866026348 NQUCMAXLNRXGFU-LBPRGKRZSA-N 379.325 -0.379 5 10 GBBE CC(C)(C)OC(=O)NCC1(Oc2ncc([N+](=O)[O-])c(=N)[nH]2)CS(=O)(=O)C1 2267906937 WVZCMEQNSDGRHU-UHFFFAOYSA-N 389.390 -0.132 5 10 GBBE CNCCOCCN(C)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 600798269 TZHOXQMRHRQOFB-UHFFFAOYSA-N 382.421 -0.351 5 10 GBBE CC(=O)N[C@@H](C)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860755093 PYDLVBAKEFVOOD-NSHDSACASA-N 378.389 -0.721 5 10 GBBE CCOC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1866020788 NWNPWWMFMVADQH-GFCCVEGCSA-N 394.384 -0.032 5 10 GBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CN(S(=O)(=O)N(C)C)C1 599501691 UUMCPTIUMCBXDC-UHFFFAOYSA-N 394.431 -0.628 5 10 GBBE CN(C)CCNC(=O)[C@H](CC(N)=O)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861127658 VSUVUSWJHZRNIF-GPAKFWEMSA-N 377.401 -0.354 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCCNC=O)c1 1861345255 URUPMGOTMZIGKD-IAQYHMDHSA-N 394.384 -0.569 5 10 GBBE Cn1c(=O)cnn(-c2cc([N+](=O)[O-])c(ON3C(=O)CCC3=O)cc2F)c1=O 248005996 CAKHWNLNEYQSBZ-UHFFFAOYSA-N 379.260 -0.579 5 10 GBBE CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599261195 PXLRLSWHNYKDQF-NSHDSACASA-N 386.434 -0.745 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 732220992 KGNQDLPIHLOLOA-JTQLQIEISA-N 388.377 -0.251 5 10 GBBE C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CN(C)CCN1C 1293745231 PAHZUHQQLYXSCA-BXUZGUMPSA-N 389.412 -0.059 5 10 GBBE O=C(NCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21)c1cccc([N+](=O)[O-])c1 1637636838 UTNKHEMHHXVXID-UONOGXRCSA-N 397.409 -0.261 5 10 GBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 1646363517 YDEHEDQRMUHGPD-GFCCVEGCSA-N 379.325 -0.372 5 10 GBBE O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@]12COCCN1C(=O)COC2 1684632872 IBWSXNUVWLTJNI-QGZVFWFLSA-N 393.400 -0.066 5 10 GBBE CCNC(=O)C1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 443606698 UAPIOKRRFHSXKV-UHFFFAOYSA-N 384.414 -0.142 5 10 GBBE COCCN1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1=O 598617528 JXAQXOVVDZUVLP-UHFFFAOYSA-N 380.405 -0.094 5 10 GBBE NCCOCCOCCN(CC(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 725375335 VTXYVZFEITYGCK-UHFFFAOYSA-N 391.402 -0.338 5 10 GBBE O=C(N[C@@H](CO)CN1CCOCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 773371160 SQHOOTXADRZYOY-WBMJQRKESA-N 378.385 -0.103 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1CCNC1=O 1143114796 LHIWJTMIYVSVSI-NSHDSACASA-N 384.414 -0.142 5 10 GBBE COc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCCO)[nH]2)cc1[N+](=O)[O-] 1871705387 HDULBDBQSKWBMK-UHFFFAOYSA-N 391.388 -0.649 5 10 GBBE Cc1cc(C(=O)NCC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] 273097105 SYWIVSNMYKZFRK-GFCCVEGCSA-N 384.414 -0.217 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1134330442 RVAXUPZPTVXPMW-PHIMTYICSA-N 395.393 -0.177 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861128654 XMZCOWUMKMBCFB-KEMBLGFASA-N 390.396 -0.178 5 10 GBBE CCc1ccc(N=c2[nH]c(=NC[C@H](C)O)[nH]c(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871463622 FBSCVKMQUAZRQW-PHIMTYICSA-N 391.432 -0.063 5 10 GBBE O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1135633438 VTQRVPPVARCHSI-GJZGRUSLSA-N 383.426 -0.041 5 10 GBBE CCON(C)C(=O)CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1332843765 RJKVFRFIKZUGSR-UHFFFAOYSA-N 393.400 -0.231 5 10 GBBE Cn1cnc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 572926434 YDOAWHANTQFRLT-UHFFFAOYSA-N 380.386 -0.130 5 10 GBBE COc1ccc(C(=O)NCCNC(=O)N2CCN(CCO)CC2)cc1[N+](=O)[O-] 585878907 FVMWNLXCRYDMPE-UHFFFAOYSA-N 395.416 -0.347 5 10 GBBE O=C(N[C@H](CO)CN1CCOCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 590541784 SNZUAJSXKUIGSR-ZDUSSCGKSA-N 376.373 -0.402 5 10 GBBE CN1CC2(CN(C(=O)CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)OC1=O 817654097 FDWORPRDFDXXBV-UHFFFAOYSA-N 398.397 -0.122 5 10 GBBE CN1C(=O)CN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1=O 848048691 GSNPEAUCBNVCOU-UHFFFAOYSA-N 382.279 -0.140 5 10 GBBE COC(OC)C(=O)N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 1640220394 LFWRDBJWITWFPL-UHFFFAOYSA-N 394.384 -0.386 5 10 GBBE CN(C)c1cc(F)c(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1[N+](=O)[O-] 1178721114 NVMGUJKTFYMFFF-SECBINFHSA-N 387.393 -0.226 5 10 GBBE O=C(O)CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CS(=O)(=O)C[C@H]1O 1866311260 PLONMESESZNDHX-IJWDBEHRSA-N 384.366 -0.321 5 10 GBBE C[C@@H](O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330669619 AUZMNWIMHRSOEA-DGCLKSJQSA-N 378.385 -0.145 5 10 GBBE O=C(O)C[C@@H](NC(=S)NCCNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 585859644 UVWHGWZMFFTJIZ-SNVBAGLBSA-N 384.370 -0.283 5 10 GBBE CN1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 294465633 IJJWZVDQWUCMQB-ZDUSSCGKSA-N 384.414 -0.142 5 10 GBBE COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1[N+](=O)[O-] 416441312 UYRNBFDZHRUEJD-LLVKDONJSA-N 384.414 -0.341 5 10 GBBE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 520332618 NQSGLSBCJDIYFF-LBPRGKRZSA-N 378.385 -0.001 5 10 GBBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[S@@]2=O 593871469 SNNGOOMPLXPXEP-CTRJTCCGSA-N 387.439 -0.005 5 10 GBBE COCCOC1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCOCC1 599321355 ZSDFERBNCMQDPE-UHFFFAOYSA-N 378.407 -0.181 5 10 GBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1 599392626 YAQRHTWRZYTQGG-UHFFFAOYSA-N 376.416 -0.212 5 10 GBBE Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)c(C)c1[N+](=O)[O-] 599501855 YSLGKIADCRZBPH-UHFFFAOYSA-N 392.459 -0.019 5 10 GBBE O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1 1652714844 NYCJWOUGDGPEHU-ZETCQYMHSA-N 394.203 -0.178 5 10 GBBE O=C(Nc1ccc(I)cc1[N+](=O)[O-])[C@@H]1NC[C@H](O)[C@H]1O 2201159830 GDIUBWWOCHIXLA-IVZWLZJFSA-N 393.137 -0.169 5 10 GBBE O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)cc3oc-2c1 77312857 QULZFZMEBOATFS-RSJGLCBASA-N 375.333 -0.529 5 10 GBBE in-vitro CCN1CCOC[C@H]1C(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861407558 PYYBBKNKJGEJFA-ZDUSSCGKSA-N 387.414 -0.175 5 10 GBBE COC(=O)[C@]1(O)CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 1153270762 ZDIPKTPLZOLQNX-INIZCTEOSA-N 379.325 -0.543 5 10 GBBE O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1326064923 LNSIPPHEZPBIBD-MRXNPFEDSA-N 397.409 -0.373 5 10 GBBE NC(=O)[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2cc(N)c([N+](=O)[O-])cn2)C1 2173845060 JBEOMOSIOFDSPT-BQBZGAKWSA-N 376.295 -0.069 5 10 GBBE COCC(=O)NCCNC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 169842766 JTQCVGJOLYGQRJ-UHFFFAOYSA-N 392.368 -0.150 5 10 GBBE O=C(NC(CO)(CO)CO)c1cc([N+](=O)[O-])ccc1I 236491069 FALAFOUEORYSOF-UHFFFAOYSA-N 396.137 -0.355 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@H]3CNC[C@@H]3O)cc2[N+](=O)[O-])CC1 262152198 HULLTRFLHTZYPZ-PBHICJAKSA-N 391.428 -0.427 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2(N3CCOCC3)CCSC2)n1 599218546 VZSGFEUCFQMXQQ-CYBMUJFWSA-N 391.475 -0.186 5 10 GBBE COc1ccc(N=c2[nH]c(N(C)C)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871708488 OFGRIIZSIKVSIC-UHFFFAOYSA-N 390.404 -0.010 5 10 GBBE CN1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1=O 517606548 ZODITPOIIBJCEJ-LBPRGKRZSA-N 390.400 -0.625 5 10 GBBE Cn1ccnc(N2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)c1=O 594759149 ULSNAESCYRQZMS-UHFFFAOYSA-N 380.386 -0.406 5 10 GBBE COc1ccc(C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1[N+](=O)[O-] 1866359134 YQNBCPDKGRKPHQ-MNOVXSKESA-N 388.354 -0.712 5 10 GBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNC(=O)[C@@H]1CCCO1 169842420 OMIQCHWREHBEEO-ZDUSSCGKSA-N 390.352 -0.398 5 10 GBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H](CO)CN1CCOCC1 508339913 AHUKGFKYUISWQO-GFCCVEGCSA-N 394.384 -0.871 5 10 GBBE CS(=O)(=O)c1ccc(NCCNC(=O)[C@]23CNC[C@H]2COC3)c([N+](=O)[O-])c1 593902744 VLOKYXCYGBWVRW-ZBEGNZNMSA-N 398.441 -0.238 5 10 GBBE CN1CCN(c2ccc(C(=O)N[C@@H](CCC(=O)O)C(O)O)cc2[N+](=O)[O-])CC1 1866056002 CTVLXSVHMHNQPQ-LBPRGKRZSA-N 396.400 -0.380 5 10 GBBE O=C(O)CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@@H]1O 2323540757 QWSMJINMVSMERB-STQMWFEESA-N 384.366 -0.321 5 10 GBBE CN(C)S(=O)(=O)N1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 428022555 INXLGWXTHSRJTD-UHFFFAOYSA-N 388.450 -0.133 5 10 GBBE Cn1ncnc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 596426469 AILLZDBVLYGQMJ-UHFFFAOYSA-N 380.386 -0.130 5 10 GBBE Cc1c(C(=O)N[C@H](CC(N)=O)C(=O)NCCCN(C)C)cccc1[N+](=O)[O-] 1861010333 JLZAMKYFYDZWJK-CYBMUJFWSA-N 379.417 -0.055 5 10 GBBE COC(=O)[C@@H](CO)NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1866026347 NQUCMAXLNRXGFU-GFCCVEGCSA-N 379.325 -0.379 5 10 GBBE C[C@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 41239672 ZRVOAFZWFOAMGJ-NSHDSACASA-N 393.443 -0.076 5 10 GBBE Cn1ncc2c(=O)n(CC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cnc21 514777334 BBAWUMNFTZVAAR-UHFFFAOYSA-N 398.383 -0.218 5 10 GBBE O=C(O)[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 565298439 LNFZUQCLEAKXRS-NSHDSACASA-N 377.357 -0.429 5 10 GBBE CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 849373910 LKCSZMFGGQACBM-UHFFFAOYSA-N 392.459 -0.223 5 10 GBBE CCON(C)C(=O)CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1118300986 IXMMQYIKBBKQSF-UHFFFAOYSA-N 382.377 -0.519 5 10 GBBE O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1118394010 WOYKFGKPBVCXET-UONOGXRCSA-N 390.396 -0.538 5 10 GBBE CNC(=O)[C@@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1325808518 IBBDPFRIOQXKAI-LLVKDONJSA-N 376.369 -0.221 5 10 GBBE CN1CCN(CCNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 560601896 LQSLZHLQBFCKOP-UHFFFAOYSA-N 399.473 -0.373 5 10 GBBE CN(C)S(=O)(=O)N1CC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 599501386 NAAKFNISVPJENX-UHFFFAOYSA-N 378.432 -0.495 5 10 GBBE NS(=O)(=O)NC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 599647673 RWQQYIRQRFKISL-UHFFFAOYSA-N 383.430 -0.259 5 10 GBBE C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1295920804 BVHWBPFDASFFSN-GFCCVEGCSA-N 388.384 -0.100 5 10 GBBE O=C(C(=O)N1CC[C@@H](O)C(F)(F)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1346993938 YCUDZYWNBWYCMG-GFCCVEGCSA-N 399.354 -0.133 5 10 GBBE COC(=O)[C@](C)(NC(=O)CN1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 600525286 BIJHEUSYSNPAJE-MRXNPFEDSA-N 399.425 -0.170 5 10 GBBE CCN1CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 619802995 UUJSBYMEAGJYJC-CYBMUJFWSA-N 384.414 -0.048 5 10 GBBE COC[C@@H](OC)C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1557176554 FNLZEGDTNRMIEY-GFCCVEGCSA-N 375.403 -0.007 5 10 GBBE CN(CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 1625853233 QLVGUMLHEJEPSP-CYBMUJFWSA-N 397.457 -0.243 5 10 GBBE O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CCCN1CC2 597625829 RAUHJDCJIQHBOH-INIZCTEOSA-N 390.444 -0.100 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(C2CC2)C1 1149337058 UIZMRNVTGROGNS-SNVBAGLBSA-N 382.398 -0.247 5 10 GBBE O=C(C(=O)N1C[C@H](O)CC(F)(F)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1328571553 LRGIEMYYFPKFJW-GFCCVEGCSA-N 399.354 -0.133 5 10 GBBE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 2358558898 ZDDAKDCXMYUSEH-CWSCBRNRSA-N 385.377 -0.751 5 10 GBBE Cn1nncc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 540602308 ZDILADVVGJRHLU-UHFFFAOYSA-N 380.386 -0.130 5 10 GBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCS(=O)(=O)C[C@H]1CCO 1178394173 DCXDYOYLZYJSPV-CYBMUJFWSA-N 382.398 -0.048 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)nc1 1326470372 HAHGWENHRPIYEC-GFCCVEGCSA-N 377.400 -0.432 5 10 GBBE Cc1c(C(=O)N[C@H](CCC(N)=O)C(=O)NCCCNC=O)cccc1[N+](=O)[O-] 1861010775 NLZZZLSPLAWALU-CYBMUJFWSA-N 393.400 -0.481 5 10 GBBE COc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871706554 IAWMNHWTXDTCDN-SECBINFHSA-N 391.388 -0.651 5 10 GBBE O=C1NC(=O)[C@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]12 1556693856 HGBCDUGJJVRNQL-KXUCPTDWSA-N 392.393 -0.008 5 10 GBBE CC(=O)N1CCN(c2ccc(C(=O)N3C[C@@H](CO)[C@@H](O)C3)cc2[N+](=O)[O-])CC1 1637679011 XSLFVGPKMICSHQ-YOEHRIQHSA-N 392.412 -0.312 5 10 GBBE COC(=O)[C@@](C)(O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 497750581 PHKLHXDGZMOBSN-HNNXBMFYSA-N 387.414 -0.175 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)n1 599302109 FGNBORMJYYWHBC-UHFFFAOYSA-N 393.447 -0.483 5 10 GBBE COc1ccc(C(=O)CNC(=O)CN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 1151256049 VAHOCNNSIFJFHG-UHFFFAOYSA-N 385.398 -0.367 5 10 GBBE O=C1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CO1 1254502779 JCCNNONIKJDKOJ-NSHDSACASA-N 398.397 -0.074 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@]1(O)CCSC1 1294450868 PCJLYPNDYIVICX-CYBMUJFWSA-N 375.428 -0.143 5 10 GBBE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cn1 1635452832 GLQXYPRHNONEQE-ZDUSSCGKSA-N 388.384 -0.089 5 10 GBBE CCc1ccc(N=c2[nH]c(=NCCCO)[nH]c(=NCCCO)[nH]2)cc1[N+](=O)[O-] 1871463877 KPGWEQBXXYNIDA-UHFFFAOYSA-N 391.432 -0.060 5 10 GBBE Cc1c(N=c2[nH]c(N3CC(O)C3)nc(=NCCCO)[nH]2)cccc1[N+](=O)[O-] 1871645544 MRVKKHHADZPAIR-UHFFFAOYSA-N 375.389 -0.349 5 10 GBBE NC[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 595931766 XUMVXKVCXFSSPZ-GJZGRUSLSA-N 398.441 -0.209 5 10 GBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 599205937 LUHCLASBNWFUDX-UHFFFAOYSA-N 386.434 -0.743 5 10 GBBE CONC(=O)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1187783670 SXPOKMBRIRAFEI-UHFFFAOYSA-N 387.418 -0.380 5 10 GBBE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1556920447 SJCJPAJJMYSQQA-IJLUTSLNSA-N 380.405 -0.057 5 10 GBBE CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Oc1ncc([N+](=O)[O-])c(=N)[nH]1 2128137028 OAQYQEXDBBKVSM-CBAPKCEASA-N 389.390 -0.134 5 10 GBBE O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCN(C(=O)Cn2cnnn2)CC1 486197452 XBFZKMPAOLTXSA-UHFFFAOYSA-N 395.326 -0.227 5 10 GBBE C[C@H]1CO[C@H](CO)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 492527659 MIEDNVFOSJXVAD-AAEUAGOBSA-N 387.414 -0.129 5 10 GBBE COc1ccc(NC(=O)COc2nonc2C(=O)NCCO)c([N+](=O)[O-])c1 1872703726 XLYXSMQSLHLSAK-UHFFFAOYSA-N 381.301 -0.274 5 10 GBBE O=C(O)CN(C(=O)C=Cc1cccc([N+](=O)[O-])c1)[C@H]1CS(=O)(=O)C[C@@H]1O 2322775699 PLONMESESZNDHX-STQMWFEESA-N 384.366 -0.321 5 10 GBBE COc1ccc(C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1[N+](=O)[O-] 1866359135 YQNBCPDKGRKPHQ-QWRGUYRKSA-N 388.354 -0.712 5 10 GBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 299547859 VMGANTNUJDHPCN-UHFFFAOYSA-N 394.432 -0.507 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 599507074 NKAGLOVKMYCFEY-LLVKDONJSA-N 379.416 -0.467 5 10 GBBE CN(CCN1CCCS1(=O)=O)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 610618866 GULWFBQGLVSJSP-UHFFFAOYSA-N 398.397 -0.003 5 10 GBBE Cn1cc(/C=C/C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)c(=O)n(C)c1=O 761370386 PDFWIXMNDIAUQZ-ZZXKWVIFSA-N 376.325 -0.590 5 10 GBBE O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN2[C@@H](CNS2(=O)=O)C1 1646398806 MPUINLQOGHWSAF-LBPRGKRZSA-N 379.398 -0.021 5 10 GBBE CN1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 295392862 YREMVEIWAPEGKH-NSHDSACASA-N 384.414 -0.142 5 10 GBBE C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599209830 CZJZXTUHIAWKTD-JTQLQIEISA-N 386.434 -0.698 5 10 GBBE COC(=O)[C@@](C)(NC(=O)CN1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 600539046 WYETUGBBTXSQCQ-KRWDZBQOSA-N 378.385 -0.127 5 10 GBBE NC(=O)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCNC=O 1861030555 VYIYRUDBQKTPSK-CYBMUJFWSA-N 379.373 -0.789 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCN(C)C)c1 1861344613 IYSVPBOPYJFREC-NHYWBVRUSA-N 380.401 -0.143 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCNC(C)=O)c1 1861345112 RCPKGUXEGQWOGU-NHYWBVRUSA-N 394.384 -0.569 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] 599665744 KVRTWRTUJNSGLH-OLZOCXBDSA-N 389.430 -0.416 5 10 GBBE COC(=O)CNC(=O)CCNC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 1867347840 DATOXLAXFRAVLT-JTQLQIEISA-N 380.357 -0.491 5 10 GBBE Cc1sc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1[N+](=O)[O-] 299593559 DDJGQUPCJSURKR-RYUDHWBXSA-N 389.455 -0.120 5 10 GBBE NC(=O)c1cccc([N+](=O)[O-])c1N1CCN(CC(=O)N2CCOCC2)CC1 420577731 BHFMYOARDFVRLD-UHFFFAOYSA-N 377.401 -0.326 5 10 GBBE Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1C 599501367 MKBJJJIKCDZWPA-UHFFFAOYSA-N 392.459 -0.019 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 863554692 FTZFOOONFQVPNA-SNVBAGLBSA-N 391.377 -0.111 5 10 GBBE CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@]3(O)CCOC3)CC2)c([N+](=O)[O-])c1 1141630446 QPEQEXRJBOJQIH-INIZCTEOSA-N 399.425 -0.202 5 10 GBBE C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CN(C)CCN1C 1293745233 PAHZUHQQLYXSCA-RISCZKNCSA-N 389.412 -0.059 5 10 GBBE CN(C)S(=O)(=O)c1ccc(N2CC[C@H]3OCC(=O)N[C@@H]3C2)c([N+](=O)[O-])c1 1655545585 WYVBOLGOVQGCSZ-BXUZGUMPSA-N 384.414 -0.061 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H](Cc1cnc[nH]1)C(=O)O 1859459084 DNAYTIKCHYIXDO-SNVBAGLBSA-N 387.308 -0.274 5 10 GBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 501532816 OOSBXPXCPPZVIN-LSDHHAIUSA-N 399.411 -0.099 5 10 GBBE Cc1cc(C)c(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] 599501623 SLUOLCTZNMSVPA-UHFFFAOYSA-N 392.459 -0.019 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1152437106 ZTIANRKZSCYPFC-XHDPSFHLSA-N 385.398 -0.391 5 10 GBBE CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 1348200046 VMXMBERPYIKKFF-AWEZNQCLSA-N 378.385 -0.302 5 10 GBBE CN(C)CC(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1629092216 KQBUFZPEZMUFAL-UHFFFAOYSA-N 398.441 -0.156 5 10 GBBE C[C@H]1CN(CCO)CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 457097883 LHIKIWPTVXVBBL-LBPRGKRZSA-N 386.430 -0.602 5 10 GBBE CC(=O)NCCNC(=O)NCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 586429098 DSGRXLIXUKLWOF-UHFFFAOYSA-N 382.333 -0.332 5 10 GBBE COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1nn(C)cc1[N+](=O)[O-] 600014480 DSRUXYVFJOFIEN-WCBMZHEXSA-N 385.402 -0.089 5 10 GBBE O=C(C(=O)N1CC[C@@]2(O)C[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1350258478 BFXQWCJLCDBEOQ-YVEFUNNKSA-N 375.385 -0.378 5 10 GBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(C(=O)N2CCOCC2)CC1 1440927200 QNOWXEQFBLCMPJ-UHFFFAOYSA-N 378.385 -0.146 5 10 GBBE COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2[C@@H](CNS2(=O)=O)C1 1620608101 DSHOMSUPYLVRGR-LBPRGKRZSA-N 399.429 -0.234 5 10 GBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 600734826 KVEVZPNGPLGNCW-NSHDSACASA-N 375.407 -0.734 5 10 GBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1150303002 HIVMHTLSKJMRNL-CQSZACIVSA-N 398.441 -0.522 5 10 GBBE COc1cc(OCC(=O)N2CCS(=O)(=O)C[C@@H]2CCO)ccc1[N+](=O)[O-] 1646011954 RTKVDWHUVLCWPZ-NSHDSACASA-N 388.398 -0.010 5 10 GBBE COC(=O)C[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026535 YJFSGKVOIWJKMO-JTQLQIEISA-N 379.281 -0.677 5 10 GBBE O=C(N[C@@H](CS(=O)(=O)N1CC([N+](=O)[O-])C1)C(=O)O)OCc1ccccc1 2244223777 ALNNRSVAUOUREM-LBPRGKRZSA-N 387.370 -0.343 5 10 GBBE CN1CN(C(=O)c2ccc(C(=O)N3CC(=O)N(C)C3)c([N+](=O)[O-])c2)CC1=O 542754148 VDZQZPQRBMBRDJ-UHFFFAOYSA-N 375.341 -0.662 5 10 GBBE CN1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1=O 806188282 RVFZUCAGVYHMFQ-ZDUSSCGKSA-N 389.412 -0.020 5 10 GBBE O=C(O)CN(CC(=O)O)C(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866339805 ACOYSRQPNYDPFW-UHFFFAOYSA-N 393.308 -0.031 5 10 GBBE Cn1c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] 502098571 PXZUMLWJABGXBI-UHFFFAOYSA-N 387.418 -0.732 5 10 GBBE CN1C(=O)C[C@@H](NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C1=O 848048141 ARMZMVKWZWSUOM-SECBINFHSA-N 382.279 -0.093 5 10 GBBE CN(CC(=O)N1CC(NC2COC2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1304208334 KIUBMJQMEDPSCS-UHFFFAOYSA-N 384.414 -0.586 5 10 GBBE O=C(N[C@H](CS(=O)(=O)N1CC([N+](=O)[O-])C1)C(=O)O)OCc1ccccc1 2244223776 ALNNRSVAUOUREM-GFCCVEGCSA-N 387.370 -0.343 5 10 GBBE COc1cc(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1[N+](=O)[O-] 492973320 QURRVRIOPQMBML-LSDHHAIUSA-N 385.442 -0.121 5 10 GBBE CN1CCCN(CCCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 1144226126 HYWRRJJFWIAEKO-UHFFFAOYSA-N 399.473 0.000 5 10 GBBE O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCN3[C@H](CNS3(=O)=O)C2)cc1 1620608603 SPWPUIOTPDDTEY-GFCCVEGCSA-N 390.443 -0.797 5 10 GBBE O=CN1CCN(C(=O)[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 1858424567 SQFGLVQPLWYVPW-ZDUSSCGKSA-N 396.425 -0.094 5 10 GBBE Cn1cc([N+](=O)[O-])c(CN2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)n1 2196043879 JLOVPRHSCDOOMB-HTQZYQBOSA-N 378.311 -0.317 5 10 GBBE NC(=O)CC[C@@H](NC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21)C(=O)O 31845678 LRLONMHQRHNWTO-SECBINFHSA-N 380.313 -0.845 5 10 GBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 273650657 YYRYQGXQHJPMIU-GFCCVEGCSA-N 384.414 -0.341 5 10 GBBE NC(=O)c1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 589557541 AIYSWEKZQJHVRL-UHFFFAOYSA-N 378.389 -0.931 5 10 GBBE O=C(C(=O)N1CC[C@H](O)C(F)(F)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1350182517 SAFIJRBUTSKTSU-LBPRGKRZSA-N 399.354 -0.133 5 10 GBBE C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C 1565834645 YNWBATKVRCWKEF-OCCSQVGLSA-N 399.473 -0.376 5 10 GBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C(=O)NCC(F)F 1570674152 RVPOAMOVROKKCJ-UHFFFAOYSA-N 394.356 -0.287 5 10 GBBE CNC(=O)CN1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 1596936876 UJLNTOQDNRZXQH-UHFFFAOYSA-N 392.416 -0.003 5 10 GBBE Cn1cc(C(=O)N2CCC[C@H](NS(=O)(=O)C3CC3)C2)cc([N+](=O)[O-])c1=O 1891808718 WFANXHAQWGOUNF-NSHDSACASA-N 384.414 -0.020 5 10 GBBE Cn1[nH]c(=N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2S(C)(=O)=O)nc1[N+](=O)[O-] 2345005058 SZXKFGCADYDHOG-IUCAKERBSA-N 390.422 -0.410 5 10 GBBE Cc1cc(C(=O)Nn2c(=O)c(C)nn3c(=O)c4ccccc4nc23)n(CCO)n1 96605885 ZGDVGTRJBMTJPS-UHFFFAOYSA-N 395.379 -0.406 5 10 GBBE O=[N+]([O-])c1cnccc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 747226512 OFYZCFQIVQULEE-LLVKDONJSA-N 390.443 -0.371 5 10 GBBE CN1CCN(C)CC(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1542474804 CKPXVOCRJJRVPJ-UHFFFAOYSA-N 399.473 -0.517 5 10 GBBE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 2358561728 ZDDAKDCXMYUSEH-CWSCBRNRSA-N 385.377 -0.751 5 10 GBBE CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 1136638608 GGWKTYZPSBGTDF-UHFFFAOYSA-N 393.448 -0.372 5 10 GBBE Nc1c(Cl)cc(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1[N+](=O)[O-] 1652501956 XYGYZPLZLHARLT-QMMMGPOBSA-N 375.794 -0.195 5 10 GBBE O=C(Cn1cnc2c(nnn2Cc2ccc([N+](=O)[O-])cc2)c1=O)N1CCOCC1 1870102967 FNHQJGWUCSGVAA-UHFFFAOYSA-N 399.367 -0.197 5 10 GBBE NC(=O)[C@@H]1C[C@@H](NC(=O)C(F)(F)F)CN(c2nccc(N)c2[N+](=O)[O-])C1 2173846840 UKRPUWRAWPEHHQ-RNFRBKRXSA-N 376.295 -0.069 5 10 GBBE C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 414601854 TYJNBETUGSSIJK-OCCSQVGLSA-N 393.400 -0.753 5 10 GBBE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 469919859 XWWJZFJKVWCNEO-MNOVXSKESA-N 388.450 -0.023 5 10 GBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 594386970 PJGHLGNLOFFKRN-NWDGAFQWSA-N 384.414 -0.850 5 10 GBBE COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 1261170954 YKLRDTDDXMKBPS-QGZVFWFLSA-N 376.369 -0.042 5 10 GBBE CS(=O)(=O)c1ccc(NCCNC(=O)CN2CCOCC2)c([N+](=O)[O-])c1 1463823836 WQZDXTVBGMHGLF-UHFFFAOYSA-N 386.430 -0.141 5 10 GBBE NC(=O)CC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCCO 1861129721 KWFXHMBSYAQAKV-PPGNKHEKSA-N 378.385 -0.143 5 10 GBBE CN(C)C(=O)CN1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 46813474 WRFHXOXVQCGJDC-UHFFFAOYSA-N 391.428 -0.053 5 10 GBBE C[C@@H](O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 412931332 UBFYLNGLIGGWJH-RISCZKNCSA-N 387.414 -0.129 5 10 GBBE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 598909840 HCQVNVROCQMUFI-STQMWFEESA-N 390.352 -0.168 5 10 GBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)OC[C@H]2C1 764134791 KGRCBIHENFXIHS-GFCCVEGCSA-N 398.397 -0.074 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C=Cc1cccc([N+](=O)[O-])c1 2330623740 AICPSPASHPGPPE-CVEARBPZSA-N 390.396 -0.178 5 10 GBBE CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1Cl 253493420 UBBCYDPSFMEFFL-PEDHHIEDSA-N 376.749 -0.429 5 10 GBBE Nc1c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] 468702099 JLZOTEZLMBRLRP-UHFFFAOYSA-N 399.429 -0.488 5 10 GBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@]1(CO)COC[C@@H]2CCCN21 1558841108 YZDXDQZWGSMBFV-MAUKXSAKSA-N 392.412 -0.334 5 10 GBBE COC(=O)CNC(=O)CCNC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1867871349 NUWRRHWXFMRIDU-NSHDSACASA-N 394.384 -0.183 5 10 GBBE O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC(F)(F)CN1 262934986 IGQPSBRQMIQITD-LLVKDONJSA-N 378.357 -0.014 5 10 GBBE CN1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 295392860 YREMVEIWAPEGKH-LLVKDONJSA-N 384.414 -0.142 5 10 GBBE COC(=O)CCN1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 599271881 JHMFIVKPFOQQEP-SNVBAGLBSA-N 375.407 -0.414 5 10 GBBE Cn1cc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc([N+](=O)[O-])c1=O 1892046429 LAZACGBZXVFSOL-UHFFFAOYSA-N 384.414 -0.066 5 10 GBBE NC(=O)[C@H]1C[C@H](NC(=O)C(F)(F)F)CN(c2nc(F)ncc2[N+](=O)[O-])C1 2162865840 RJOMYQHYAUAFKA-WDSKDSINSA-N 380.258 -0.117 5 10 GBBE NS(=O)(=O)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 38039743 ABUUSRVROGCIJN-UHFFFAOYSA-N 388.221 -0.076 5 10 GBBE Cn1[nH]c(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1=O 541590313 YPZLKHNUAOWCJO-UHFFFAOYSA-N 382.402 -0.477 5 10 GBBE O=C1NC[C@H](C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 732362622 KOPGWNPVXSQGLP-CYBMUJFWSA-N 377.357 -0.532 5 10 GBBE CN1CC[C@](C)(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 1442198708 HYLNGFUYNSZZDO-OAHLLOKOSA-N 384.414 -0.142 5 10 GBBE NC(=O)C1(O)CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 1470769925 PPCZGDALFDJJLM-UHFFFAOYSA-N 391.121 -0.128 5 10 GBBE O=C(N=c1nc[nH][nH]1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1858627249 KIIKPTNXIMDRKB-UHFFFAOYSA-N 381.374 -0.327 5 10 GBBE COc1ccc(N=c2nc(N3CC(O)C3)[nH]c(N3CC(O)C3)n2)cc1[N+](=O)[O-] 1871735149 SHWUOLOHXWZQBS-UHFFFAOYSA-N 389.372 -0.684 5 10 GBBE NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 1329829897 JLCHBOCERCDJAI-AWEZNQCLSA-N 376.369 -0.418 5 10 GBBE COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 1680941839 KPZRABYGINRNOF-LBPRGKRZSA-N 385.402 -0.353 5 10 GBBE O=C(O)CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CS(=O)(=O)C[C@@H]1O 1866351976 UPMNUNWVSRMMRM-MNOVXSKESA-N 392.773 -0.067 5 10 GBBE CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)O[C@H](CO)[C@@H](O)[C@@H]1O 87492950 UBBCYDPSFMEFFL-KSTCHIGDSA-N 376.749 -0.429 5 10 GBBE CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 599506669 IIOBZRDPQDKWFM-ZDUSSCGKSA-N 393.443 -0.325 5 10 GBBE CNCCOCCN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 600797096 MEAMVXUHERWNLM-UHFFFAOYSA-N 394.432 -0.667 5 10 GBBE Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 267157403 FWZPEASHPDESLR-HUUCEWRRSA-N 383.426 -0.181 5 10 GBBE O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CN([C@@H]2CCOC2)C1 1146285025 RWRDVIVPUZHLCH-CYBMUJFWSA-N 398.441 -0.290 5 10 GBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCNC(C)=O)c1 1861345110 RCPKGUXEGQWOGU-ABAIWWIYSA-N 394.384 -0.569 5 10 GBBE CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867794932 AMCSKGPYHCDRQY-ONGXEEELSA-N 381.389 -0.998 5 10 GBBE CN1C[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1=O 517606547 ZODITPOIIBJCEJ-GFCCVEGCSA-N 390.400 -0.625 5 10 GBBE CC(=O)NCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1C 1861012266 DQSFYKYQXLBJGX-WFASDCNBSA-N 378.385 -0.269 5 10 GBBE NC(=O)C[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCNC=O 2330635130 JZKNGEVLXIMLRY-AWEZNQCLSA-N 391.384 -0.780 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 599506347 GUONTGGTOAEZOY-SECBINFHSA-N 397.406 -0.327 5 10 GBBE CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 599508047 SVFYSTZGPGZEGA-CYBMUJFWSA-N 393.443 -0.325 5 10 GBBE Cc1c(C(=O)N[C@H](CC(N)=O)C(=O)NCCCNC=O)cccc1[N+](=O)[O-] 1861010557 LNEXPWRXRAAVBN-GFCCVEGCSA-N 379.373 -0.871 5 10 GBBE O=C(O)CC[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026017 IYDXMADKFVCEBX-SNVBAGLBSA-N 379.281 -0.375 5 10 GBBE CN(C)C(=O)CN1CCN(C(=O)CN2CCc3ncc([N+](=O)[O-])cc3C2)CC1 542544898 MCEACSJOGFUBMK-UHFFFAOYSA-N 390.444 -0.420 5 10 GBBE CC(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861134783 UWWWXIXQYNLFHK-XMAAMQLLSA-N 390.396 -0.178 5 10 GBBE Cc1c(C(=O)NCCNC(=S)N[C@H](C(=O)O)[C@H](C)O)cccc1[N+](=O)[O-] 585861036 MUMKGJJUQHMBAT-CABZTGNLSA-N 384.414 -0.069 5 10 GBBE CNS(=O)(=O)c1ccc(N2CCO[C@H](CS(C)(=O)=O)C2)c([N+](=O)[O-])c1 1164254538 BZIXNFLFAWCTRL-JTQLQIEISA-N 393.443 -0.247 5 10 GBBE O=[N+]([O-])CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1644898962 FOYHXBIKYYYTIW-UHFFFAOYSA-N 385.446 -0.499 5 10 GBBE CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 1628442330 YDPABRWFLCUYQI-INIZCTEOSA-N 378.385 -0.175 5 10 GBBE CN1CC[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)S1(=O)=O 592633731 CUFLAHPBWHFIMN-AWEZNQCLSA-N 396.425 -0.087 5 10 GBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC(CN2CCOCC2)C1 597681764 GJUIWHNHUMSZSV-UHFFFAOYSA-N 388.380 -0.019 5 10 GBBE COc1ccc(CNC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-] 1117116280 FLUFBCWGZRZHFO-ZDUSSCGKSA-N 378.385 -0.237 5 10 GBBE O=C(C(=O)N1CC[C@@](O)(C(F)F)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1324843149 NNFCREPECFMHBB-INIZCTEOSA-N 399.354 -0.133 5 10 GBBE CN1CCN(C(=O)N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 1628334762 GJNSRFRXZLXSIL-UHFFFAOYSA-N 392.416 -0.732 5 10 GBBE O=CNCCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861132695 ZMFYZRQOIBWKPK-DZEZYYDTSA-N 390.396 -0.178 5 10 GBBE