smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CS(=O)(=O)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 67137799 OEBQACFENRGZNA-UHFFFAOYSA-N 339.333 -0.050 5 20 EBBD NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 266732328 OCFVFJOCTXIENK-JKYUHCHBSA-N 348.319 -0.121 5 20 EBBD COCCNC(=O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 273522816 SLCVABUOPBJMKN-UHFFFAOYSA-N 331.350 -0.223 5 20 EBBD CCOC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280745341 KCBWPOOYBPBZNL-UHFFFAOYSA-N 345.333 -0.448 5 20 EBBD Cc1nn(CCC(=O)NCCS(=O)(=O)N(C)C)c(C)c1[N+](=O)[O-] 291577463 POKCPCCFUILIHC-UHFFFAOYSA-N 347.397 -0.194 5 20 EBBD O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 298357826 UOULBGCVJMJXSA-UHFFFAOYSA-N 345.319 -0.434 5 20 EBBD NS(=O)(=O)C[C@@H]1CCCN1C(=O)N=c1cc[nH]cc1[N+](=O)[O-] 349903499 GYHYVCPMTVXMMC-QMMMGPOBSA-N 329.338 -0.304 5 20 EBBD CNC(=O)CN1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 350004286 CITAUMATLICNKN-UHFFFAOYSA-N 336.352 -0.488 5 20 EBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H](O)CO 355631657 VGNMSKHIGCDQLY-BXKDBHETSA-N 325.321 -0.475 5 20 EBBD CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 357949121 SVWAEBBTHGLAAF-SECBINFHSA-N 345.381 -0.129 5 20 EBBD O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCNCC1 567041334 VATZJUDPPQBFOQ-UHFFFAOYSA-N 348.363 -0.930 5 20 EBBD O=C1C[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)NC(=O)N1 590413232 PITHBEQJBBLXOX-JTQLQIEISA-N 347.331 -0.159 5 20 EBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 598027647 LSWROTHCEQPXNA-RYUDHWBXSA-N 344.345 -0.098 5 20 EBBD CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 603521802 LBWDWFKUEXQFBN-UHFFFAOYSA-N 345.381 -0.503 5 20 EBBD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCCn1cnc([N+](=O)[O-])n1 771617306 BQECFYNUSPVGLF-MRVPVSSYSA-N 349.369 -0.307 5 20 EBBD C[C@H](O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 824678115 KZRZHSCBNYGUHH-VIFPVBQESA-N 347.335 -0.196 5 20 EBBD O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnc2cccnn12 991661520 BYLCUQYUQTYHGA-NXEZZACHSA-N 330.304 -0.665 5 20 EBBD Cn1nnc(CN2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)n1 1000155608 SUTGMHQVTVXKRX-VXGBXAGGSA-N 349.395 -0.264 5 20 EBBD CC(C)n1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1003990784 NFOLZHMZUVKWSL-ZYHUDNBSSA-N 336.352 -0.288 5 20 EBBD COc1cc(C(=O)N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)on1 1055773439 CTOAYJDTHYOXMM-UHFFFAOYSA-N 349.307 -0.074 5 20 EBBD Cc1ccnc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1057466187 UHNNJIBKKMXBPE-GHMZBOCLSA-N 337.336 -0.999 5 20 EBBD Cc1nc(N(C)CCNC(=O)CS(C)(=O)=O)ccc1[N+](=O)[O-] 1099976485 KTNVRSVYQAZDET-UHFFFAOYSA-N 330.366 -0.105 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)CNC(N)=O)CC1 1199274598 SKPIEPRUONAKBU-UHFFFAOYSA-N 339.356 -0.923 5 20 EBBD C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 1257359717 YVKHNZVWZRQWQK-LLVKDONJSA-N 348.359 -0.010 5 20 EBBD C[C@@]1(CO)CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@]1(C)CO 1328804131 UOUDPDAYGRPRET-BETUJISGSA-N 345.377 -0.009 5 20 EBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC1(CO)COC1 1340889868 FSVGEXBDFXTKSO-UHFFFAOYSA-N 349.299 -0.684 5 20 EBBD CC1(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCOCC1 1346097362 LJUOHYHMYGJIPT-UHFFFAOYSA-N 339.352 -0.160 5 20 EBBD Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCCN(CC(=O)O)C2=O)n1 1594548487 OENNHNCSXRENDU-QMMMGPOBSA-N 339.308 -0.476 5 20 EBBD CNS(=O)(=O)c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1 15209337 VIWGRHWCYIGBJC-UHFFFAOYSA-N 344.393 -0.383 5 20 EBBD NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 51163989 UHNVSEKIYQQTKV-QMMMGPOBSA-N 333.297 -0.391 5 20 EBBD CNCCN(C)C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 263276424 YMYQQIHRBLTAIG-UHFFFAOYSA-N 330.366 -0.158 5 20 EBBD Nc1nc(NCCS(=O)(=O)N2CCSCC2)ncc1[N+](=O)[O-] 264557112 TZLCHBSTLQIIJB-UHFFFAOYSA-N 348.410 -0.243 5 20 EBBD CN(C)C(=O)NCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 273209403 PFUFKYKTTNAWQP-UHFFFAOYSA-N 331.354 -0.075 5 20 EBBD COc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)O)cc1[N+](=O)[O-] 275142233 WYWNMKUQXZTVKT-QMMMGPOBSA-N 334.306 -0.283 5 20 EBBD NS(=O)(=O)c1cnn(CC(=O)NCc2ccccc2[N+](=O)[O-])c1 338791975 MFNOHVHBWUZKRO-UHFFFAOYSA-N 339.333 -0.245 5 20 EBBD CNC(=O)[C@H](CO)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 360154056 NTBZSISJQBLCCW-ZETCQYMHSA-N 337.741 -0.367 5 20 EBBD COC(=O)c1cnc(N2CCCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 365054660 ULBLCMJOVUPXJQ-UHFFFAOYSA-N 337.336 -0.226 5 20 EBBD O=C1C[C@@H](CNS(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])CN1 568753773 CPMZCDWMQMQKJM-SSDOTTSWSA-N 343.317 -0.293 5 20 EBBD CN(C)C(=O)[C@](C)(NC(=O)Cn1cnc([N+](=O)[O-])n1)C(F)(F)F 598856463 WPHYDSIGBLWDSD-VIFPVBQESA-N 338.246 -0.288 5 20 EBBD O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)C2CC2)CC1 600230147 OMMNZXDIZBPKSG-UHFFFAOYSA-N 343.365 -0.572 5 20 EBBD CCN1C(=O)[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CCN2C1=O 758323830 ZECZLQLVAQNSQI-JTQLQIEISA-N 348.319 -0.320 5 20 EBBD CC1(Cn2cc(C(=O)OCCn3cnc([N+](=O)[O-])n3)nn2)COC1 760218989 IZVUZLCUPQCXJQ-UHFFFAOYSA-N 337.296 -0.329 5 20 EBBD O=C(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1COCCO1 781841419 QOYHVCNHNZAHIT-QMMMGPOBSA-N 334.281 -0.046 5 20 EBBD CN(Cc1nc(=O)n(C)[nH]1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 985432124 WLDMGNRWULHSND-GHMZBOCLSA-N 338.368 -0.804 5 20 EBBD CCOc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]n1 1002747321 OQTPUQQIRREXJR-MWLCHTKSSA-N 337.336 -0.338 5 20 EBBD Cn1c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cccc1=O 1004205917 YDKJCSXBFLJTNJ-ZYHUDNBSSA-N 334.332 -0.761 5 20 EBBD Cn1nnc(C(=O)NCC2CN(Cc3cccc([N+](=O)[O-])c3)C2)n1 1031904437 BPDMPRXUEWGMRT-UHFFFAOYSA-N 331.336 -0.020 5 20 EBBD Cc1cccc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 1042976764 SMVWYFAEDRLFQF-ZIAGYGMSSA-N 347.371 -0.108 5 20 EBBD Nc1nc(NCCNC(=O)c2cn3c(n2)CCC3)ncc1[N+](=O)[O-] 1094177943 KCMGBTJMYVDSBT-UHFFFAOYSA-N 332.324 -0.048 5 20 EBBD CN(CCN(C)c1ncc([N+](=O)[O-])c(N)n1)C(=O)c1ccc(O)nn1 1105319717 XLRGDFWGCVKAAV-UHFFFAOYSA-N 348.323 -0.329 5 20 EBBD NC(=O)NCC(=O)N1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]2C1 1111286271 BXGUSOQYTTYYLE-AOOOYVTPSA-N 334.336 -0.447 5 20 EBBD Cc1cnc(NCCN(CCO)C(=O)Cn2cncn2)c([N+](=O)[O-])c1 1111473606 VOVMFMGOQMAELV-UHFFFAOYSA-N 349.351 -0.177 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCS(C)(=O)=O 1161095596 YSLVFKOLVPHHHK-UHFFFAOYSA-N 347.397 -0.641 5 20 EBBD Cc1nn(C)c(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1[N+](=O)[O-] 1324289334 GIBSNXCGIJKPCC-SECBINFHSA-N 345.381 -0.257 5 20 EBBD CS(=O)(=O)CCN1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1341371262 VDJYMUCBZDWZTB-UHFFFAOYSA-N 345.381 -0.443 5 20 EBBD C[C@@H](CN)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1589847316 DMBKZENOQUTDTM-ZETCQYMHSA-N 341.353 -0.352 5 20 EBBD C[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591766449 JWKLLENOORZEKX-ZCFIWIBFSA-N 328.310 -0.566 5 20 EBBD O=C(CN1CCC[C@@H](C(=O)O)C1=O)NCCn1cc([N+](=O)[O-])cn1 1608330335 NEDJBTPHGPZGOO-SNVBAGLBSA-N 339.308 -0.769 5 20 EBBD C[C@@H](CN)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 262555931 PNZSFGZIYZHFCW-VIFPVBQESA-N 330.366 -0.416 5 20 EBBD CCOC(=O)CN(CC(N)=O)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 269443331 PTDLSRWZAVHOEV-UHFFFAOYSA-N 341.324 -0.068 5 20 EBBD C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 270756805 KXKJXNDOCZECIH-JTQLQIEISA-N 343.361 -0.192 5 20 EBBD COCCNC(=O)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 272224385 QEQUNIJSRUTERM-UHFFFAOYSA-N 325.277 -0.184 5 20 EBBD COCCOCCOCCCNC(=O)Cn1cc([N+](=O)[O-])cn1 274424980 IYOKQVWMGPTDEH-UHFFFAOYSA-N 330.341 -0.023 5 20 EBBD CNS(=O)(=O)N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 282860520 HJRJPEQNICLVKS-UHFFFAOYSA-N 342.377 -0.254 5 20 EBBD COC[C@H](CO)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 289706211 YGHAWSKZPRUMMN-QMMMGPOBSA-N 348.333 -0.348 5 20 EBBD CC1(C)OCC(CO)(NCCn2cc([N+](=O)[O-])ccc2=O)CO1 291169846 NCBZKIWZQJCKHG-UHFFFAOYSA-N 327.337 -0.140 5 20 EBBD CN(C)S(=O)(=O)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 291564761 OIDXFISICUFNEW-UHFFFAOYSA-N 331.350 -0.019 5 20 EBBD C[C@]1(O)CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 339345399 QQULHSVCPHOZNE-LBPRGKRZSA-N 329.334 -0.161 5 20 EBBD CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@@H]1O 342352362 QBOLJLHFSMFITC-OLZOCXBDSA-N 337.332 -0.067 5 20 EBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 344843274 BRZZIHUYQVFRCX-SNVBAGLBSA-N 347.287 -0.415 5 20 EBBD Cc1nc([N+](=O)[O-])c(-c2noc(CN3CCN(C)C(=O)C3)n2)n1C 350965670 PQPQBVHQJSTYSB-UHFFFAOYSA-N 335.324 -0.039 5 20 EBBD COc1cc(S(=O)(=O)N(C)[C@H]2COC[C@@H]2O)ccc1[N+](=O)[O-] 352337736 KJZLDKXMUOAGFN-QWRGUYRKSA-N 332.334 -0.016 5 20 EBBD CC(C)(CS(C)(=O)=O)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 353333890 WZAXMYRJIDAJKV-UHFFFAOYSA-N 331.350 -0.304 5 20 EBBD NC(=O)c1ccc(CN2CCC[C@H]2CS(N)(=O)=O)c([N+](=O)[O-])c1 357887562 JEXLYOSQRNKELU-NSHDSACASA-N 342.377 -0.053 5 20 EBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NCC(F)(F)CN 418922082 DJJZYXBRBQGIOQ-UHFFFAOYSA-N 346.290 -0.070 5 20 EBBD O=C1CN(CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 442545422 QZGDONKPQKEOFW-UHFFFAOYSA-N 349.347 -0.529 5 20 EBBD COC(=O)CN(CCN1CCOCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] 548937398 DXZPXBULSKMIHW-UHFFFAOYSA-N 341.324 -0.735 5 20 EBBD CCn1cc(S(=O)(=O)N(C)CCN2CCNCC2)c([N+](=O)[O-])n1 592983023 RBYSXYLUHHPOOF-UHFFFAOYSA-N 346.413 -0.663 5 20 EBBD CCOCCOC[C@H](O)CNC(=O)c1ccnc(N)c1[N+](=O)[O-] 594352135 RTLHRLLLOMIHIT-SECBINFHSA-N 328.325 -0.284 5 20 EBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N 598030393 UWXIJSWKKFUTCZ-WCBMZHEXSA-N 329.334 -0.281 5 20 EBBD NS(=O)(=O)c1ccc(N2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])c1 598631392 MTLWFOMEFNXUND-LBPRGKRZSA-N 331.350 -0.434 5 20 EBBD COC(=O)C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)O 776519705 ZEOVNZJLNTWPCF-LURJTMIESA-N 338.319 -0.049 5 20 EBBD O=C(NC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[C@H]1[N+](=O)[O-] 840366634 WSELXPMIELBMHT-VQJPJQAJSA-N 340.336 -0.282 5 20 EBBD O=C(Cc1ncc[nH]1)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 965375689 LZBOFINJNSMGQH-GHMZBOCLSA-N 349.347 -0.943 5 20 EBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)CCn2ccnc2)C1 967945668 HXVCPLXZQTVHTM-CHWSQXEVSA-N 335.364 -0.002 5 20 EBBD O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(O)nn1 978555771 SUXQXRQRDGPWFI-PKIKSRDPSA-N 335.320 -0.528 5 20 EBBD CCn1nc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccc1=O 1001809061 WDLMNPFYJHLJEE-ZYHUDNBSSA-N 349.347 -0.883 5 20 EBBD Cc1cncn1CC(=O)N1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1019014739 CPQXVEUNWAQCEJ-CHWSQXEVSA-N 347.375 -0.082 5 20 EBBD Cc1cc(NC(=O)CN2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 1042705494 UIBCYGYIIOOXJV-GHMZBOCLSA-N 337.336 -0.271 5 20 EBBD Cc1c(CC(=O)NCCN(C)c2ncc([N+](=O)[O-])c(N)n2)cnn1C 1100173900 RCRBHTOHXVDZKT-UHFFFAOYSA-N 348.367 -0.196 5 20 EBBD Cc1cnc(NCCN(C)C(=O)Cn2ncn(C)c2=O)c([N+](=O)[O-])c1 1101850208 OEKBTPUHZGHQET-UHFFFAOYSA-N 349.351 -0.236 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](O)CN1CCCC1=O 1319247847 YVVYLNFLOQKERN-JTQLQIEISA-N 325.325 -0.801 5 20 EBBD 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O=C(NCC1(O)CN(C(=O)c2ccoc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042976581 JNDQNWIQQRWLIG-RKDXNWHRSA-N 343.723 -0.099 5 20 EBBD CC(=O)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1056956625 RYQGDFGFCMOLTP-VXGBXAGGSA-N 329.353 -0.652 5 20 EBBD CC(C)COCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057062967 VRUJDTMXMBSUSZ-CHWSQXEVSA-N 345.396 -0.349 5 20 EBBD O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1cnsn1 1062989728 OPKRXIGADLXICP-VXNVDRBHSA-N 325.350 -0.028 5 20 EBBD CCC(=O)NCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1079500599 YNBNLTBJYNFKHB-GHMZBOCLSA-N 326.353 -0.763 5 20 EBBD CN(CCN(C)c1ncc([N+](=O)[O-])c(N)n1)C(=O)CCn1ccnn1 1105381968 STBGMUMEJLVBOL-UHFFFAOYSA-N 349.355 -0.457 5 20 EBBD CSCC[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(N)=O 1331695773 SQCJCAYBWOSVNP-VIFPVBQESA-N 328.350 -0.520 5 20 EBBD CS(=O)(=O)C[C@H](O)CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1591673825 KQWOWKBKEZOZJX-SSDOTTSWSA-N 342.337 -0.408 5 20 EBBD 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COC(=O)[C@@H]1C[C@H](O)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] 276710603 ZMSZZUZTFXGTAL-LOWVWBTDSA-N 340.332 -0.057 5 20 EBBD CCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1[N+](=O)[O-] 293599219 AQRMNBYQLBSVCW-MRVPVSSYSA-N 345.381 -0.014 5 20 EBBD C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(C)CC1 330782222 YUUZGYJWQJCMTF-GFCCVEGCSA-N 337.380 -0.491 5 20 EBBD CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H]1COC[C@H]1O 342494743 VKIOYUSLWNUTFT-WDEREUQCSA-N 344.345 -0.170 5 20 EBBD C[C@H](CO)N1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 346613255 GYHFOIWEMHTXIS-TZMCWYRMSA-N 327.385 -0.459 5 20 EBBD CCOC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 351973597 CSBFHJGUISMAED-LLVKDONJSA-N 332.334 -0.062 5 20 EBBD CN1CCNC[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 449696183 JSAKWSJAPPKCTK-CQSZACIVSA-N 349.391 -0.266 5 20 EBBD Cc1noc(CN2CCC[C@H](CNS(N)(=O)=O)C2)c1[N+](=O)[O-] 595314173 RHPJJWRURNONIW-SECBINFHSA-N 333.370 -0.104 5 20 EBBD O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(n2cnnn2)CC1 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COCC(COC)N1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 1350600197 ZOMLCKNRXFEPKD-UHFFFAOYSA-N 328.373 -0.625 5 20 EBBD NS(=O)(=O)c1cc(N2CCN3C(=O)NC[C@@H]3C2)cc([N+](=O)[O-])c1 267715557 UGAPTCCGEMGCAB-SNVBAGLBSA-N 341.349 -0.544 5 20 EBBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@@H](O)C[C@H]2CO)cc1 274225706 ZZCUYNXJMZKZCU-RYUDHWBXSA-N 330.362 -0.204 5 20 EBBD NC(=O)[C@]1(O)CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 276536349 VNAJKNIVRRRREY-WFASDCNBSA-N 348.315 -0.464 5 20 EBBD CCS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 356427161 MTTMQUNLYZDTRC-UHFFFAOYSA-N 331.354 -0.564 5 20 EBBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)c1 562644635 DWHUMYMRZBZSJR-QMMMGPOBSA-N 345.333 -0.181 5 20 EBBD O=C(C(=O)N1CCO[C@@H](CO)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 590987087 FCSHLNGTRXYUEO-GFCCVEGCSA-N 349.343 -0.301 5 20 EBBD CN(C)CCN(CC(=O)N(C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 598184601 FFIYPQJVPHWYFT-UHFFFAOYSA-N 326.357 -0.730 5 20 EBBD CS(=O)(=O)C1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598624036 DNQPKKATMSBREJ-UHFFFAOYSA-N 343.365 -0.545 5 20 EBBD CNC(=O)[C@H](O)CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] 798221742 DCHWDOZSDAUCPL-SECBINFHSA-N 331.350 -0.403 5 20 EBBD O=C(O)CN(CCN1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cn1 833248599 UVEXVYPKNORNRZ-UHFFFAOYSA-N 338.320 -0.151 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1CC(CNC(=O)c2ccnn2C)C1 1031576039 RQPRZPDRBMFHPN-UHFFFAOYSA-N 333.352 -0.076 5 20 EBBD O=C(NCC1(O)CN(C(=O)c2ncccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042976530 GQBNWVDUKGMYMB-PSASIEDQSA-N 338.295 -0.811 5 20 EBBD Cc1cncn1CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 1055955292 ZXCJRSLARQWYPR-UHFFFAOYSA-N 346.351 -0.179 5 20 EBBD O=C(N[C@H]1[C@@H]2CN(c3ccnc(O)c3[N+](=O)[O-])C[C@@H]21)c1cnn[nH]1 1060489795 SAVCMINZYFTSQD-MTBHXBHISA-N 331.292 -0.322 5 20 EBBD Cc1ccc(NCCNC(=O)Cn2cnc(C(N)=O)n2)c([N+](=O)[O-])c1 1094180470 LPZVBQSRWRVOID-UHFFFAOYSA-N 347.335 -0.178 5 20 EBBD Cc1ccc(N2CCN(CCNC(=O)C(N)=O)CC2)c([N+](=O)[O-])c1 1096298087 UGQBJVIXZMMVBU-UHFFFAOYSA-N 335.364 -0.373 5 20 EBBD Cc1cc(N(C)CCOCCNC(=O)C(N)=O)ncc1[N+](=O)[O-] 1115250682 VTXOXZKHFBKOTL-UHFFFAOYSA-N 325.325 -0.647 5 20 EBBD CCn1ccc(CC(=O)NCCNCc2c([N+](=O)[O-])ncn2C)n1 1127725670 BLEHDWHLBXIVCE-UHFFFAOYSA-N 335.368 -0.007 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](n2cc(CO)nn2)C1 1344012756 POIGDIFXGLOAIX-NSHDSACASA-N 335.324 -0.261 5 20 EBBD O=[N+]([O-])c1cnn(C[C@@H](O)COc2cccnc2-c2nn[nH]n2)c1 1609604549 VWAOFPOFGDXQIR-SECBINFHSA-N 332.280 -0.194 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)C[C@@H](C(=O)O)C1 1610559097 CIZOQOLOLQSIPI-LLVKDONJSA-N 339.352 -0.035 5 20 EBBD O=C(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCOCC1 16738127 VFBBHITVGIHWTQ-UHFFFAOYSA-N 349.347 -0.503 5 20 EBBD CC(C)C[C@@H]1C(=O)NCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 189828155 VAOAMZJVKXVPHQ-QWHCGFSZSA-N 325.369 -0.001 5 20 EBBD CNS(=O)(=O)c1ccc(N[C@@H]2CC(=O)N(C)C2=O)c([N+](=O)[O-])c1 266132683 OTFBXORWRJQTAK-SECBINFHSA-N 342.333 -0.328 5 20 EBBD O=C(CN1C[C@H](O)C[C@H]1CO)Nc1cc2c(cc1[N+](=O)[O-])OCO2 274205610 VHSZVNPURUAHBU-DTWKUNHWSA-N 339.304 -0.311 5 20 EBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](O)C(=O)O 274876398 BUUVPWYRDGJETA-QMMMGPOBSA-N 334.306 -0.283 5 20 EBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O 275151082 YOTUNNFXSCSABK-VIFPVBQESA-N 345.333 -0.100 5 20 EBBD Cc1nc(NCCn2cc([N+](=O)[O-])cn2)sc1S(N)(=O)=O 338484626 QLPMDTKXHJLOQC-UHFFFAOYSA-N 332.367 0.316 5 20 EBBD CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCNC1=O 340497673 GPLKTGMFAGQMEW-SNVBAGLBSA-N 348.315 -0.333 5 20 EBBD CCOC(=O)[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 351969504 WYPWCXBVUBXRDH-QMMMGPOBSA-N 336.297 -0.064 5 20 EBBD C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C(N)=O)O1 371941727 DKNDTVUDCWESBP-LDYMZIIASA-N 329.334 -0.142 5 20 EBBD O=C(O)c1cccc(S(=O)(=O)N[C@H]2CCCNC2=O)c1[N+](=O)[O-] 593309130 WXYZTPXEXZXJGV-QMMMGPOBSA-N 343.317 -0.150 5 20 EBBD CS(=O)(=O)N1CC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 593491435 KNYUNVZZGDCEDP-QMMMGPOBSA-N 326.338 0.083 5 20 EBBD Cc1nn(C)c(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-] 604383597 ZIZROMRZHXHULX-VIFPVBQESA-N 345.381 -0.209 5 20 EBBD CS(=O)(=O)CCN1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 731663740 SSBAFUYWLAEYOC-UHFFFAOYSA-N 344.397 -0.112 5 20 EBBD O=C1CN(CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CCN1 768888756 CVUFNBMPXBYXLW-UHFFFAOYSA-N 334.379 -0.634 5 20 EBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)N(C)OC 817665459 XGBQSQZYLXRNLI-SECBINFHSA-N 342.356 -0.037 5 20 EBBD COC(=O)C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 821660125 GSMDMJKBFMJKGN-VIFPVBQESA-N 349.307 -0.062 5 20 EBBD O=C(CCn1ccnn1)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 961453618 ZNVPLBPTVROWRU-YVECIDJPSA-N 348.363 -0.750 5 20 EBBD Cc1ncnc(O)c1C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 976477544 KIJCJPMGWXAOKB-GPTQDWHKSA-N 347.331 -0.658 5 20 EBBD O=C(NC1(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1)c1nc[nH]n1 1017186541 HOYJJUOGQTUGPO-GHMZBOCLSA-N 348.363 -0.029 5 20 EBBD O=C(NC1CN(Cc2cccc([N+](=O)[O-])c2)C1)C1CS(=O)(=O)C1 1030368572 QVYDTGAZXMVAKF-UHFFFAOYSA-N 339.373 -0.060 5 20 EBBD O=C(NCC1(O)CN(C(=O)COC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042975778 QLPLNCSCFRYCMZ-VXGBXAGGSA-N 341.364 -0.700 5 20 EBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)CS(=O)(=O)CC)C1 1079746743 GJOLAOXQQIXAAM-GHMZBOCLSA-N 347.393 -0.854 5 20 EBBD O=C1CC(C(=O)NCCNc2ncc([N+](=O)[O-])cc2F)CC(=O)N1 1093741767 SGLKECXREWAJIN-UHFFFAOYSA-N 339.283 -0.290 5 20 EBBD Cn1ccc(CCC(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)n1 1093924893 WZOSMMSRFQOLKK-UHFFFAOYSA-N 334.340 -0.139 5 20 EBBD O=C(Cn1ccc(O)nc1=O)NCCNc1ncccc1[N+](=O)[O-] 1093973719 KZHGZBFULJTSPF-UHFFFAOYSA-N 334.292 -0.520 5 20 EBBD Nc1nc(NC2(CNC(=O)Cn3cnnc3O)CC2)ncc1[N+](=O)[O-] 1110099130 VQWPMXAPAIFEOY-UHFFFAOYSA-N 349.311 -0.975 5 20 EBBD O=C1CN(CC(=O)NCC2(Nc3ncccc3[N+](=O)[O-])CC2)CCN1 1110315688 FPIILVRAKBRSGT-UHFFFAOYSA-N 348.363 -0.518 5 20 EBBD COC(=O)NCC(=O)N(CCO)CCNc1ncccc1[N+](=O)[O-] 1111425660 RQWRPCLKXNSIQZ-UHFFFAOYSA-N 341.324 -0.421 5 20 EBBD CN(CCOCCNC(=O)CC(N)=O)c1ncc([N+](=O)[O-])cc1F 1115199902 CDUBGRZQWJHYJM-UHFFFAOYSA-N 343.315 -0.427 5 20 EBBD CN(C[C@H](O)CN1CCOCC1)c1ncc(C(=O)O)cc1[N+](=O)[O-] 1337926176 PDNODMICVDFXLR-NSHDSACASA-N 340.336 -0.183 5 20 EBBD C[C@H](CCN1CCN(C)CC1)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 1353312747 VCYAJMOPHOIGRH-HIFRSBDPSA-N 340.428 -0.232 5 20 EBBD COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CCO1 1579446713 OJAOETSKUNTUPK-VIFPVBQESA-N 349.307 -0.265 5 20 EBBD C[C@@H](C(=O)NC[C@@H]1CCCO1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 1588984349 ZMXPLBPRFQRRKG-YUMQZZPRSA-N 336.312 -0.172 5 20 EBBD Cc1cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(C(=O)O)cc1[N+](=O)[O-] 1600241116 QUOMINPFBPXUEU-SECBINFHSA-N 348.315 -0.252 5 20 EBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCN1CCNC(=O)C1 272676392 LYAITKSOAKCSFW-UHFFFAOYSA-N 342.377 -0.387 5 20 EBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)O 275157512 ZNRXHWXOHYZVTQ-LDWIPMOCSA-N 334.306 -0.284 5 20 EBBD 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C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1nnnn1C1CC1 859130595 RCRYWYJFUDGNDK-LURJTMIESA-N 342.341 -0.311 5 20 EBBD CN(C)c1cnc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 954239812 QJCKMKVIZFSTGK-ZYHUDNBSSA-N 348.363 -0.509 5 20 EBBD Cc1cc(=O)c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1C 974111316 LIQOWQMYWXFAJC-LSCVPOLPSA-N 348.359 -0.264 5 20 EBBD COc1nccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)n1 976903381 FZXJQVCSDUAYSA-VZSYODPGSA-N 347.331 -0.663 5 20 EBBD COc1nc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)co1 978794676 INYPTHPRZKLMHA-PKIKSRDPSA-N 338.320 -0.027 5 20 EBBD NC(=O)c1ccnc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 1011112689 APUSQXGNXZFRBU-ZYHUDNBSSA-N 347.331 -0.870 5 20 EBBD Cn1cc(C(=O)N[C@H]2C[C@H](NCc3c([N+](=O)[O-])ncn3C)C2)nc1O 1020547479 OCFNILIAKDCQEU-KYZUINATSA-N 349.351 -0.182 5 20 EBBD Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ncccc4[N+](=O)[O-])C[C@@H]32)n1 1060421647 ZYEKULCBAPTKMK-GDGBQDQQSA-N 329.320 -0.017 5 20 EBBD Cn1cc(C[C@H](CO)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 1256740109 OTCCFXHGCHFGFQ-LBPRGKRZSA-N 349.347 -0.543 5 20 EBBD CN(C)[C@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1324314961 CKCKURCPHZEFKA-NSHDSACASA-N 338.368 -0.540 5 20 EBBD COC1(CO)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1326770289 CZEBOYNHAOKBGW-UHFFFAOYSA-N 325.321 -0.244 5 20 EBBD C[C@H](Cn1cccn1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1344757975 OZPNMNXDUGZGJE-SNVBAGLBSA-N 335.324 -0.691 5 20 EBBD NC(=O)N1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1592731284 ZZEOCVMHFPISHU-UHFFFAOYSA-N 333.312 -0.239 5 20 EBBD CN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](CN)C1 162267303 ZPDXBEXZSIMVFH-LBPRGKRZSA-N 345.363 -0.110 5 20 EBBD CCOC(=O)CN(CC(N)=O)C(=O)CCn1cc([N+](=O)[O-])cn1 299722724 XNUUCTBDKDBMHV-UHFFFAOYSA-N 327.297 -0.942 5 20 EBBD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 336899280 ASKLKXVPCZJBTL-YUMQZZPRSA-N 330.370 0.097 5 20 EBBD CNC(=O)[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 359072428 YOCGQDVMRGURSL-NSHDSACASA-N 344.349 -0.807 5 20 EBBD COC(=O)c1cn(C2CN(C(=O)c3cnc(O)c([N+](=O)[O-])c3)C2)nn1 445165117 XQZREEDSHXLDPS-UHFFFAOYSA-N 348.275 -0.229 5 20 EBBD NCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)CO 595902267 QGCOHHLVXMLQMQ-SNVBAGLBSA-N 346.771 -0.199 5 20 EBBD COC(=O)c1ccnc(N2CC[C@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] 598595267 HPCVVUCBJQULKU-ZETCQYMHSA-N 330.322 -0.356 5 20 EBBD COC(=O)C[C@@H](O)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 600468306 JAMGNTMFLQQAMU-SNVBAGLBSA-N 349.303 -0.171 5 20 EBBD CS(=O)(=O)N[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 603628901 GFNCHOMZDPIYAX-MRVPVSSYSA-N 343.365 -0.393 5 20 EBBD Cn1[nH]cnc1=NS(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-] 833062339 PJVHTRFFJLWLLD-UHFFFAOYSA-N 327.278 -0.356 5 20 EBBD O=C(NCCn1cnnn1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 845803601 XSHYVUYIIPPZQM-SECBINFHSA-N 349.307 -0.405 5 20 EBBD CN(C(=O)c1cccc(C(N)=O)n1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 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CN(CC(=O)N1CCOCC1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] 821592750 TUHCYRJPYVLIOL-UHFFFAOYSA-N 348.323 -0.535 5 20 EBBD O=C(Cn1cccn1)N1CC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 944933328 IGNOROJNDOCMNW-CHWSQXEVSA-N 347.375 -0.001 5 20 EBBD CCn1nc(C)c(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 954675111 DAZIGACKQGXGGB-GHMZBOCLSA-N 336.352 -0.446 5 20 EBBD Cn1c(C(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)cccc1=O 976496559 WGLRDRKMZUWETN-HRKIMZGRSA-N 346.343 -0.763 5 20 EBBD Cn1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O 978997958 BDWOAOPHPZLNFG-GWNIPJSYSA-N 348.359 -0.325 5 20 EBBD O=C(Cn1cnc2c1CCCC2)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 996110398 HTXAKNIEHKMBPF-BXUZGUMPSA-N 347.375 -0.246 5 20 EBBD O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cn(C2CCC2)nn1 1002198792 NXOWKDLTJZLNLV-DGCLKSJQSA-N 348.363 -0.144 5 20 EBBD O=C(CCn1ccccc1=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011114185 IBSUHTGIBMPREY-CHWSQXEVSA-N 348.359 -0.426 5 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347.375 -0.246 5 20 EBBD O=C(NCC1(O)CN(C(=O)c2ccccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042976242 YIUJQFSJAAIFLH-ZYHUDNBSSA-N 337.307 -0.206 5 20 EBBD CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC(F)(F)C1 1042976471 CGZAMUDVMOZQBS-RKDXNWHRSA-N 347.318 -0.224 5 20 EBBD CC(=O)N(C)CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 1055185023 RSGREJDNGQWXPN-YVECIDJPSA-N 338.364 -0.953 5 20 EBBD CCSCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057084331 DZFOXMQPFPBGOZ-GHMZBOCLSA-N 333.410 -0.268 5 20 EBBD Cc1ccnc(N(C)CCCNC(=O)Cn2cnnn2)c1[N+](=O)[O-] 1095485315 OMRCCHVVTMHKHA-UHFFFAOYSA-N 334.340 -0.073 5 20 EBBD CN(CCNc1ncccc1[N+](=O)[O-])C(=O)c1cn(CC(N)=O)nn1 1101648401 BIWZTBCVSKPKBP-UHFFFAOYSA-N 348.323 -0.749 5 20 EBBD O=C(Cn1cnnc1O)NC/C=C/CNc1ccnc(O)c1[N+](=O)[O-] 1107133301 DNHIOYNKYRDAKR-OWOJBTEDSA-N 349.307 -0.223 5 20 EBBD CN(CCCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)c1cnn(C)n1 1109478970 MBBXHWXJLUPENX-UHFFFAOYSA-N 335.328 -0.330 5 20 EBBD Nc1nc(NCCN(CCO)C(=O)c2ccon2)ncc1[N+](=O)[O-] 1111438370 URUVGHZTMPPOIF-UHFFFAOYSA-N 337.296 -0.498 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)c1cc(C(N)=O)c[nH]1 1135816049 FZNUCYGJWSTRFG-UHFFFAOYSA-N 335.324 -0.725 5 20 EBBD COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 316445947 VNILGEOSWYOYCD-GZMMTYOYSA-N 332.334 -0.423 5 20 EBBD O=C(c1ccc([N+](=O)[O-])o1)N1CC(S(=O)(=O)N2CCNCC2)C1 424039221 JREQSVQETOOABN-UHFFFAOYSA-N 344.349 -0.753 5 20 EBBD O=C([C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)N1CCNCC1 430613410 WLQJRHNPGQXYTO-ZDUSSCGKSA-N 336.396 -0.065 5 20 EBBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1cn(C[C@H]2CCCN2)nn1 583320682 ICMDGQMBVSTIIG-SNVBAGLBSA-N 334.340 -0.435 5 20 EBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O 588133055 ZBXKMVRZMRMTGK-ZETCQYMHSA-N 343.317 -0.361 5 20 EBBD CS(=O)(=O)N1CC(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 596210871 XQDPTBWNRQZQHD-UHFFFAOYSA-N 328.350 -0.003 5 20 EBBD CCn1cc(S(=O)(=O)N2C[C@@H](C(=O)O)O[C@H](C)C2)c([N+](=O)[O-])n1 600665599 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EBBD O=C(NC1(CO)CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1nc[nH]n1 1112667224 LUSPVJCSLREDOJ-UHFFFAOYSA-N 347.335 -0.131 5 20 EBBD CN(CC(C)(C)CNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CC(N)=O 1113412928 XBKQJMDHYGXAMG-UHFFFAOYSA-N 339.356 -0.261 5 20 EBBD COc1ccc(C(=O)NCCNCc2c([N+](=O)[O-])ncn2C)nn1 1146668511 RLHNZAWLLHNLAZ-UHFFFAOYSA-N 335.324 -0.354 5 20 EBBD CN1CC(=O)N(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)C1=O 1150330751 CSQSIOKVHCYYFU-UHFFFAOYSA-N 349.347 -0.305 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCN1C(=O)CNC1=O 1318649082 FCQRPURQSXBFAP-UHFFFAOYSA-N 338.324 -0.452 5 20 EBBD COc1ccc(CNC(=O)C(=O)NCC[S@@](C)=O)cc1[N+](=O)[O-] 1340871292 JZXHFKGXHMLMIY-HSZRJFAPSA-N 343.361 -0.286 5 20 EBBD CC(=O)NC(C)(C)C(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1753388576 AANJNNSGDFEXEW-UHFFFAOYSA-N 338.368 -0.457 5 20 EBBD CN(CC(=O)N[C@H]1CCNC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 262501112 CMWZUJPDDBQJJH-JTQLQIEISA-N 342.377 -0.307 5 20 EBBD C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C(N)=O)O1 268396575 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CC(C)(C(=O)NN1CCS(=O)(=O)CC1)n1cc([N+](=O)[O-])cn1 862736505 OWFWGCOKJSQALH-UHFFFAOYSA-N 331.354 -0.712 5 20 EBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(C1)CN(C(=O)C1(CF)CC1)C2 965378429 CSBJFAAYBKZXBJ-GHMZBOCLSA-N 341.339 -0.159 5 20 EBBD O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccnc2[nH]cnc12 1002313900 NDKAJJBZRZITGQ-GHMZBOCLSA-N 344.331 -0.189 5 20 EBBD COCCc1noc(CN2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1031662097 UVQWDJSKTHIWJQ-GHMZBOCLSA-N 339.352 -0.528 5 20 EBBD O=C(CN1CCCC1=O)N1CCN(c2ccnc(O)c2[N+](=O)[O-])CC1 1055724923 NBAQERYWULALTR-UHFFFAOYSA-N 349.347 -0.034 5 20 EBBD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC2(CC2)C1 1057545514 BVFYLWULZSXPOA-VXGBXAGGSA-N 325.365 -0.221 5 20 EBBD Cn1cnc(C(=O)NC2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)n1 1057865834 CMJTWXQBEPXLSM-UHFFFAOYSA-N 347.339 -0.506 5 20 EBBD CN(C(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)C1CC1 1072721434 RNHJKLGFWNERQK-CHWSQXEVSA-N 336.392 -0.193 5 20 EBBD 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COC(=O)[C@@](C)(NCC(=O)NCC(=O)O)c1cccc([N+](=O)[O-])c1 1604262232 AWCBYCCUPRRMIK-AWEZNQCLSA-N 339.304 -0.227 5 20 EBBD CCNS(=O)(=O)CCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1609229894 BTOIXVWTEDPNLH-UHFFFAOYSA-N 342.341 -0.479 5 20 EBBD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 269829752 CJTBNIDVKVGNHZ-SNVBAGLBSA-N 345.381 -0.278 5 20 EBBD NC(=O)[C@@]1(O)CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 336884198 AXUMOHKVCFGCGI-OAHLLOKOSA-N 345.315 -0.157 5 20 EBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@](C)(O)CO 440023811 FLZRNIKPWWHLSP-CQSZACIVSA-N 341.320 -0.209 5 20 EBBD CC1(C(N)=O)CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 577517156 LJIUGHHIYQOMQT-UHFFFAOYSA-N 342.333 -0.810 5 20 EBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOC2(CNC2)C1 596581418 YBGQTJBVFYSTCI-NSHDSACASA-N 348.359 -0.086 5 20 EBBD CCOC(=O)[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619495065 KPCXUGVPHVIDNA-MRVPVSSYSA-N 348.333 -0.194 5 20 EBBD CCn1cc(S(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)cn1 749218992 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 51163951 NPGHFSBXQJJCKU-JTQLQIEISA-N 329.334 -0.222 5 20 EBBD NS(=O)(=O)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 53773386 SLAPNYMLBOVAGI-UHFFFAOYSA-N 344.349 -0.881 5 20 EBBD Cc1ccc(S(=O)(=O)NCCNS(C)(=O)=O)c([N+](=O)[O-])c1 107121024 RWZNUSVIZLFCCM-UHFFFAOYSA-N 337.379 -0.269 5 20 EBBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cc1C 274932599 PFEBHBXWVZWAGL-QMMMGPOBSA-N 345.333 -0.181 5 20 EBBD C[C@@H](CNC(=O)C(=O)NCc1ccccc1[N+](=O)[O-])S(N)(=O)=O 359418810 XITUEHFEDAVKJD-QMMMGPOBSA-N 344.349 -0.996 5 20 EBBD NS(=O)(=O)c1cccc(N2CCN3C(=O)OC[C@@H]3C2)c1[N+](=O)[O-] 363994502 FVBXHXNEOATILD-QMMMGPOBSA-N 342.333 -0.117 5 20 EBBD CCC[C@H](O)[C@H](CO)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 412516711 KLUIULMYVDGFPS-STQMWFEESA-N 339.348 -0.037 5 20 EBBD COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 443216167 NGZVFUQRUVMLQO-SNVBAGLBSA-N 343.317 -0.743 5 20 EBBD CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CCN2)c([N+](=O)[O-])c1 444153147 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Cn1cc(N2CC[C@H](NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 1118149404 FYMVAPLJEDAWIR-FZMZJTMJSA-N 335.368 -0.246 5 20 EBBD O=C(NCCC1(CNCCN2CCNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1164494411 IWFHNELDJHBXQH-VXGBXAGGSA-N 339.396 -0.447 5 20 EBBD O=C(O)CN(CCO)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 1332256541 RIKAHWOBNHZFSX-UHFFFAOYSA-N 332.334 -0.154 5 20 EBBD O=C1NC(=O)N2CCN(c3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])C[C@H]12 1609590120 SMQJKLIHSQNYIG-SECBINFHSA-N 344.291 -0.485 5 20 EBBD CC(C)CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O 187047886 UDJKGCCFEIIWBW-CYBMUJFWSA-N 325.369 -0.048 5 20 EBBD C[C@@H]1NC(=O)N(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 272356417 GEFXAMINFQFBGC-QMMMGPOBSA-N 342.333 -0.187 5 20 EBBD CCn1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)OC)c([N+](=O)[O-])n1 339038967 DRHLOHGCHJCTKC-HTQZYQBOSA-N 348.337 -0.892 5 20 EBBD COC(=O)[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H](C)O 344546131 YTIMVTVQWNTTEW-LDYMZIIASA-N 332.334 -0.063 5 20 EBBD NC(=O)CN(CC(N)=O)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 354496068 QDUMQXIYCQVYNJ-UHFFFAOYSA-N 346.303 -0.807 5 20 EBBD COCCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 356705428 UOKKKLLYCHYDMG-UHFFFAOYSA-N 325.325 -0.053 5 20 EBBD C[C@@](O)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)CN1CCOCC1 358364418 ZIIQQMPAZRLCOC-CQSZACIVSA-N 341.368 -0.619 5 20 EBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 358806105 IVOHSKPDPKMTCF-WCBMZHEXSA-N 331.354 -0.476 5 20 EBBD Cc1[nH]nc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c1[N+](=O)[O-] 359794226 BVTOVOPZJUCYIN-CYBMUJFWSA-N 327.341 -0.561 5 20 EBBD C[C@H]1CNCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 422761722 RMZGGAJKVIPSHY-JTQLQIEISA-N 342.377 -0.307 5 20 EBBD O=C(CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)NCCO 448263547 LGYLKCSVSBYPCX-UHFFFAOYSA-N 333.304 -0.381 5 20 EBBD Cc1cc(C(=O)NCC(=O)N2CC(=O)N(C)C(=O)C2)ccc1[N+](=O)[O-] 555554984 DKZFJORQDCYJDV-UHFFFAOYSA-N 348.315 -0.540 5 20 EBBD O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 567835291 HBCHMDVWHIRPQV-SNVBAGLBSA-N 336.352 -0.398 5 20 EBBD COc1cc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)ccc1[N+](=O)[O-] 572135572 DXXURJGUXDLQLV-KCJUWKMLSA-N 332.334 -0.423 5 20 EBBD CNS(=O)(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 596171624 NXRKMSYCYJRRJC-VIFPVBQESA-N 328.350 -0.178 5 20 EBBD CS(=O)(=O)NC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 599420646 HHCZRJZMLGQJSA-UHFFFAOYSA-N 335.363 -0.483 5 20 EBBD COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] 600342332 OGYWEDWAZKGCAT-APPZFPTMSA-N 340.292 -0.115 5 20 EBBD CC(=O)NC[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCO1 819811051 VUMHQTBGKYNLOE-SECBINFHSA-N 348.323 -0.489 5 20 EBBD CC(C)(CCC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O)[N+](=O)[O-] 854839206 FEZAROGVWFLOGT-SNVBAGLBSA-N 336.414 -0.004 5 20 EBBD Cc1[nH]nc(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1O 946705781 SBFCZZATVWNNRI-NXEZZACHSA-N 337.336 -0.190 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNC1CC2(C1)CC(NC(=O)C(N)=O)C2 964774288 DOUJKCHSBZMMMV-UHFFFAOYSA-N 336.352 -0.669 5 20 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1055932238 QDERCTUXQDMVIJ-UHFFFAOYSA-N 348.323 -0.333 5 20 EBBD CN(CCNC(=O)c1cn(C)c(=O)cn1)c1ncccc1[N+](=O)[O-] 1100417978 UTHITUSMCKIIPW-UHFFFAOYSA-N 332.320 -0.050 5 20 EBBD O=C(CNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCc1ccc(F)cc1 1126936884 WASAIMLXFZPKCH-CHWSQXEVSA-N 338.339 -0.187 5 20 EBBD O=C(NC1(CCO)CN(Cc2ccc(CO)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1755331433 KRVHJCBNFLCDAO-HUUCEWRRSA-N 349.387 -0.103 5 20 EBBD CN(C)C(=O)C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828254 KUBYVKVXVUKZTE-UHFFFAOYSA-N 349.347 -0.172 5 20 EBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCNCC1 262481189 TWJRBEOGFHXQSX-UHFFFAOYSA-N 342.377 -0.305 5 20 EBBD CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)N1CCOCC1 267897895 CQMRUFSZUBQEEC-NSHDSACASA-N 339.352 -0.147 5 20 EBBD CCN1CCN(CC(=O)NCCc2cccc([N+](=O)[O-])c2)C(=O)C1=O 270768597 OMYZPVZUKIMGHV-UHFFFAOYSA-N 348.359 -0.056 5 20 EBBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)c1C 274929397 ORVRUOQISFKMHV-QMMMGPOBSA-N 345.333 -0.181 5 20 EBBD O=C(Nn1cn[nH]c1=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 275157080 TYHIOTKXXUNARG-UHFFFAOYSA-N 334.292 -0.300 5 20 EBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H](O)[C@H](O)C1 278543187 AIDNPSAPPGMZRH-XXILOJSOSA-N 325.321 -0.032 5 20 EBBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(CC(N)=O)CC1 341222502 XJABQKKZWGBUTA-UHFFFAOYSA-N 335.364 -0.055 5 20 EBBD COC(=O)c1cc(C)nc(Nc2ccn(CC(N)=O)n2)c1[N+](=O)[O-] 342091145 DTSVRRAOJMWQTG-UHFFFAOYSA-N 334.292 0.510 5 20 EBBD CCCN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1cnc([N+](=O)[O-])n1 344689237 MBCZPVRCDPNSJG-VIFPVBQESA-N 342.381 -0.044 5 20 EBBD O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CS(=O)(=O)CCO1 352015740 RSQSFCLJOYAQAV-GFCCVEGCSA-N 344.345 -0.097 5 20 EBBD COC(=O)Cn1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nn1 356802443 KNRQRNVRJJCWGU-UHFFFAOYSA-N 335.276 -0.005 5 20 EBBD COC(=O)[C@@H]1CN(C)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 413913614 FSIMKZQMLBPFLQ-LLVKDONJSA-N 339.352 -0.255 5 20 EBBD CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](CO)O1 421938858 WOEWEKLYUBJWEG-NSHDSACASA-N 325.321 -0.245 5 20 EBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1CCn1ccc([N+](=O)[O-])n1 439444423 BCXXHJMSPYOPBP-VIFPVBQESA-N 332.338 -0.937 5 20 EBBD N[C@@H]1C[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CCN2C1=O 565841964 BATJTRGVJKRFAY-DGCLKSJQSA-N 334.332 -0.256 5 20 EBBD CC[C@H](C)NC(=O)CN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 618927206 XZENACNQJJJBPZ-JTQLQIEISA-N 338.368 -0.010 5 20 EBBD Nc1c(-c2nn[nH]n2)cnn1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 826394948 GBVOJNIHWPLOSF-UHFFFAOYSA-N 344.247 -0.029 5 20 EBBD CCc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1C 954242947 VXWVMRVFDOHCPV-DGCLKSJQSA-N 335.364 -0.070 5 20 EBBD Cc1nn(C)cc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 974114115 APCAQPIKXHZSNC-YVECIDJPSA-N 335.364 -0.300 5 20 EBBD NC(=O)c1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 991298496 OUINWKUVKRDZRY-HTQZYQBOSA-N 338.345 -0.547 5 20 EBBD O=C1Cc2c(C(=O)NC3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)ccnc2N1 996355563 SQEVFSNOZGLUCK-GHMZBOCLSA-N 345.315 -0.818 5 20 EBBD Cn1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O 1001798318 AQWBRNSNGUIJMZ-VXGBXAGGSA-N 334.332 -0.761 5 20 EBBD Cn1cc(C(=O)N2CCN(c3ccnc(O)c3[N+](=O)[O-])CC2)nn1 1055787001 XJSUWVBRCCGZMD-UHFFFAOYSA-N 333.308 -0.214 5 20 EBBD CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnnc(O)c1 1067389610 HMXHHBFODASCKF-GHMZBOCLSA-N 337.336 -0.232 5 20 EBBD Nc1nc(N[C@H]2C[C@@H](NC(=O)CCn3ccnn3)C2)ncc1[N+](=O)[O-] 1097174699 PCHMHEGQXUPUOL-DTORHVGOSA-N 347.339 -0.292 5 20 EBBD CN(C[C@H](O)CN1CCOCC1)C(=O)c1c([N+](=O)[O-])cnn1C 1116431685 JICPUUPFZYNAPU-JTQLQIEISA-N 327.341 -0.907 5 20 EBBD O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)c1cnn[nH]1 1577932727 WWMJIUFVKPJUDK-NSHDSACASA-N 349.307 -0.316 5 20 EBBD CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)C(=O)O)CC2)n1 1593666097 AGUNLWXXZXXJKV-UHFFFAOYSA-N 325.281 -0.820 5 20 EBBD CN1CCN(CCN(CC(=O)O)Cn2nccc2[N+](=O)[O-])CC1 1598617310 QZLXEOWLDCYCBL-UHFFFAOYSA-N 326.357 -0.617 5 20 EBBD O=C(O)[C@@H]1CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1601833280 FKZGXRYRUPJEAO-VIFPVBQESA-N 343.317 -0.441 5 20 EBBD COC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC 3061419 ZSVGAPHDHYHMJX-JTQLQIEISA-N 346.317 -0.022 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)NS(C)(=O)=O 68187993 SMGHSOBCYJCAQK-UHFFFAOYSA-N 333.370 -0.456 5 20 EBBD C[C@H]1[C@@H](C)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1(=O)=O 247467311 IXOAZMHTVVPEOZ-JFGNBEQYSA-N 332.382 -0.340 5 20 EBBD C[C@@H](CN(C)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1nnn[nH]1 274682468 HPKHTCDVICVHKQ-ZETCQYMHSA-N 341.353 -0.005 5 20 EBBD CCn1cc(S(=O)(=O)N2CCO[C@H](C(=O)OC)C2)c([N+](=O)[O-])n1 339039303 AJCKFHQTGITNNR-QMMMGPOBSA-N 348.337 -0.626 5 20 EBBD CNS(=O)(=O)c1ccc(NCc2nnc(N)o2)c([N+](=O)[O-])c1 346125271 UKFOLOMZOUDLGZ-UHFFFAOYSA-N 328.310 0.080 5 20 EBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@@H](CC(=O)O)C1 570215295 GTFIIPXRLGAXAH-VIFPVBQESA-N 345.333 -0.078 5 20 EBBD CNc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cccc1[N+](=O)[O-] 578881535 AIRCDJBNKDZAOZ-PSASIEDQSA-N 329.334 -0.476 5 20 EBBD O=C(O)CN1CC[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1=O 596011050 VKNMQGGKISQRTC-VIFPVBQESA-N 333.256 -0.124 5 20 EBBD CCN(C(=O)C12CCN(CC1)C2)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 968164552 QDNJFIRGKMVJEV-CHWSQXEVSA-N 336.392 -0.193 5 20 EBBD CCn1cc(CC(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)cn1 976496548 WCFGIPSTQJEOBL-VVSAWPALSA-N 347.375 -0.316 5 20 EBBD NC(=O)c1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 991286737 NRMYWSQQVMKGLP-VXGBXAGGSA-N 332.316 -0.609 5 20 EBBD O=C(NCC1(O)CN(C(=O)C2(C(F)F)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042976599 KUBJOTRQXCWVNL-HTQZYQBOSA-N 333.291 -0.614 5 20 EBBD Nc1nc(N2C[C@H]3[C@H](NC(=O)c4cccnn4)[C@H]3C2)ncc1[N+](=O)[O-] 1060429581 HQRFZWAKTFKXGJ-VROVMSAKSA-N 342.319 -0.378 5 20 EBBD Cc1nn[nH]c1C(=O)N[C@H]1[C@@H]2CN(c3ccnc(O)c3[N+](=O)[O-])C[C@@H]21 1060462310 VTTBUHVAMGNTMZ-VROVMSAKSA-N 345.319 -0.013 5 20 EBBD CCC(=O)NCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1067010870 YWDVYWAFTAKPED-GHMZBOCLSA-N 328.369 -0.515 5 20 EBBD O=C(CN1CC(=O)NC1=O)NCCNCc1ccccc1[N+](=O)[O-] 1135441049 YOVJDCFRSWWGPE-UHFFFAOYSA-N 335.320 -0.648 5 20 EBBD Cc1nn(C)c(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1-c1nn[nH]n1 1606112324 HOLKMAADVRZUMA-UHFFFAOYSA-N 346.311 -0.040 5 20 EBBD NC(=O)[C@@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 50925843 YKLWQZFAJXLWJJ-LBPRGKRZSA-N 332.320 -0.003 5 20 EBBD O=C(CN1CCS(=O)(=O)CC1)Nc1cc([N+](=O)[O-])ccc1O 271613256 VNRUEHPZXIWRBR-UHFFFAOYSA-N 329.334 -0.031 5 20 EBBD Cc1ccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 337699372 AVOMUPGFUCMKNW-SNVBAGLBSA-N 329.334 -0.222 5 20 EBBD CN1C[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O 338667229 LGRBQYOXLQLQTN-LLVKDONJSA-N 349.347 -0.259 5 20 EBBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)C(=O)OC 352068755 JEAGCGYERFWAQM-SNVBAGLBSA-N 332.334 -0.031 5 20 EBBD C[C@@H](N)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 592333049 HDZFTLAMSHJMDI-SECBINFHSA-N 330.366 -0.321 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(Cc2nc[nH]n2)CC1 593858400 FQWIAOQKFULTSZ-UHFFFAOYSA-N 334.340 -0.438 5 20 EBBD Cc1nn[nH]c1C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 954127317 LJOQEMPRPCCPTH-GHMZBOCLSA-N 336.352 -0.159 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cn3cccnc3n2)C1 954240740 WTWGFUSUCPVUBC-ZYHUDNBSSA-N 344.331 -0.323 5 20 EBBD O=C(CCn1cncn1)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 961018079 HPBJLHBPIQMVTI-YVECIDJPSA-N 348.363 -0.750 5 20 EBBD O=C(NC1CN(C(=O)Cn2cc(C3CC3)nn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991296558 RNFNYHOJIFSZCB-ZYHUDNBSSA-N 334.336 -0.852 5 20 EBBD O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cccc2ncnn12 1002994478 XVDPCSHJKSISDE-ZYHUDNBSSA-N 344.331 -0.417 5 20 EBBD Cc1ncccc1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057544896 QHDGEMKBGPBOQO-CHWSQXEVSA-N 336.348 -0.394 5 20 EBBD O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1)c1cnco1 1070114293 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O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 17637391 NLHNBBNQTBYKPN-SNVBAGLBSA-N 341.345 -0.372 5 20 EBBD NS(=O)(=O)CCOCCNC(=O)CCc1cccc([N+](=O)[O-])c1 288122474 CVUJRXNTTGDWOL-UHFFFAOYSA-N 345.377 -0.051 5 20 EBBD O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 343374755 ULIAEECKKJONLU-JTQLQIEISA-N 344.287 0.522 5 20 EBBD Cc1nc(=NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n(C)[nH]1 348256125 RKNVVKZAABWYCI-UHFFFAOYSA-N 346.303 -0.182 5 20 EBBD COc1n[nH]c(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 352643302 ASPPAZHXZQJFBV-UHFFFAOYSA-N 346.259 -0.044 5 20 EBBD O=C(Nc1ccn(CCN2CCOCC2)n1)c1cc([N+](=O)[O-])n[nH]1 352691972 DPJKOACRLFCRFN-UHFFFAOYSA-N 335.324 0.099 5 20 EBBD CNS(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 367168205 OHENSYVTGYQPCX-RKDXNWHRSA-N 331.350 -0.565 5 20 EBBD CCn1cc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])n1 447940960 JOUQOASORCWLCG-UHFFFAOYSA-N 329.338 -0.236 5 20 EBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1[C@@H]2CNC[C@@H]21 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O=C1NC(=O)C2(CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)N1 1607050968 ZYDIPHCRFBLBHJ-UHFFFAOYSA-N 330.264 -0.827 5 20 EBBD CN(C1CNC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1609271419 QVWBBMZTPXSZMB-UHFFFAOYSA-N 339.337 -0.633 5 20 EBBD C[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)N(C)C 53360891 OEMIJMREIDLPNB-MRVPVSSYSA-N 348.315 -0.216 5 20 EBBD COc1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 262054386 DEVCASLYBAIZOS-JTQLQIEISA-N 331.350 -0.130 5 20 EBBD Cc1c(C(=O)N[C@@H]2CCNC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 269130823 KEQCBHLHJCIZIE-MRVPVSSYSA-N 328.350 -0.358 5 20 EBBD COC[C@@H](O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 269789955 MSZJLCUKKKYVEZ-QMMMGPOBSA-N 348.333 -0.348 5 20 EBBD CN(CC(C)(CO)CO)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] 273527143 YESHMWMHDKREEM-UHFFFAOYSA-N 333.366 -0.331 5 20 EBBD CCN(CC(N)=O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 276703551 OETUHVWBXSSSOP-UHFFFAOYSA-N 345.333 -0.123 5 20 EBBD CS(=O)(=O)NC(=O)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 277323154 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CNC(=O)[C@H](CO)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C 358891610 RFWNGKSPCGDTNL-JTQLQIEISA-N 331.350 -0.403 5 20 EBBD Nc1nc(N2CCC(O)(CN3CCOCC3)CC2)ncc1[N+](=O)[O-] 370676228 JHTKXVINBLINBA-UHFFFAOYSA-N 338.368 -0.370 5 20 EBBD COCCN([C@@H](C)C(=O)O)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600653531 KQLOLDVKOSQXKJ-ZETCQYMHSA-N 336.326 -0.562 5 20 EBBD CNS(=O)(=O)CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 600665632 ONHMNCPZCRDPHQ-UHFFFAOYSA-N 333.370 -0.418 5 20 EBBD CSc1ccc(C(=O)NS(=O)(=O)CC(N)=O)cc1[N+](=O)[O-] 766925720 SELHWNDAIDFHRX-UHFFFAOYSA-N 333.347 -0.138 5 20 EBBD COc1ccc([N+](=O)[O-])cc1C(=O)NCCC(=O)NS(C)(=O)=O 800552061 ZDSUZWGJLDZCEM-UHFFFAOYSA-N 345.333 -0.201 5 20 EBBD Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)nn1 1001810853 UJEZTWMVOGXKQV-CHWSQXEVSA-N 333.348 -0.053 5 20 EBBD Cn1nccc1CN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 1053251795 DAKXSSWFVRLWJP-CHWSQXEVSA-N 335.364 -0.502 5 20 EBBD O=C(CNC(=O)C1CC1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1062989466 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O=[N+]([O-])c1cnn(C[C@@H](O)CNCCCN2CCC(O)CC2)c1 1326232268 OKIHGZBCPXSSTP-AWEZNQCLSA-N 327.385 -0.411 5 20 EBBD CS(=O)(=O)c1cc(C(=O)NCCCC(N)=O)cc([N+](=O)[O-])c1 147017906 FWUSLJUJVMMKPT-UHFFFAOYSA-N 329.334 -0.006 5 20 EBBD CS(=O)(=O)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 277701992 RLQZTTGBWMDWBJ-UHFFFAOYSA-N 331.306 -0.504 5 20 EBBD CN(C)S(=O)(=O)NCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 288114953 CEMJZWUAUQAVTF-UHFFFAOYSA-N 330.366 -0.351 5 20 EBBD O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](c3nc(O)n[nH]3)C2)c1 344061224 MNLQALUKZXRTKW-GXSJLCMTSA-N 337.340 -0.145 5 20 EBBD COC(=O)CCN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1=O 346920449 XDIOJDOKCAGUQJ-JTQLQIEISA-N 339.308 -0.929 5 20 EBBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C(=O)CO)CC1 348394750 RVDRYYYJTFNBSW-UHFFFAOYSA-N 336.348 -0.022 5 20 EBBD CNC(=O)[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CCO1 368079011 MOQUCJODKYUHSH-JTQLQIEISA-N 325.325 -0.537 5 20 EBBD NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 440268891 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COC(=O)c1cn(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])nn1 566570530 KXFMSJKLXNKDAT-UHFFFAOYSA-N 335.280 -0.620 5 20 EBBD COC[C@@H](O)CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 572993134 OWKSZCMAYRHVLA-JTQLQIEISA-N 333.366 -0.530 5 20 EBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc([N+](=O)[O-])cnc2O)C1 592951609 LWEOJKKDKMOFTF-APPZFPTMSA-N 325.277 -0.309 5 20 EBBD Cc1noc(CN2CCN(S(=O)(=O)N(C)C)CC2)c1[N+](=O)[O-] 595289990 GQWFIDFIHQXZPW-UHFFFAOYSA-N 333.370 -0.185 5 20 EBBD N[C@H]1C[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 595928620 NBJPAHPSWWTJAD-MGCOHNPYSA-N 342.377 -0.273 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)n1 599288743 ODPIZBLMYHAOPA-NRPADANISA-N 343.365 -0.397 5 20 EBBD COC(=O)C[C@H](O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 599463293 UKCYOYQJOUXGEQ-NSHDSACASA-N 332.334 -0.062 5 20 EBBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCC(=O)NC1CC1 604517700 GEUHPELQLRZOMT-UHFFFAOYSA-N 346.299 -0.414 5 20 EBBD CC(C)(CNC(=O)c1cc([N+](=O)[O-])cnc1O)NS(C)(=O)=O 609481011 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CNS(=O)(=O)c1ccc(N(C)[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 340079627 JJQSYJKACMNCSW-SNVBAGLBSA-N 328.350 -0.172 5 20 EBBD O=C(CO)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 340372783 XRMUJRZINSYERJ-CYBMUJFWSA-N 339.348 -0.529 5 20 EBBD CCn1cc(S(=O)(=O)N2CC[C@@H](NC(=O)NC)C2)c([N+](=O)[O-])n1 341975301 XZXSJRVIQLZJNY-MRVPVSSYSA-N 346.369 -0.497 5 20 EBBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1C[C@@H](O)C[C@@H]1CO 351576934 QAMMAUJYJOUVRC-MNOVXSKESA-N 327.268 -0.374 5 20 EBBD Cn1cnn(CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1=O 359644861 FNINIJRXEXYJLX-UHFFFAOYSA-N 333.304 -0.089 5 20 EBBD COc1cc(OCC(=O)N2C[C@@H](O)C[C@@H]2CO)ccc1[N+](=O)[O-] 366699118 URPWJJCRDGGQNS-ZJUUUORDSA-N 326.305 -0.064 5 20 EBBD COc1cc(S(=O)(=O)NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] 420481485 RDTJHPZYJSFEKL-SECBINFHSA-N 331.350 -0.130 5 20 EBBD Cn1nc2c(cc1=O)CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)CC2 426952418 AFEOODQMNCYMNP-UHFFFAOYSA-N 347.335 -0.347 5 20 EBBD CS(=O)(=O)Cc1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2O)o[nH]1 436988506 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CCc1[nH]nc(C(=O)NCCC(=O)N2CCOCC2)c1[N+](=O)[O-] 264623036 UYGJMLIJLUMXES-UHFFFAOYSA-N 325.325 -0.141 5 20 EBBD CCc1nn(C)c(Nc2cnn(CC(=O)NCCO)c2)c1[N+](=O)[O-] 288844157 JYLYKOYALHUHCS-UHFFFAOYSA-N 337.340 -0.061 5 20 EBBD NC(=O)N[C@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 342849473 SUSVRUYYGXUKBG-JTQLQIEISA-N 335.320 -0.406 5 20 EBBD COC(=O)[C@@H](O)CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 345213888 WMWCQSYTOZTBNS-KWQFWETISA-N 339.304 -0.637 5 20 EBBD COc1ccc(NC(=O)C(=O)N(C)[C@H]2COC[C@H]2O)cc1[N+](=O)[O-] 356924042 QAOCPWHYGMBLJI-WDEREUQCSA-N 339.304 -0.240 5 20 EBBD CCn1cc(S(=O)(=O)NC[C@H]2CCCC(=O)N2)c([N+](=O)[O-])n1 433439786 NHERNDUZZBMZMP-MRVPVSSYSA-N 331.354 -0.242 5 20 EBBD CN1CCN(C(=O)CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 459495972 NISHBLPFTXBRLH-UHFFFAOYSA-N 348.407 -0.114 5 20 EBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCS(N)(=O)=O 488962559 CPMRAJLTDOQMBM-QMMMGPOBSA-N 348.385 -0.768 5 20 EBBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC(N2CC[C@@H](O)C2)C1 593248215 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CN1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 569794965 VCQIFLQUQWHKSS-CQSZACIVSA-N 349.391 -0.645 5 20 EBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCOC[C@H](O)C1 594777559 WCVNKEFWONBMDB-SECBINFHSA-N 332.334 -0.015 5 20 EBBD CN1CC[C@H](C(=O)NS(=O)(=O)c2cc([N+](=O)[O-])cs2)C1=O 774083657 OTUWHIOWDZYLOS-SSDOTTSWSA-N 333.347 -0.061 5 20 EBBD CCOC(=O)[C@@H](CO)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 782759655 MHELJYLLDTVDAG-SNVBAGLBSA-N 340.288 -0.174 5 20 EBBD C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])S(N)(=O)=O 824435817 PJBUYOLYBOSYHI-YFKPBYRVSA-N 328.314 -0.741 5 20 EBBD Cn1cc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)cc1C(=O)O 833054149 OCWNOFNADTWOJY-UHFFFAOYSA-N 343.321 -0.194 5 20 EBBD CCn1cc(S(=O)(=O)Nc2ccn(CC(=O)O)n2)c([N+](=O)[O-])n1 833683099 ISXSFBOTTCIVHH-UHFFFAOYSA-N 344.309 -0.107 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 841249358 MOOPDDJTAXVGRL-GWOFURMSSA-N 340.336 -0.186 5 20 EBBD O=C(CCN1C(=O)CCNC1=S)NCCn1cc([N+](=O)[O-])cn1 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Nc1nc(N2CC=C(CNC(=O)c3cnon3)CC2)ncc1[N+](=O)[O-] 1069822185 KXPDWTDZWWPAGC-UHFFFAOYSA-N 346.307 -0.084 5 20 EBBD CCS(=O)(=O)NCC(=O)NCCCNc1ncccc1[N+](=O)[O-] 1094842274 XZKGONPTNQLYDD-UHFFFAOYSA-N 345.381 -0.153 5 20 EBBD Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)CN2CCNC(=O)C2)c1 1100260967 FOUKJHOLOJNETL-UHFFFAOYSA-N 349.391 -0.113 5 20 EBBD CCS(=O)(=O)NCCOC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1116347481 MMRGOCWREZBKDL-UHFFFAOYSA-N 333.322 -0.761 5 20 EBBD COCC(=O)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1324267456 RHRLSLPOPOSGME-UHFFFAOYSA-N 338.320 -0.926 5 20 EBBD COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1c([N+](=O)[O-])c(C)nn1C 1324912052 OXUHFOGMFGBEHV-SECBINFHSA-N 336.308 -0.195 5 20 EBBD CCOC(=O)[C@](C)(O)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] 1590751192 OSFWZNHGFYRKPR-GFCCVEGCSA-N 337.296 -0.104 5 20 EBBD NC(=O)C(=O)NC1(CNCc2cccc([N+](=O)[O-])c2)CCOCC1 1755097525 KXKDIYCCLQSLJI-UHFFFAOYSA-N 336.348 -0.165 5 20 EBBD CN(C)C(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 7144559 DGZSZUVKZYLPHG-UHFFFAOYSA-N 337.288 -0.048 5 20 EBBD CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CS(C)(=O)=O 247345905 GJAOUAGOWLYJSM-ZYHUDNBSSA-N 334.398 -0.093 5 20 EBBD CC(C)NS(=O)(=O)NCCNC(=O)c1cnc(O)c([N+](=O)[O-])c1 277518574 KJPJKEBRXGAZSF-UHFFFAOYSA-N 347.353 -0.742 5 20 EBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(=O)NCCO 290365084 AEGUHZZRJWMWDD-UHFFFAOYSA-N 338.320 -0.680 5 20 EBBD CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cc([N+](=O)[O-])cnc1O 295739463 ZEUGDNADBXYHIC-ZETCQYMHSA-N 332.338 -0.247 5 20 EBBD CCn1cc(S(=O)(=O)N2CCN(CCOC)CC2)c([N+](=O)[O-])n1 339044200 OTGUOZJMWQTBEU-UHFFFAOYSA-N 347.397 -0.236 5 20 EBBD C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 362590075 ITIPEDFGJJCRGN-MRVPVSSYSA-N 345.333 -0.148 5 20 EBBD O=C(O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCS1(=O)=O 424246040 PJFLNSCKLGMUNQ-SNVBAGLBSA-N 344.301 -0.376 5 20 EBBD O=C(c1ccc(N2C[C@@H](O)[C@H](O)C2)c([N+](=O)[O-])c1)N1CCOCC1 433803204 MBYPLEHMOBSHIA-ZIAGYGMSSA-N 337.332 -0.391 5 20 EBBD O=[N+]([O-])c1cccc(CS(=O)(=O)N(CCO)CCOCCO)c1 565727539 NGYMHYCDGTVNFW-UHFFFAOYSA-N 348.377 -0.272 5 20 EBBD CNc1nccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)c1[N+](=O)[O-] 573980914 VFZACWSJLJAGRM-IONNQARKSA-N 328.350 0.194 5 20 EBBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCS(=O)(=O)CC1 754017243 IZJTVVIVHFNFBB-UHFFFAOYSA-N 335.363 -0.523 5 20 EBBD O=C(NC1CCN(C(=O)C2=COCCO2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 943864888 YFQWRBJGODIFLS-GHMZBOCLSA-N 325.321 -0.353 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)c2cncnc2O)CC1 953928680 JILLLGOERFAATN-ZYHUDNBSSA-N 349.347 -0.090 5 20 EBBD CN(C(=O)Cn1cc(C2CC2)nn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954508299 FHUXKCOVOPUVCQ-DGCLKSJQSA-N 348.363 -0.510 5 20 EBBD Cc1csc(=O)n1CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991288344 YQHGKMUAMCCETJ-NXEZZACHSA-N 340.361 -0.790 5 20 EBBD O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnn2ccccc12 997759951 PVACDBPSTQDSDO-ZWNOBZJWSA-N 329.316 -0.060 5 20 EBBD O=C1CCN(C(=O)C2CC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN1 1001708347 MUVMERIAUJKUDB-VXGBXAGGSA-N 338.364 -0.761 5 20 EBBD O=C(Cn1cncn1)N1CC2(CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1010875054 FBFODEUZCCSXKH-VXGBXAGGSA-N 348.363 -0.606 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1CC(CNC(=O)c2cncnc2)C1 1031627511 LMPCRJDLJNQJOR-UHFFFAOYSA-N 331.336 -0.020 5 20 EBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2CN(Cc3nnnn3C3CC3)C[C@@H]2C1 1048814376 IIUFMSYLIXVRBN-LYIQGSDWSA-N 347.379 -0.437 5 20 EBBD CN(C)CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1070238834 HUQHDVPVSYHXLG-VXGBXAGGSA-N 342.396 -0.615 5 20 EBBD CN(CCNC(=O)c1nccnc1N)c1ncc([N+](=O)[O-])c(N)n1 1099986120 SLHVGUPMJSOXLP-UHFFFAOYSA-N 333.312 -0.795 5 20 EBBD CCN(CCNC(=O)c1cnnc(O)c1)c1ncc([N+](=O)[O-])c(N)n1 1100641099 NZIPYNPTXCILCF-UHFFFAOYSA-N 348.323 -0.281 5 20 EBBD CNS(=O)(=O)CC(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] 1105407225 MFXIOPXGELKCDF-UHFFFAOYSA-N 345.381 -0.566 5 20 EBBD Nc1nc(NC/C=C/CNC(=O)CCc2cnn[nH]2)ncc1[N+](=O)[O-] 1107529659 PMSCNUOBDXGFLH-OWOJBTEDSA-N 347.339 -0.198 5 20 EBBD NC(=O)CC(=O)NC1(CO)CCN(c2ccccc2[N+](=O)[O-])CC1 1112657179 UOSROVJXHFXPOP-UHFFFAOYSA-N 336.348 -0.082 5 20 EBBD COCCN1CCN(c2nnc(-c3n[nH]cc3[N+](=O)[O-])n2C)CC1 1525482994 DHIAZJDHTVOPKC-UHFFFAOYSA-N 336.356 -0.118 5 20 EBBD Nc1c([N+](=O)[O-])ccc(NC[C@@H]2CN3CCN2CC3)c1-c1nn[nH]n1 1606451475 KRFCIGAZDFYABN-SECBINFHSA-N 345.367 -0.231 5 20 EBBD COc1nccc(C(=O)N(C)CCNCc2c([N+](=O)[O-])ncn2C)n1 1753211206 DCIYTSZWZUEFHB-UHFFFAOYSA-N 349.351 -0.011 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@@H](O)CN1CCOCC1 345010365 NSTHLJBKUHNFEO-GFCCVEGCSA-N 341.368 -0.749 5 20 EBBD O=C(O)[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O 424246719 QFPDKUJETRAQIV-NSHDSACASA-N 342.329 -0.153 5 20 EBBD Cn1cc(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 428543119 GXNLAEMPONNRQD-UHFFFAOYSA-N 340.321 -0.360 5 20 EBBD Cn1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 490658192 PODMNZIZHPMOIU-UHFFFAOYSA-N 347.335 -0.115 5 20 EBBD O=C(c1cc([N+](=O)[O-])cnc1O)N1CCC[C@H](N2CCNCC2=O)C1 582904290 KGYYYYOOLAKBLK-JTQLQIEISA-N 349.347 -0.268 5 20 EBBD O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCc2nnnn2CC1 594785226 LLRUDPCBULKMQA-QMMMGPOBSA-N 339.337 -0.340 5 20 EBBD Cn1nnnc1CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O 611763111 UJOFMCVZUKWQHZ-UHFFFAOYSA-N 327.326 -0.580 5 20 EBBD Cn1nnc(CNC2CC3(C2)CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n1 963789321 XKILWARWEKOWCP-GLVIPLPLSA-N 335.368 -0.608 5 20 EBBD COCc1noc(CN2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 981136698 GCXYBPZCIWCOIN-GHMZBOCLSA-N 339.352 -0.085 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2[C@H](NC(=O)c3cnn[nH]3)[C@H]2C1 1025850757 XAGWTIHJOPIYAT-VROVMSAKSA-N 332.324 -0.693 5 20 EBBD Cc1nccnc1CN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 1053253268 DDPOYIZFWNXHEB-TZMCWYRMSA-N 347.375 -0.137 5 20 EBBD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[C@@H]2C[C@@H]2C1 1057545061 TYGAOFXZAPGYPE-KSSYENDESA-N 325.365 -0.365 5 20 EBBD CCS(=O)(=O)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1067391996 VLDRXNDANVGUDE-GHMZBOCLSA-N 349.409 -0.607 5 20 EBBD O=C(CCCF)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1080945048 NBZADUDVUXJOQF-GHMZBOCLSA-N 331.344 -0.129 5 20 EBBD Cn1cc(C(=O)NC[C@H]2C[C@H](NCc3c([N+](=O)[O-])ncn3C)C2)nn1 1086354808 ZHTHGYKIKXQXBV-MGCOHNPYSA-N 348.367 -0.245 5 20 EBBD Cc1nc(NCCNC(=O)c2cn(C)c(=O)nc2O)ccc1[N+](=O)[O-] 1093650072 FWCDSVZXYLWHAD-UHFFFAOYSA-N 348.319 -0.061 5 20 EBBD NC(=O)c1ncn(CC(=O)NCCCNc2ccccc2[N+](=O)[O-])n1 1094837448 RIOFLSKBLIWMAP-UHFFFAOYSA-N 347.335 -0.096 5 20 EBBD CC(C)(C(N)=O)C(=O)N(CCO)CCNc1ccc([N+](=O)[O-])cn1 1111519638 XDQIUJQQXGBABT-UHFFFAOYSA-N 339.352 -0.266 5 20 EBBD NC(=O)NCC(=O)N[C@H]1C[C@H](CNc2ccnc(O)c2[N+](=O)[O-])C1 1114735759 FQHYHRJVEIEINQ-ZKCHVHJHSA-N 338.324 -0.330 5 20 EBBD O=C(CN1C(=O)CNC1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1115841463 HRTLWVIJVXAAOG-UHFFFAOYSA-N 348.319 -0.810 5 20 EBBD C[C@@H](c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C)[N+](=O)[O-] 1122955792 LXLSIELJRYQSKY-VHSXEESVSA-N 346.413 -0.082 5 20 EBBD CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1323905701 ODKQDRAEACAICC-CMPLNLGQSA-N 339.352 -0.473 5 20 EBBD Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)O 1600748250 GVRTXKFVCLZFCX-SECBINFHSA-N 339.308 -0.708 5 20 EBBD O=C(NS(=O)(=O)c1ccccc1-c1nn[nH]n1)[C@@H]1C[C@H]1[N+](=O)[O-] 1609560517 RYBASDSAQPZOMS-HTQZYQBOSA-N 338.305 -0.663 5 20 EBBD COC(=O)CN(CC(=O)O)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 1610183743 CKKATHNQSCZXDU-UHFFFAOYSA-N 346.317 -0.016 5 20 EBBD COC(=O)[C@H](CO)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 275227502 SKWKWPNBNPKGQF-VIFPVBQESA-N 328.277 -0.368 5 20 EBBD CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 281060445 YOYKNCKSGHTJID-VIFPVBQESA-N 331.350 -0.240 5 20 EBBD O=C1N[C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2CO1 281245682 GLIMCGQHNOKUIU-JLLWLGSASA-N 325.325 -0.418 5 20 EBBD NC(=O)[C@@H](CO)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 341726380 DTPAMWISFDEPDH-SSDOTTSWSA-N 332.110 -0.067 5 20 EBBD CCn1cc(S(=O)(=O)NC[C@@H]2CCCC(=O)N2)c([N+](=O)[O-])n1 433439787 NHERNDUZZBMZMP-QMMMGPOBSA-N 331.354 -0.242 5 20 EBBD CNc1nccc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1[N+](=O)[O-] 553210772 PMJCINUTILQZAP-VIFPVBQESA-N 337.336 -0.303 5 20 EBBD NCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)CO 595902266 QGCOHHLVXMLQMQ-JTQLQIEISA-N 346.771 -0.199 5 20 EBBD O=[N+]([O-])c1cccc(OC[C@H](O)CNCCN2CC[C@@H](O)C2)c1 600761217 WUOIFNNBCNNJNR-ZIAGYGMSSA-N 325.365 -0.009 5 20 EBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCc1nnnn1C 619494769 KMFCUMFBWGQFFR-UHFFFAOYSA-N 342.337 -0.352 5 20 EBBD CN1C(=O)CN(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O 776246438 QWMVBKJSQLZAJM-UHFFFAOYSA-N 332.276 -0.130 5 20 EBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2n[nH]c(C)c2O)C1 967948899 BJFMZDWDNPSDGW-NXEZZACHSA-N 337.336 -0.238 5 20 EBBD Cc1ncnc(O)c1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 978796136 BUXUTSPUBICBDG-LMLFDSFASA-N 349.347 -0.220 5 20 EBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(NCc2nnnn2C2CC2)CC1 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COC(=O)Cc1ccc(N2CCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 296477506 KGWHSJAMNGNMTJ-UHFFFAOYSA-N 336.348 -0.082 5 20 EBBD O=[N+]([O-])c1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cn1 339090515 JMQLJTIQTNILTF-NWDGAFQWSA-N 342.377 -0.730 5 20 EBBD CC(=O)N1CCN(C(=O)CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 341066850 KOOVZTSDMFVOFO-UHFFFAOYSA-N 337.336 -0.267 5 20 EBBD O=[N+]([O-])c1cccnc1N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 347226574 GPETUAXBWUUYTI-NEPJUHHUSA-N 342.377 -0.730 5 20 EBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 396847413 HVRHQLAACBUSCN-MWLCHTKSSA-N 346.361 -0.033 5 20 EBBD COC(=O)[C@H]1CNC(=O)CN1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 447907092 ZLCFJDIKTDBIMN-LLVKDONJSA-N 333.304 -0.056 5 20 EBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC(=O)NC1 490288395 RDXZQEGLJCTFTK-MRVPVSSYSA-N 336.304 -0.063 5 20 EBBD N[C@H]1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 571523732 SUCIJQNOVSACNE-AOOOYVTPSA-N 342.377 -0.273 5 20 EBBD CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 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O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnc2[nH]nnc2c1 1002623267 VJEXLKRLOYLCOS-MWLCHTKSSA-N 345.319 -0.794 5 20 EBBD Cc1cnc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1C 1042976810 VFSMJOVZYHPPHW-DGCLKSJQSA-N 348.359 -0.333 5 20 EBBD CCc1n[nH]cc1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057545633 IPQMRUSRJJDMPQ-BXKDBHETSA-N 339.352 -0.812 5 20 EBBD CN(CCCNC(=O)Cn1cnnc1O)c1ccc([N+](=O)[O-])cn1 1095541075 DBNGHYYDGOKOPJ-UHFFFAOYSA-N 335.324 -0.070 5 20 EBBD COCC(COC)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 1121388470 BOJAMQRHOZJMDS-LLVKDONJSA-N 342.400 -0.064 5 20 EBBD CC(C)N(CCN(C)c1ccnc(O)c1[N+](=O)[O-])C(=O)C(N)=O 1125673473 FRASVMJEMMEBKH-UHFFFAOYSA-N 325.325 -0.146 5 20 EBBD Cn1ncc([N+](=O)[O-])c1C(=O)NCCCn1c(=O)ccn(C)c1=O 1321461465 IJJMWRRQAJVVOU-UHFFFAOYSA-N 336.308 -0.991 5 20 EBBD C[C@H]1C[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1C 1346275996 GFXBNJDVXYXGOU-WDEREUQCSA-N 338.368 -0.494 5 20 EBBD Cn1ncnc1C1(O)CN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 1592607209 XKJZDMHDVJUMBE-UHFFFAOYSA-N 343.307 -0.389 5 20 EBBD O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC(O)(C(=O)O)C1 1609027548 DMTYHBDFTVHHKX-UHFFFAOYSA-N 342.329 -0.049 5 20 EBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN1 70807966 JVFIDSSSZAXYAK-GFCCVEGCSA-N 342.377 -0.259 5 20 EBBD C[C@H]1CN(CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 77250425 XMYXQZNJROIMGX-QWRGUYRKSA-N 326.357 -0.198 5 20 EBBD COC[C@@H](O)CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 268588148 FQTAHGZUZIMULP-SKDRFNHKSA-N 325.321 -0.163 5 20 EBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CC(N)=O)C(=O)O 275054961 IURNPZVDFHBYEY-SSDOTTSWSA-N 331.306 -0.490 5 20 EBBD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)O1 351782568 PKPHZRPZUPPAET-MWLCHTKSSA-N 337.336 -0.062 5 20 EBBD CC(=O)N1CCN(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 357314361 MCGPCPJDDMJPMI-UHFFFAOYSA-N 336.352 -0.335 5 20 EBBD CNS(=O)(=O)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 440171364 ORRNBKJZPWPQDX-UHFFFAOYSA-N 347.349 -0.352 5 20 EBBD COc1cccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1[N+](=O)[O-] 444140674 LJICTFASICKBCM-UHFFFAOYSA-N 344.349 -0.435 5 20 EBBD COc1ccc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1[N+](=O)[O-] 596878151 XZVFMGMNZZCDSN-YRGRVCCFSA-N 338.316 -0.368 5 20 EBBD CNC(=O)CCOC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 749045339 FHGYKORHUYTJAH-UHFFFAOYSA-N 337.288 -0.001 5 20 EBBD COCCn1cc(C(=O)OCCn2cnc([N+](=O)[O-])n2)ccc1=O 749080410 MXXOIEUGGYYEJH-UHFFFAOYSA-N 337.292 -0.149 5 20 EBBD O=C(O)CNC(=O)COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 821531100 FHLIEQKFFSNPKH-UHFFFAOYSA-N 336.260 -0.312 5 20 EBBD Cc1nn[nH]c1C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 956367996 CXOYYMRUQUUWEC-NXEZZACHSA-N 336.352 -0.111 5 20 EBBD CCCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 974114333 FJHLOBTYYLIPFB-DTHBNOIPSA-N 336.352 -0.270 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(CCN2CCNC2=O)CC1 1005384193 YPOFZISPNDUORN-CHWSQXEVSA-N 339.396 -0.400 5 20 EBBD 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COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CC(N)=O 322405921 QNTPYSAEMZDYMJ-SSDOTTSWSA-N 345.333 -0.076 5 20 EBBD CCNC(=O)CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 344213763 HYZUHOPQSQLLTE-UHFFFAOYSA-N 344.349 -0.583 5 20 EBBD O=C1NC(=O)N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]12 362573993 ZHOOMOQFTPCXJC-NSHDSACASA-N 334.288 -0.264 5 20 EBBD COC(=O)CNC(=O)c1ccc(N[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 362651125 VDCFXWVQARFEIL-SECBINFHSA-N 336.304 -0.202 5 20 EBBD CN1C(=O)CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 424117255 YITDLECPKJGWSF-JTQLQIEISA-N 334.288 -0.203 5 20 EBBD Cc1c(C(=O)N[C@H]2CN(C)NC2=O)nnn1-c1cccc([N+](=O)[O-])c1 450620930 ZOUQVYFBOKESHS-NSHDSACASA-N 345.319 -0.441 5 20 EBBD O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCN1CCCO 458573005 RPUOLSHZOXMJPY-GFCCVEGCSA-N 340.384 -0.063 5 20 EBBD CN(C[C@H](O)CN1CCOCC1)C(=O)c1cc([N+](=O)[O-])cn1C 530957975 NYVBEBWULLRBSQ-LBPRGKRZSA-N 326.353 -0.302 5 20 EBBD CCS(=O)(=O)NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 568431176 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CNC(=O)C1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 344932035 AAGOGDTVYIISNM-UHFFFAOYSA-N 349.347 -0.402 5 20 EBBD Cn1nc([N+](=O)[O-])cc1C(=O)NCCCN1CCC[C@H](C(N)=O)C1 356452105 XRBFGTGBJJIRLD-JTQLQIEISA-N 338.368 -0.355 5 20 EBBD CN(CC(=O)O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1O 435706732 TVXARFASAKHGIU-NWDGAFQWSA-N 341.295 -0.064 5 20 EBBD CCn1cc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2CN)c([N+](=O)[O-])n1 440851570 VSBBRCCNCQRZLW-ZJUUUORDSA-N 347.397 -0.062 5 20 EBBD NC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 505368811 PECKLBKAENCOMN-SSDOTTSWSA-N 326.334 -0.138 5 20 EBBD O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](O)Cn2ccnn2)s1 521272570 BTPQNUWBZHJQJP-ZETCQYMHSA-N 333.351 -0.413 5 20 EBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1 592440921 VQQJIWBUEFFSFM-BDAKNGLRSA-N 339.308 -0.723 5 20 EBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] 598027080 JAPTXVINZSCYGJ-JOYOIKCWSA-N 344.345 -0.098 5 20 EBBD COCC1(O)CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598628568 PTPJKEFFBAAZNT-UHFFFAOYSA-N 325.325 -0.581 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@H](C(N)=O)C2)n1 599240215 VLCMRHQRKUTNGN-YUMQZZPRSA-N 331.354 -0.349 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](CO)c2cccnc2)n1 599307538 UFFZIQUWCQEKTE-SNVBAGLBSA-N 341.349 -0.222 5 20 EBBD COC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 797288391 VRTYMZKNWBBWNF-ZCFIWIBFSA-N 331.306 -0.202 5 20 EBBD CN(CC(=O)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825897860 OVKMIYOOLQEOQL-UHFFFAOYSA-N 342.293 -0.520 5 20 EBBD Cn1nccc1CC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 946705719 PKHRTMPSKDLBLL-CHWSQXEVSA-N 335.364 -0.265 5 20 EBBD O=C(NCC1CCN(C(=O)Cn2nccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 948988480 JOKPYUOFNPBJJR-VXGBXAGGSA-N 336.352 -0.702 5 20 EBBD CN(C(=O)c1ccc2nncn2c1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954752691 RLOSNIMNOLSRJD-VXGBXAGGSA-N 344.331 -0.323 5 20 EBBD CCN(C(=O)c1cncc(OC)n1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 967953435 VAUDIRWFRSGUHA-ZYHUDNBSSA-N 349.347 -0.177 5 20 EBBD O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cn2c(n1)COCC2 974115061 IQBWXWMOMQVSMP-DTHBNOIPSA-N 349.347 -0.545 5 20 EBBD Cc1ncnc(O)c1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 979166235 VBLWJHRBGAZCFS-LMLFDSFASA-N 349.347 -0.220 5 20 EBBD CC(C)n1nnnc1CN1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 981136651 CETOCKKQFSOVTK-VXGBXAGGSA-N 337.384 -0.047 5 20 EBBD Cc1cc(C)n(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1001805717 RFJHEOWPLOXPFT-CHWSQXEVSA-N 335.364 -0.260 5 20 EBBD CN(C)c1nc(CN2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ns1 1031661770 HZOUKACRANEFHT-NXEZZACHSA-N 340.409 -0.183 5 20 EBBD O=C(NCCCNc1ccnc(O)c1[N+](=O)[O-])C1CS(=O)(=O)C1 1094611760 FOJLVQSOPSMRBM-UHFFFAOYSA-N 344.349 -0.342 5 20 EBBD CN(CCOCCNC(=O)CNC(N)=O)c1ncccc1[N+](=O)[O-] 1115167240 UVBMHQVTDHNHHZ-UHFFFAOYSA-N 340.340 -0.773 5 20 EBBD C[C@@H](N)[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 1261379475 DERNSSRNHBFLSW-ZWNOBZJWSA-N 336.348 -0.214 5 20 EBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCO[C@H](C(F)F)C1 1332625249 MDHDWUURDZBLFZ-VIFPVBQESA-N 347.278 -0.600 5 20 EBBD CN1CCC[C@@H](NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1=O 1349056996 KXGFWHRQLFRDOK-CYBMUJFWSA-N 348.359 -0.010 5 20 EBBD O=C1C[C@@]2(CCN(c3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)CN1 1593384684 UNMRMNVKUADCIQ-ZDUSSCGKSA-N 330.308 -0.114 5 20 EBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] 1601854204 VGRPHMLKBJJJHS-NSHDSACASA-N 342.329 -0.153 5 20 EBBD CC(=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848162513 YNCKCORWNKUKGP-RYUDHWBXSA-N 335.320 -0.418 5 20 EBBD CC(=O)NCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H](C)C(=O)O 262282800 WXULFVBXPQSKSM-MRVPVSSYSA-N 341.324 -0.312 5 20 EBBD CCc1[nH]nc(C(=O)N(C)CC(=O)N2CCOCC2)c1[N+](=O)[O-] 264556626 JYTSKZKUSOVYDJ-UHFFFAOYSA-N 325.325 -0.189 5 20 EBBD NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 268353881 NRCQZDVBCNDBSX-KOLCDFICSA-N 329.334 -0.094 5 20 EBBD NS(=O)(=O)CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 272229597 UGNOPKJZIMFAND-UHFFFAOYSA-N 331.306 -0.268 5 20 EBBD Cc1cc(S(=O)(=O)NCCN2CCNC(=O)C2)ccc1[N+](=O)[O-] 272653575 GCWCBIMYQRXFKM-UHFFFAOYSA-N 342.377 -0.387 5 20 EBBD O=C1CNC(=O)N1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 273994902 SBVMQVMNGTWRNA-UHFFFAOYSA-N 342.333 -0.185 5 20 EBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1nc(=O)o[nH]1 280180055 SYKPSGXTTIUJFR-QMMMGPOBSA-N 349.303 -0.252 5 20 EBBD C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H](CO)O1 345000545 XGQRIXFXPPVIJE-IUCAKERBSA-N 331.350 -0.172 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCS(=O)(=O)NC(C)C 352361072 GZTDVWXBMKSKPT-UHFFFAOYSA-N 347.397 -0.066 5 20 EBBD CC(C)(NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(N)=O 354525270 ZRKIWVHHMAHXAR-UHFFFAOYSA-N 329.334 -0.008 5 20 EBBD COc1ccc(NC(=O)[C@H](C)N2C[C@@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 444695582 MIEGNNCSEBBACO-ZEGGKSINSA-N 325.321 -0.032 5 20 EBBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCN1CCNCC1 520234898 INDOXYGTTYNUNX-UHFFFAOYSA-N 342.421 -0.038 5 20 EBBD N[C@@H]1C[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CCN2C1=O 577412021 NLJHFHAWSDHLSB-DGCLKSJQSA-N 334.332 -0.256 5 20 EBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H](CO)[C@H]1CCOC1 579104298 WKXSNULMOXBTPN-VHSXEESVSA-N 331.350 -0.087 5 20 EBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)C[C@H]1CN 592477184 SDOSQEGUCANOJM-BXUZGUMPSA-N 349.391 -0.186 5 20 EBBD CCn1cc(CNS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])nn1 594839981 VOPPTBHJGAALFL-UHFFFAOYSA-N 329.342 -0.099 5 20 EBBD COc1ccc(NC(=O)CN(CCN)C[C@@H](O)CO)c([N+](=O)[O-])c1 595900180 AGIPKSADUQUXIF-SNVBAGLBSA-N 342.352 -0.844 5 20 EBBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@@H](CO)[C@H](CO)C2)cc1 599531293 QEAFBHJAURVBII-RYUDHWBXSA-N 344.389 -0.099 5 20 EBBD O=C1CCC(=O)N1CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] 610263735 JNJGKVAOZAFYEE-UHFFFAOYSA-N 328.306 -0.583 5 20 EBBD C[C@@]1(C(N)=O)CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 619504636 KFPPDYYJADJBRP-GFCCVEGCSA-N 328.350 -0.056 5 20 EBBD NS(=O)(=O)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 737765124 SRXYAACNYCDSHM-MRVPVSSYSA-N 339.337 -0.358 5 20 EBBD NCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H](O)CO 852753931 WDEWRUKHYRKERH-NSHDSACASA-N 344.343 -0.324 5 20 EBBD CN(C(=O)C1(F)CCOCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954545099 ZSEQNQGFVGDRKS-GHMZBOCLSA-N 329.328 -0.161 5 20 EBBD O=C(NC1CN(C(=O)c2nccn3ccnc23)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991286695 NCYFUHLDNWRMJE-NXEZZACHSA-N 330.304 -0.665 5 20 EBBD O=C(CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)N1CCCC1 1029304613 BPLMCZXPGAWZPT-IGQOVBAYSA-N 336.392 -0.051 5 20 EBBD Cc1cccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1042975800 RRKVMIKGBVWBLI-ZYHUDNBSSA-N 334.332 -0.642 5 20 EBBD Cc1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 1056950250 NAADWSRMWYWGOL-NXEZZACHSA-N 326.309 -0.801 5 20 EBBD CC1(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1057543479 KMHDMLHTGJZIES-VXGBXAGGSA-N 343.380 -0.595 5 20 EBBD O=C(Cn1ncnn1)N[C@H]1[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]21 1060440578 KJZYPLLCFDBIAJ-IWIIMEHWSA-N 330.308 -0.773 5 20 EBBD O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1)c1ccnnc1 1070114613 XZKCVVCEPXTBLM-VXGBXAGGSA-N 349.347 -0.463 5 20 EBBD Nc1nc(NCCNC(=O)c2ccc3nn[nH]c3n2)ncc1[N+](=O)[O-] 1094209451 AQQJSVMFCHGQAG-UHFFFAOYSA-N 344.295 -0.525 5 20 EBBD CCN(CCCNC(=O)CC(=O)NC)c1ncc([N+](=O)[O-])c(N)n1 1095863923 MAISWZXYJPYDAS-UHFFFAOYSA-N 339.356 -0.564 5 20 EBBD CCCN(CCNC(=O)CNC(N)=O)c1ccnc(O)c1[N+](=O)[O-] 1101083801 VHPYRSDIGHPZDH-UHFFFAOYSA-N 340.340 -0.304 5 20 EBBD COCCOCCN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1147507089 LSDYIYRNJHSHGM-CHWSQXEVSA-N 327.381 -0.151 5 20 EBBD C[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 1323044027 DUIXXJBULVQONO-GWCFXTLKSA-N 337.332 -0.181 5 20 EBBD CN(C[C@H]1CCCOC1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1347105618 RBUUFEDGLLGVON-LLVKDONJSA-N 339.352 -0.208 5 20 EBBD CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])[nH]1 1847763084 RLAOKVZMKXLUNH-QWRGUYRKSA-N 349.347 -0.126 5 20 EBBD C[C@@H](CS(C)(=O)=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 265111426 ZRKZIWWXBKPZEU-VIFPVBQESA-N 343.361 -0.126 5 20 EBBD COCCn1c(N)c(C(=O)Cn2nccc2[N+](=O)[O-])c(O)nc1=O 269138695 XOOZIUFYAUDOEK-UHFFFAOYSA-N 338.280 -0.835 5 20 EBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H](O)CO 281314352 ALGFZYCMECEMDM-JTQLQIEISA-N 341.320 -0.256 5 20 EBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(N)=O 336860825 VLUZXKFEJBAIPM-UHFFFAOYSA-N 331.306 -0.513 5 20 EBBD O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)nc1 344563404 XDHAKZMYACTWAB-UHFFFAOYSA-N 339.337 -0.381 5 20 EBBD CCS(=O)(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 346070788 PFCDSEVAACMCAK-JTQLQIEISA-N 345.381 -0.326 5 20 EBBD COC(=O)C[C@]1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1 362269410 IYWTZKHSNIKZSS-DGCLKSJQSA-N 328.325 -0.536 5 20 EBBD CCS(=O)(=O)N1CC(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 438930479 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O=C(Cc1cccnc1)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 976355093 CBRZEOUCSMPDDT-VVSAWPALSA-N 330.344 -0.138 5 20 EBBD O=C(N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21)c1cc2n(n1)CCC2 976687859 DDDNKAOHHNTOQI-BLUODKFWSA-N 345.359 -0.319 5 20 EBBD O=C(NCC1CN(C(=O)CC2OCCCO2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001797416 XTYDKUGIDJLYSR-GHMZBOCLSA-N 327.337 -0.621 5 20 EBBD Cc1nn(C)c(F)c1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1003642694 BDSBRLWUBNKPQN-NXEZZACHSA-N 339.327 -0.279 5 20 EBBD Cn1nnnc1CNCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 1034815758 DZRWCSIOTCKAOL-CHWSQXEVSA-N 345.363 -0.219 5 20 EBBD Nc1nc(N2CCN(C(=O)CCn3ccnc3)CC2)ncc1[N+](=O)[O-] 1055968136 OVXWTEAISGWELX-UHFFFAOYSA-N 346.351 -0.098 5 20 EBBD O=C(CCCF)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074584606 OWXDBMIGPCDVKY-GHMZBOCLSA-N 331.344 -0.129 5 20 EBBD Cc1cnc(NCCNC(=O)CN2C(=O)CCC2=O)c([N+](=O)[O-])c1 1093626039 VMYBWLIYVMDOOJ-UHFFFAOYSA-N 335.320 -0.025 5 20 EBBD 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Cc1c(C(=O)NCc2nn[nH]n2)nnn1-c1cccc([N+](=O)[O-])c1 609532318 KPTPWURGVHNIFR-UHFFFAOYSA-N 329.280 -0.073 5 20 EBBD Cn1nnnc1CCNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 611313004 RVIWQODYOKSRHR-UHFFFAOYSA-N 347.291 -0.615 5 20 EBBD Cn1[nH]c(COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nc1=O 765394053 WWLJGHOBWVSFJK-UHFFFAOYSA-N 349.303 -0.120 5 20 EBBD Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)n1 772058820 NTSZQEHHOPKRBE-QMMMGPOBSA-N 339.308 -0.649 5 20 EBBD CN(C)S(=O)(=O)c1ccc(N2C[C@@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 856764925 SGJWRCBKUVFCLZ-NOZJJQNGSA-N 345.377 -0.366 5 20 EBBD COc1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ncn1 954359297 VRQXHDXRXFKSNQ-MWLCHTKSSA-N 335.320 -0.567 5 20 EBBD CCn1ncc(C(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)n1 976480330 FKDMBGWXFWGUEE-VZSYODPGSA-N 334.336 -0.850 5 20 EBBD NC(=O)c1ccnc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 1003163893 MIWSRYKSKSVQHD-ZYHUDNBSSA-N 347.331 -0.966 5 20 EBBD Cn1nncc1C(=O)NC[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 1046364055 WZGDQYFHZSWXJA-OCAPTIKFSA-N 347.339 -0.284 5 20 EBBD COc1ccc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 1046429909 WPTWDCYOZRBPKD-CHWSQXEVSA-N 349.343 -0.337 5 20 EBBD O=C(Cn1ncnn1)N1CCC(Nc2ccnc(O)c2[N+](=O)[O-])CC1 1057374534 BLWBIQFRNSTFRS-UHFFFAOYSA-N 348.323 -0.215 5 20 EBBD O=C(NCCN(CCO)C(=O)Cc1cscn1)[C@@H]1C[C@H]1[N+](=O)[O-] 1057619124 DZYNYRFIDGYRRF-GHMZBOCLSA-N 342.377 -0.712 5 20 EBBD O=C(Cn1cnnn1)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 1068449560 QAIBSJTWVIOASL-MGCOHNPYSA-N 332.324 -0.017 5 20 EBBD CN(CCNC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)S(C)(=O)=O 1200472573 RJWSWLDGKXFNJA-VXGBXAGGSA-N 348.425 -0.876 5 20 EBBD C[C@@H](NC(=O)COC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)N(C)C 1253922424 JJOVRWHHIJSZEL-SSDOTTSWSA-N 327.297 -0.922 5 20 EBBD O=C1C[C@@H](N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C2CC2)C(=O)N1 1320009226 IIQSVDRQWWVGCU-SECBINFHSA-N 334.288 -0.837 5 20 EBBD Cn1nccc1CS(=O)(=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1322125017 ULSJUKVWHIRWFO-NSHDSACASA-N 329.338 -0.499 5 20 EBBD COC(=O)[C@@H]1CNCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1326611830 LZGQMUCFCXYWCY-JTQLQIEISA-N 338.320 -0.880 5 20 EBBD NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 1340016214 MFBSVDWESYLLFN-NSHDSACASA-N 336.352 -0.128 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2[C@@H](C(=O)O)C2(F)F)n1 1600970786 QYBIEISGXITJEP-NJGYIYPDSA-N 340.264 -0.428 5 20 EBBD COc1ccc(S(=O)(=O)NCCN2CCNCC2)cc1[N+](=O)[O-] 262496962 LNSMQMKEEKLRBI-UHFFFAOYSA-N 344.393 -0.213 5 20 EBBD Cc1c(C(=O)N[C@H]2CCNC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 269130824 KEQCBHLHJCIZIE-QMMMGPOBSA-N 328.350 -0.358 5 20 EBBD C[C@H](O)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 298365873 WWIDWGYDKHUNMI-QMMMGPOBSA-N 346.365 -0.459 5 20 EBBD CC(=O)NCC(=O)NCC(=O)NCCNc1ccccc1[N+](=O)[O-] 299031592 LHLPKUCVQSRMNF-UHFFFAOYSA-N 337.336 -0.625 5 20 EBBD CC(=O)NCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 299292346 JRFIIPBFDOFBCY-UHFFFAOYSA-N 344.349 -0.875 5 20 EBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@](O)(C(N)=O)C1 323374732 FJLJTDFKGKZDKE-LBPRGKRZSA-N 345.333 -0.786 5 20 EBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](O)C(=O)OC 345302692 QQXRMBPATMKHMR-RKDXNWHRSA-N 343.340 -0.523 5 20 EBBD C[C@](O)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)CN1CCOCC1 358364417 ZIIQQMPAZRLCOC-AWEZNQCLSA-N 341.368 -0.619 5 20 EBBD C[C@H](CO)NC(=O)c1cc(C(=O)N[C@H](C)CO)cc([N+](=O)[O-])c1 359558616 GORSVRMSHNVHHO-RKDXNWHRSA-N 325.321 -0.184 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](c2nn[nH]n2)C1 558659575 ZZAVVFKOSXLQCX-VIFPVBQESA-N 333.308 -0.324 5 20 EBBD NS(=O)(=O)c1ccc(N2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-] 596192618 FRFUFPSBTLMFNH-LLVKDONJSA-N 342.377 -0.237 5 20 EBBD NS(=O)(=O)c1ccc(N2CC[C@@H](CO)[C@H](O)C2)cc1[N+](=O)[O-] 596208406 YLTYRZRUYTTZGJ-GZMMTYOYSA-N 331.350 -0.578 5 20 EBBD CCC[C@@H](O)[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)O 600656928 YRHSBTHHOMKWGG-SFYZADRCSA-N 336.326 -0.779 5 20 EBBD COc1ccc(S(=O)(=O)NCCc2nnnn2C)cc1[N+](=O)[O-] 611314329 POCWNDALVKWNQY-UHFFFAOYSA-N 342.337 -0.352 5 20 EBBD CNC(=O)NCCC(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 796686014 GNKFTYZDPFRCBY-UHFFFAOYSA-N 330.322 -0.281 5 20 EBBD C[C@@H]1CN(C(=O)COC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 919380330 NLESVXFNVYRGAG-NXEZZACHSA-N 326.309 -0.030 5 20 EBBD CCN(C(=O)c1cnn(C)c1N)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 967896951 ZORNAJGSQUONNN-MWLCHTKSSA-N 336.352 -0.660 5 20 EBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cncn1 970056798 DTJHLZBSPDMRTD-WRWGMCAJSA-N 334.336 -0.855 5 20 EBBD O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1=COCCO1 978795337 PESVMIWJLLFHPB-LMLFDSFASA-N 325.321 -0.449 5 20 EBBD O=C(N[C@H]1[C@@H]2CN(Cc3ncnn3CCF)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 1025775884 PDZOKSGNMSMDNJ-HMUNZLOLSA-N 338.343 -0.541 5 20 EBBD Cn1nnc(C(=O)N2CCCN(c3ccnc(O)c3[N+](=O)[O-])CC2)n1 1057212417 XVPYWXMEYQJSSZ-UHFFFAOYSA-N 348.323 -0.429 5 20 EBBD Cn1nnc(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(O)c4[N+](=O)[O-])C[C@@H]32)n1 1060464604 AAQAUVATISHLTO-QMSLJYSESA-N 346.307 -0.917 5 20 EBBD CS(=O)(=O)N1CCC(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1253853264 LUAKVLNLYOIWEI-UHFFFAOYSA-N 331.354 -0.281 5 20 EBBD COc1c(C(=O)N[C@H]2CC(=O)N(C3CNC3)C2)cccc1[N+](=O)[O-] 1579134454 CIDMRSHKGGZGDF-VIFPVBQESA-N 334.332 -0.094 5 20 EBBD O=[N+]([O-])c1cnc(N2CCn3c(O)nnc3C2)c(-c2nn[nH]n2)c1 1593489803 IWSCYYFDUFBCGL-UHFFFAOYSA-N 330.268 -0.513 5 20 EBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1 1843333266 WUBNJHAVUHHYMC-JTQLQIEISA-N 346.347 -0.337 5 20 EBBD Cn1cnn(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O 154032076 ISFBFCRVJZTHAH-UHFFFAOYSA-N 346.347 -0.161 5 20 EBBD CC(=O)NCCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H](C)C(=O)O 262214506 KIWBGNMPNMWAAM-QMMMGPOBSA-N 327.297 -0.771 5 20 EBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](CN)C1 274856435 ZHBVNZSNDYGCAR-GWCFXTLKSA-N 336.348 -0.101 5 20 EBBD C[C@H](O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 277348966 AHQIEJJFEAUNLI-VIFPVBQESA-N 346.365 -0.447 5 20 EBBD CN(C)S(=O)(=O)c1ccc(NC[C@@H](O)C(N)=O)c([N+](=O)[O-])c1 340865676 JJLUGNYEFWAFQH-SNVBAGLBSA-N 332.338 -0.897 5 20 EBBD CN(C)CC(=O)N1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 341747377 ZKLNLLIKTKRRTD-UHFFFAOYSA-N 335.364 -0.096 5 20 EBBD CCC[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(N)=O 344989516 GXAKOUOPVDZIRT-SECBINFHSA-N 348.315 -0.039 5 20 EBBD NC(=O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 370271800 XUHAIKAUHNABSM-UHFFFAOYSA-N 329.334 -0.092 5 20 EBBD COC[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 760061404 DEJIYVKWXFBCQY-NSHDSACASA-N 338.320 -0.669 5 20 EBBD C[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NC(=O)NC1CC1 772059882 QNZVHSFMAZGKTL-LURJTMIESA-N 325.281 -0.138 5 20 EBBD CNc1ccc(C(=O)NCCC(=O)NS(C)(=O)=O)cc1[N+](=O)[O-] 800549584 KVYGWZSIGMTLME-UHFFFAOYSA-N 344.349 -0.168 5 20 EBBD CC(=O)NCCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H](C)C(=O)O 819752732 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CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(N)=O 292226471 TYCVGAUWEAYMIC-VIFPVBQESA-N 345.333 -0.076 5 20 EBBD CN(C(=O)CN1CC[C@H](S(N)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 339845208 NRJNTZKLOIQXEC-LBPRGKRZSA-N 342.377 -0.080 5 20 EBBD COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 352068474 HRZSUUAPTXAHOO-VIFPVBQESA-N 334.306 -0.584 5 20 EBBD NS(=O)(=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 353814981 NAYTVNMPSWESHW-UHFFFAOYSA-N 330.322 -0.738 5 20 EBBD COC(=O)CNC(=O)c1ccc(NC[C@](C)(O)CO)c([N+](=O)[O-])c1 360108862 SNKZPIGAKONQCT-AWEZNQCLSA-N 341.320 -0.347 5 20 EBBD COc1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] 362574001 ZKLPXYWURVNSCG-JTQLQIEISA-N 334.288 -0.020 5 20 EBBD NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cnc(O)c([N+](=O)[O-])c1 445021769 RKOOHFYPDWDICV-QMMMGPOBSA-N 330.322 -0.412 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(C(N)=O)CCCC2)n1 599233529 AJZCAHHQXNLNQN-UHFFFAOYSA-N 331.354 -0.348 5 20 EBBD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCn1ccc([N+](=O)[O-])n1 748133277 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Cc1c(C(=O)NCCCN(C)c2ncc([N+](=O)[O-])c(N)n2)nnn1C 1095510724 XHRNVHGXOQAGKT-UHFFFAOYSA-N 349.355 -0.340 5 20 EBBD CS(=O)(=O)C[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 1117739925 UJWGEVUYGPPOJQ-DGCLKSJQSA-N 346.409 -0.091 5 20 EBBD CCN1CCC(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1321902107 KBEWWYUAHYFCCG-UHFFFAOYSA-N 338.368 -0.492 5 20 EBBD O=C(NCC[C@@H]1CCCCO1)C(=O)NCCn1cc([N+](=O)[O-])cn1 1324959830 TXJNIZUWMZLBFG-LBPRGKRZSA-N 339.352 -0.017 5 20 EBBD Nc1cc(N2CCS(=O)(=O)CC2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] 1606451355 NVAVETMRRXDXDG-UHFFFAOYSA-N 339.337 -0.408 5 20 EBBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CC(N)=O)CC(N)=O 267197862 PVLZBDYBBZSVEQ-UHFFFAOYSA-N 344.349 -0.827 5 20 EBBD Nc1c(C(=O)NCCN2CCCS2(=O)=O)cccc1[N+](=O)[O-] 267339462 RZTOPFQVIYGPIZ-UHFFFAOYSA-N 328.350 -0.058 5 20 EBBD C[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 269368220 LHHXFWIFRDOJNB-SECBINFHSA-N 331.350 -0.288 5 20 EBBD C[C@H](NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)C(=O)N(C)C 339315963 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O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc2n(n1)CCO2 978937887 QZWFCOJPQIJNOE-DTHBNOIPSA-N 349.347 -0.435 5 20 EBBD COCc1nn(C)cc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 994594677 VOZGUQLTYBNOFX-BXKDBHETSA-N 337.336 -0.828 5 20 EBBD O=C(NCC1CN(C(=O)c2ccnc3[nH]nnc23)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001807643 QBSNSXIRVPDAPT-NXEZZACHSA-N 345.319 -0.794 5 20 EBBD Cc1nc(NCCNC(=O)CN2CCNC(=O)C2)ccc1[N+](=O)[O-] 1094056958 HXDWJNXZYLCXDJ-UHFFFAOYSA-N 336.352 -0.742 5 20 EBBD Nc1nc(NC2(CNC(=O)CCn3cncn3)CC2)ncc1[N+](=O)[O-] 1110056481 WWSUXRZMGXCPTR-UHFFFAOYSA-N 347.339 -0.291 5 20 EBBD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)O1 1319985035 SKOXETYVCMHWHL-WCBMZHEXSA-N 325.325 -0.306 5 20 EBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC[C@@H]1CCCCO1 1345306597 VLOCUTVZJLMAFR-NSHDSACASA-N 325.325 -0.407 5 20 EBBD O=[N+]([O-])c1cn(C[C@H]2CCCS(=O)(=O)C2)nc1-c1nn[nH]n1 1593486744 JXAYZAICPSXTJH-SSDOTTSWSA-N 327.326 -0.204 5 20 EBBD C[C@@]1(C(=O)O)CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCO1 1776508416 OJSCCBRMWRRNJB-LBPRGKRZSA-N 345.333 -0.078 5 20 EBBD O=C(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N1CCOCC1 271972638 NHYINHPCLWSCMA-UHFFFAOYSA-N 347.324 -0.129 5 20 EBBD COC(=O)[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)O 275863547 ZCORIYLASHIAKS-KWQFWETISA-N 332.334 -0.063 5 20 EBBD COC(=O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 294637859 ZTKADPAVUPDMLJ-SECBINFHSA-N 332.290 -0.111 5 20 EBBD Nc1c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc(F)cc1[N+](=O)[O-] 344035044 HXLNYXXNXVNUNY-VIFPVBQESA-N 337.267 -0.308 5 20 EBBD CNS(=O)(=O)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 367129278 OWSHPEQZTFTDHL-LBPRGKRZSA-N 344.393 -0.230 5 20 EBBD COc1cc(S(=O)(=O)N2CCO[C@@H](CN)C2)ccc1[N+](=O)[O-] 370427969 KTQWHAZIRZCQPZ-VIFPVBQESA-N 331.350 -0.048 5 20 EBBD COC(=O)[C@H](O)C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 578335830 SGUIYHVQDTUVLB-LLVKDONJSA-N 338.320 -0.042 5 20 EBBD CCN1C(=O)[C@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CCN2C1=O 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C[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 299284403 KFQXYCWELPUQES-VIFPVBQESA-N 346.365 -0.447 5 20 EBBD CNC(=O)[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCO1 330832247 SLERRTACSPYHBS-SNVBAGLBSA-N 325.325 -0.500 5 20 EBBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@H](O)C[C@H]1CO 347725570 FSUXUNKYJSRDRN-WDEREUQCSA-N 338.316 -0.137 5 20 EBBD NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 355471889 MATJBNKNPGDLTJ-SNVBAGLBSA-N 343.317 -0.069 5 20 EBBD CCc1[nH]nc(C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)c1[N+](=O)[O-] 372156988 MVXXPBUJGWNYNT-SSDOTTSWSA-N 331.354 -0.356 5 20 EBBD CNS(=O)(=O)[C@@H]1CCCN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])C1 376264748 IBRVINBCXDWJER-SECBINFHSA-N 343.365 -0.043 5 20 EBBD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] 555316595 AINDLZCZDDEOQC-NKWVEPMBSA-N 327.297 -0.496 5 20 EBBD CN(C)C(=O)[C@@H]1CC[C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)O1 562991012 LLAOARMRFYONIP-UPJWGTAASA-N 341.368 -0.622 5 20 EBBD CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599264770 MXTISYLCJBKZCC-SSDOTTSWSA-N 340.383 -0.570 5 20 EBBD CC(C)(C(=O)O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 600877572 ZBQJMSJNCOAJTF-UHFFFAOYSA-N 326.313 -0.806 5 20 EBBD O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCc1ccc([N+](=O)[O-])cc1 823130988 AMSFFLCOUZXDBO-UHFFFAOYSA-N 343.307 -0.275 5 20 EBBD Nc1ccc(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1[N+](=O)[O-] 823968344 OPDLGNAMGQNRGS-SNVBAGLBSA-N 334.292 -0.055 5 20 EBBD COC(=O)CS(=O)(=O)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 838801598 MEHDWQZLNHFSQQ-UHFFFAOYSA-N 346.273 -0.444 5 20 EBBD NC(=O)c1ccc(COC(=O)[C@H]2CCS(=O)(=O)N2)c([N+](=O)[O-])c1 845365565 FXCHYSOMOJMTJQ-SECBINFHSA-N 343.317 -0.571 5 20 EBBD CC(C)(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)[N+](=O)[O-] 851127608 YSMXZHLMQNVTLY-YJFSRANCSA-N 326.305 -0.253 5 20 EBBD Cc1nn2cccnc2c1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991290853 PLYQZNMWOWHLCM-GHMZBOCLSA-N 344.331 -0.356 5 20 EBBD Cc1nnccc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1058202161 USFJTHBIXWSIQX-VXGBXAGGSA-N 337.336 -0.999 5 20 EBBD CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3nccc(C)c3[N+](=O)[O-])C[C@@H]21 1097550110 LJMZTPIIKWQKGX-PJXYFTJBSA-N 333.348 -0.015 5 20 EBBD CCC[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 1117604911 UGKQWOCIDYXADS-GFCCVEGCSA-N 339.352 -0.065 5 20 EBBD COC1([C@H](C)NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1 1118091776 DVYBNEKPABVQPQ-JTQLQIEISA-N 339.352 -0.019 5 20 EBBD Cn1cnn(CCC(=O)NCCNCc2ccccc2[N+](=O)[O-])c1=O 1131763185 OZHVABBRDQGPRJ-UHFFFAOYSA-N 348.363 -0.214 5 20 EBBD CC(C)(O)[C@@H]1CCCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1323905655 NCGNFVREHSGVTN-NSHDSACASA-N 339.352 -0.331 5 20 EBBD COC(=O)c1cnc(N(C)CCNS(C)(=O)=O)c([N+](=O)[O-])c1 1351120503 CYZUYVWBBQALCI-UHFFFAOYSA-N 332.338 -0.238 5 20 EBBD O=C1CN(CCNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCN1 1593397276 AIDGNGAFKDSUMP-UHFFFAOYSA-N 332.324 -0.381 5 20 EBBD O=C(O)[C@@H](O)C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1608554474 QIDARHKPOGLRLT-ZDUSSCGKSA-N 339.304 -0.559 5 20 EBBD Nc1nc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)ncc1[N+](=O)[O-] 298720509 OCMLBTJUEMQHAT-UHFFFAOYSA-N 349.351 -0.762 5 20 EBBD CS(=O)(=O)[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 336914207 AJNINSGKPTZZMC-SECBINFHSA-N 349.390 -0.135 5 20 EBBD CS(=O)(=O)c1cccc(N2CCO[C@@H](C(N)=O)C2)c1[N+](=O)[O-] 345143236 APOLPVQDASHXIX-SECBINFHSA-N 329.334 -0.311 5 20 EBBD NC(=O)[C@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 355031721 OBLRUDFPRNUXCL-NSHDSACASA-N 349.347 -0.272 5 20 EBBD O=C(NC[C@@H]1CS(=O)(=O)CCO1)c1cc(O)cc([N+](=O)[O-])c1 356837870 QVNXRSDGKOABMH-LLVKDONJSA-N 330.318 -0.156 5 20 EBBD CCNCCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 419882027 BXFVECQSLWSEBM-UHFFFAOYSA-N 336.348 -0.090 5 20 EBBD CN(CC(=O)O)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O 435702406 ABWJZBBYUBEFRA-CHWSQXEVSA-N 337.332 -0.275 5 20 EBBD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c[nH]nc1[N+](=O)[O-] 555316591 AINDLZCZDDEOQC-BQBZGAKWSA-N 327.297 -0.496 5 20 EBBD CN(C)[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O 582763616 OLHPMHWGYSSVQA-UBHSHLNASA-N 325.365 -0.059 5 20 EBBD CC(C)NS(=O)(=O)NCCNc1cc(N)c([N+](=O)[O-])c(CO)c1 588033455 VXOGHVOXHVKCEB-UHFFFAOYSA-N 347.397 -0.086 5 20 EBBD C[C@H](N)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 592546914 KMVXHKNFPXYUCC-VIFPVBQESA-N 330.366 -0.273 5 20 EBBD CC(=O)NCCNS(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-] 593305161 DWWMPLUETXEVIM-UHFFFAOYSA-N 331.306 -0.293 5 20 EBBD COCCOCCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 593518951 WKABVEUGINICAS-UHFFFAOYSA-N 326.357 -0.248 5 20 EBBD C[C@H](CS(C)(=O)=O)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O 761411083 DRAREQASMUYTQR-SECBINFHSA-N 332.334 -0.020 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCSC[C@@H]1c1nn[nH]n1 776562053 CJKLOJRNXOEBCP-MRVPVSSYSA-N 338.353 -0.070 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cnc3n2CCOC3)C1 954242232 LPOOZXBHJMJPPK-GHMZBOCLSA-N 349.347 -0.639 5 20 EBBD O=C(CC1CC1)N1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 967212293 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Cc1cnccc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042927131 OJMBSGHMZYPFBQ-VXGBXAGGSA-N 334.332 -0.642 5 20 EBBD CCCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1042978397 LLOVBESVNSKRGO-GHMZBOCLSA-N 325.365 -0.079 5 20 EBBD Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ncccc4[N+](=O)[O-])C[C@@H]32)nn1 1060404944 ARTHUDGVPSVFDX-GDGBQDQQSA-N 329.320 -0.017 5 20 EBBD Cn1ncc(C(=O)NC[C@H]2C[C@@H](NCc3c([N+](=O)[O-])ncn3C)C2)n1 1086223925 PERWCCGQWGGPNR-AOOOYVTPSA-N 348.367 -0.245 5 20 EBBD CN(CCNC(=O)c1cncnc1O)c1ncc([N+](=O)[O-])c(N)n1 1100209384 JRKZIEGPHIWDBX-UHFFFAOYSA-N 334.296 -0.671 5 20 EBBD Nc1nc(N(CCNC(=O)Cn2cncn2)C2CC2)ncc1[N+](=O)[O-] 1101345541 SIIMLPFXOTYPCJ-UHFFFAOYSA-N 347.339 -0.656 5 20 EBBD CN(CCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)CS(C)(=O)=O 1105341821 FWINXALCDYFKQE-UHFFFAOYSA-N 330.366 -0.071 5 20 EBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H]2COC3(CCOCC3)O2)c1 1118149359 DJWOIJAQSMNBSH-QWHCGFSZSA-N 342.352 -0.336 5 20 EBBD COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 1324741599 LDKXZUFQIGRWRI-GHMZBOCLSA-N 342.352 -0.186 5 20 EBBD O=[N+]([O-])c1cnn(C[C@H](O)CNC2CCN([C@H]3CCOC3)CC2)c1 1327958564 WLACXJXVSWELBX-DZGCQCFKSA-N 339.396 -0.005 5 20 EBBD CNC(=O)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CCO1 1604879398 YUXKMJHVDXNKDJ-JTQLQIEISA-N 348.323 -0.692 5 20 EBBD CNC(=O)CN1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1609288175 AFXZLVXPDIVDRU-UHFFFAOYSA-N 346.351 -0.357 5 20 EBBD O=C(CN1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCOCC1 22814094 CTMQCXGTORVBEF-UHFFFAOYSA-N 335.364 -0.029 5 20 EBBD O=C(NCC1CC1)[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 53836828 WZGYRRHSHWJSHA-NSHDSACASA-N 336.352 -0.049 5 20 EBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NN1CC(=O)N(C)C1=O 272802361 AZMGBMLAYMXPJY-UHFFFAOYSA-N 328.306 -0.009 5 20 EBBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O 274899481 HUKIJCJHVSTNTP-VIFPVBQESA-N 345.333 -0.181 5 20 EBBD Cc1cc(Cl)c(S(=O)(=O)N[C@@H](CO)C(N)=O)cc1[N+](=O)[O-] 285337911 OXQHGZGQVOQBRJ-ZETCQYMHSA-N 337.741 -0.319 5 20 EBBD Cc1ccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 337699371 AVOMUPGFUCMKNW-JTQLQIEISA-N 329.334 -0.222 5 20 EBBD CCOC(=O)[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 351973763 DJDICARSFCFPOG-VIFPVBQESA-N 348.333 -0.194 5 20 EBBD CCS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 353662690 IVPBYCIJSSSXNY-UHFFFAOYSA-N 344.349 -0.197 5 20 EBBD O=C([C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)N1CCNCC1 430607891 BPTLYGROGRYEMA-CYBMUJFWSA-N 336.396 -0.065 5 20 EBBD COc1cc(C(=O)NCC(=O)NCCO)cc([N+](=O)[O-])c1OC 448263832 OBQCJKXGPVZREW-UHFFFAOYSA-N 327.293 -0.550 5 20 EBBD CO[C@@H]1CCC[C@H]([C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C(=O)O)C1 570529847 XZVIXWKCPZIMAH-IQJOONFLSA-N 341.324 -0.039 5 20 EBBD Cn1ccc(NCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)n1 572397901 QHPKORJRWIWXGF-UHFFFAOYSA-N 340.365 0.500 5 20 EBBD COC[C@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)C(N)=O 758494001 HUXBUNBZAURRIG-VIFPVBQESA-N 331.350 -0.010 5 20 EBBD CN1C(=O)C[C@@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1=O 773661568 NHFCHLHJFHIVIG-ZYHUDNBSSA-N 346.299 -0.039 5 20 EBBD Cc1c(C(=O)OC[C@@H](C)[N+](=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C 813113010 NVPARSIMGNDFBH-SSDOTTSWSA-N 336.304 -0.237 5 20 EBBD CNC(=O)[C@H](NC(=O)COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 840671987 BUIVAWIGBNFGBX-NQBHXWOUSA-N 335.316 -0.202 5 20 EBBD CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1c[nH]nc1[N+](=O)[O-] 854716516 XTVLCNJXUINLCU-ZETCQYMHSA-N 329.313 -0.067 5 20 EBBD NS(=O)(=O)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 918067323 CSFFPWVHCSDTTI-UHFFFAOYSA-N 327.322 -0.651 5 20 EBBD O=C(NCC1CCN(C(=O)Cc2cnc[nH]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 949568693 OHLCBDMIXXGIFS-CHWSQXEVSA-N 335.364 -0.028 5 20 EBBD NC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc1 974116278 ZUUOMNGANZLDBT-DTHBNOIPSA-N 347.331 -0.777 5 20 EBBD Cn1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O 980018869 BDWOAOPHPZLNFG-OJAKKHQRSA-N 348.359 -0.325 5 20 EBBD Cn1cc(OCC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 1001810413 LLNGAFXAQANJPB-VXGBXAGGSA-N 337.336 -0.961 5 20 EBBD Cc1nc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])co1 1057543427 IHWVGFNMJAEHTM-MWLCHTKSSA-N 326.309 -0.801 5 20 EBBD NC(=O)c1cncc(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)c1 1093659647 MJOPJXDAXVNXLK-UHFFFAOYSA-N 346.307 -0.697 5 20 EBBD Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)Cn1c(O)nnc1O 1093779757 VQVKPJJDQWTGQC-UHFFFAOYSA-N 337.296 -0.471 5 20 EBBD Nc1nc(NCCNC(=O)CCc2cncnc2)ncc1[N+](=O)[O-] 1093991716 GPSPEMAEPLNJHM-UHFFFAOYSA-N 332.324 -0.082 5 20 EBBD CN(CCNC(=O)c1cc(=O)n(C)o1)c1ccnc(O)c1[N+](=O)[O-] 1100077311 AQWHBRJGNIZNSV-UHFFFAOYSA-N 337.292 -0.147 5 20 EBBD CCNC(=O)NC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1195760374 ASIJJYXLCCUQMM-GHMZBOCLSA-N 341.368 -0.968 5 20 EBBD O=C1CO[C@H]2CCN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])C[C@@H]2N1 1607047884 PVORTTOZYROERR-CABZTGNLSA-N 345.319 -0.131 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC(=O)N1CCOCC1 68178203 JVXLPSHFNURTPY-UHFFFAOYSA-N 325.325 -0.583 5 20 EBBD C[C@@H](CN)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 262486338 HFKYLAZFSIMWIS-VIFPVBQESA-N 330.366 -0.416 5 20 EBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](NC(N)=O)C1 270611708 IKBVVCMBVRCQQC-GXSJLCMTSA-N 349.347 -0.018 5 20 EBBD COCCN1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1=O 271214927 XENUDOCWNPISIJ-UHFFFAOYSA-N 325.325 -0.432 5 20 EBBD Cc1c(C(=O)N(C)C[C@H](O)CO)nnn1-c1cccc([N+](=O)[O-])c1 273934981 WJPSSBUORLQPPM-LBPRGKRZSA-N 335.320 -0.091 5 20 EBBD O=C(O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 275333730 QUVQJWZVUDSRTO-APPZFPTMSA-N 334.281 -0.058 5 20 EBBD CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(S(C)(=O)=O)C1 292128898 IOFURDLAAFLLRY-PWSUYJOCSA-N 347.397 -0.882 5 20 EBBD CS(=O)(=O)c1ccc(C(=O)N[C@]2(CO)CCOC2)cc1[N+](=O)[O-] 338188116 XZKYSQBLNVRTHF-ZDUSSCGKSA-N 344.345 -0.121 5 20 EBBD CS(=O)(=O)N1CCCC[C@@H]1CN=c1nc(N)c([N+](=O)[O-])c[nH]1 344012150 XHMFSSCHKBPYGN-MRVPVSSYSA-N 330.370 -0.385 5 20 EBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCc1nc[nH]n1 345729478 JDKHVXWGEDLCTC-UHFFFAOYSA-N 344.287 -0.332 5 20 EBBD C[C@H](NC(N)=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 360685070 JKAKPSKFYFTATG-QMMMGPOBSA-N 344.349 -0.459 5 20 EBBD Nc1nc(=NCCNS(=O)(=O)c2cccnc2)[nH]cc1[N+](=O)[O-] 448101081 AHBMWVAGOPNFSQ-UHFFFAOYSA-N 339.337 -0.826 5 20 EBBD NCc1noc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 515351221 CHCBMUKSLSLVBA-UHFFFAOYSA-N 327.322 -0.043 5 20 EBBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 577281146 PNHXJQWZLAKDDE-LLVKDONJSA-N 335.364 -0.030 5 20 EBBD CNc1nccc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)c1[N+](=O)[O-] 579142109 ZOAGUTNVDASWFJ-QMMMGPOBSA-N 328.350 0.291 5 20 EBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 594785280 DMORVFADTNWSNS-SCZZXKLOSA-N 332.334 -0.423 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)n1 600650793 BNWNLEJQSSWPGB-HTQZYQBOSA-N 348.337 -0.514 5 20 EBBD CCn1cc(S(=O)(=O)N(CCO)CCC(=O)O)c([N+](=O)[O-])n1 614375998 RTIVVBDNNNPAMR-UHFFFAOYSA-N 336.326 -0.731 5 20 EBBD CNS(=O)(=O)c1ccc(N2CCC(N)(CO)CC2)c([N+](=O)[O-])c1 733895870 OEPFFCYMTBXEBQ-UHFFFAOYSA-N 344.393 -0.207 5 20 EBBD NC(=O)CNC(=O)c1cccc(OC(=O)Cn2cc([N+](=O)[O-])cn2)c1 734713957 AQZQCCQAITUARM-UHFFFAOYSA-N 347.287 -0.388 5 20 EBBD NC(=O)CS(=O)(=O)NC(=O)CCNc1ccccc1[N+](=O)[O-] 766922269 JVMBTOVGQGSCOG-UHFFFAOYSA-N 330.322 -0.672 5 20 EBBD CN(C(=O)c1csc(O)n1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 955051975 BOHQTNORYUJWAL-VXNVDRBHSA-N 326.334 -0.203 5 20 EBBD NC(=O)C1(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)CC1 969787929 OZZVUUFYYLNZNH-UKKRHICBSA-N 336.348 -0.881 5 20 EBBD Cc1nonc1C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1017442215 GNOBOXYBGAXYSH-GHMZBOCLSA-N 335.320 -0.068 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(Cc2ncnn2CC(F)F)C1 1042705845 ZPNFUIAFLQNXLY-NXEZZACHSA-N 344.322 -0.149 5 20 EBBD Cc1nnc(CC(=O)NCCCNc2ncc([N+](=O)[O-])c(N)n2)o1 1094392269 MOQOUSQFHFXCPB-UHFFFAOYSA-N 336.312 -0.181 5 20 EBBD CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)c1ccc(C(N)=O)o1 1102039052 MSQYFTGVSYWIHH-UHFFFAOYSA-N 349.307 -0.157 5 20 EBBD O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN([C@H]3CCC[C@H]3O)CC2)c1 1330089651 UEZZOGDIRFMXBC-QLFBSQMISA-N 339.396 -0.317 5 20 EBBD CN(CC(=O)N[C@@H]1CCNC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 262501115 CMWZUJPDDBQJJH-SNVBAGLBSA-N 342.377 -0.307 5 20 EBBD Nc1cccc([N+](=O)[O-])c1C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 263046316 JUIHQIXIKMHLMQ-SECBINFHSA-N 343.317 -0.499 5 20 EBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](CO)C1 269219836 ZRMCQCQBUIBYQS-ZWNOBZJWSA-N 337.332 -0.067 5 20 EBBD C[C@H](O)C[C@H]1COCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 274552347 UYZBZVNGSHMSDU-QWRGUYRKSA-N 327.341 -0.027 5 20 EBBD COc1cc(OCC(=O)N2CC[C@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 286492653 MPVJIIFDHSHBBI-CQSZACIVSA-N 339.304 -0.569 5 20 EBBD CN(C[C@H](O)CO)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 355612083 ZDXSVYQBOWFIOT-JTQLQIEISA-N 332.334 -0.577 5 20 EBBD C[C@H](O)C1(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 598384726 QXUXKHXBEFQNEI-VIFPVBQESA-N 343.361 -0.097 5 20 EBBD NS(=O)(=O)c1c(N2CCN(CCO)CC2)cccc1[N+](=O)[O-] 603928619 GWKIAUHTNNUUFD-UHFFFAOYSA-N 330.366 -0.644 5 20 EBBD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 610874714 QZMDWTVXFJHNFB-LLVKDONJSA-N 345.381 -0.278 5 20 EBBD O=C(Nn1c(O)nnc1O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 820288360 JPEFLPGHMSWWQX-SECBINFHSA-N 334.248 -0.139 5 20 EBBD C[C@H]1CN(S(=O)(=O)N2CCN(CC[N+](=O)[O-])CC2)C[C@@H](C)O1 929255378 SBRJXSLDUSMTKY-TXEJJXNPSA-N 336.414 -0.765 5 20 EBBD O=C(NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1c[nH]c(=O)cn1 1017683719 ZHPPXEIGXRIZAS-ZYHUDNBSSA-N 347.331 -0.676 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(CC(=O)Nc2nccs2)C1 1042705021 HFRWDHDMPSLSOY-NXEZZACHSA-N 339.377 -0.111 5 20 EBBD COCCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042976508 FHGJYAGCRJXXDC-GHMZBOCLSA-N 343.380 -0.596 5 20 EBBD 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CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786617471 UUKFXALDFGCJDG-DCAQKATOSA-N 337.336 -0.069 5 20 EBBD NC(=O)[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 51106563 VQQHUCJYRZNZPC-ZDUSSCGKSA-N 334.332 -0.330 5 20 EBBD NC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 51163978 SOHOCISEWGVXNT-SECBINFHSA-N 333.297 -0.391 5 20 EBBD COCc1nc2n(n1)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)CC2 135165277 GPCQGIZQDLQHLC-SNVBAGLBSA-N 349.351 -0.031 5 20 EBBD C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N(C)C 263802283 USWIYWCBNKXKGD-QMMMGPOBSA-N 348.315 -0.216 5 20 EBBD CCCc1[nH]nc(C(=O)NCCNS(=O)(=O)CC)c1[N+](=O)[O-] 264633472 ZQLGWYQXOJMUIC-UHFFFAOYSA-N 333.370 -0.061 5 20 EBBD COc1c(F)cc(S(=O)(=O)NC[C@H](O)C(=O)O)cc1[N+](=O)[O-] 276770505 BLZNUIYZFOZLNO-QMMMGPOBSA-N 338.269 -0.534 5 20 EBBD O=C1CN(C(=O)CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1 298011584 CHMVGSZBYDFNAW-UHFFFAOYSA-N 348.363 -0.930 5 20 EBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(=O)NCC(=O)O 298877544 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344.393 -0.026 5 20 EBBD O=C(NCCc1nc(=O)o[nH]1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 447634291 OGISWLBEIUMFMI-UHFFFAOYSA-N 345.275 -0.176 5 20 EBBD CN1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](CN)C1 568737317 JNTJAYICXSOQDR-ZDUSSCGKSA-N 349.391 -0.645 5 20 EBBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1 569471216 IJTNXIQMHLTEED-DGCLKSJQSA-N 330.362 -0.248 5 20 EBBD NS(=O)(=O)c1ccc(N2CCN(CCO)CC2)cc1[N+](=O)[O-] 589103453 YYTLZJGJVYBQBK-UHFFFAOYSA-N 330.366 -0.644 5 20 EBBD NS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3C[C@H]32)cc1[N+](=O)[O-] 590432769 VLXGUESUVAENJZ-SCZZXKLOSA-N 327.318 -0.145 5 20 EBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC/C=C/CO 597990653 BJRIWSPFLFFODA-OWOJBTEDSA-N 343.361 -0.072 5 20 EBBD Cc1[nH]nc(C(=O)N2CCN(CC[S@](C)=O)CC2)c1[N+](=O)[O-] 741296321 QHHHZILEHYOXIM-QFIPXVFZSA-N 329.382 -0.237 5 20 EBBD O=C(CCN1CCCS1(=O)=O)OCCn1ccc([N+](=O)[O-])n1 748117022 VEXNXQXKMBSBPL-UHFFFAOYSA-N 332.338 -0.240 5 20 EBBD 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348.363 -0.139 5 20 EBBD CS(=O)(=O)N1CC[C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 1325844404 STVMTXXTNGTDEY-CMPLNLGQSA-N 347.397 -0.977 5 20 EBBD COCCN1CCN(c2nnc(-c3nc[nH]c3[N+](=O)[O-])n2C)CC1 1518529892 NUDAPXKRORGVGA-UHFFFAOYSA-N 336.356 -0.118 5 20 EBBD Cc1cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c(C(=O)O)cc1[N+](=O)[O-] 1600241117 QUOMINPFBPXUEU-VIFPVBQESA-N 348.315 -0.252 5 20 EBBD C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C(N)=O)O1 268368057 QYEJZDRWIKLVQC-BXKDBHETSA-N 343.361 -0.001 5 20 EBBD NC(=O)N[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 270643361 NLEMNJBKPBCLGI-LLVKDONJSA-N 349.347 -0.016 5 20 EBBD NC(=O)C1=NO[C@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 275923482 UTLDVXVTPUWRMZ-LURJTMIESA-N 346.296 -0.358 5 20 EBBD CNS(=O)(=O)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 296028979 RXDDSJAKTGDXDE-CYBMUJFWSA-N 344.393 -0.290 5 20 EBBD COCCCNC(=O)CN(C)C(=O)c1c([N+](=O)[O-])c(C)nn1C 347973207 SRLGXSLHUQNLNW-UHFFFAOYSA-N 327.341 -0.139 5 20 EBBD COC(=O)c1cc(C(=O)NCCOCC(N)=O)cc([N+](=O)[O-])c1 353191846 LHDPHWVODXVSAG-UHFFFAOYSA-N 325.277 -0.387 5 20 EBBD O=C(NCc1cc[nH]n1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 555571511 ISKJSLQHWRHGOB-UHFFFAOYSA-N 347.335 -0.006 5 20 EBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CNCCO1 572000532 WWINRVOWMKXLNK-MNOVXSKESA-N 340.384 -0.068 5 20 EBBD C[S@](=O)CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 730093910 GVMUPHVMYRXFOX-QHCPKHFHSA-N 341.345 -0.185 5 20 EBBD CCN(CC)S(=O)(=O)CC(=O)OCCn1cnc([N+](=O)[O-])n1 784889996 SGDHEURNVYODLV-UHFFFAOYSA-N 335.342 -0.599 5 20 EBBD C[C@@H](O)COC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 791628231 ICXKNYMWYONUCB-MRVPVSSYSA-N 347.349 -0.032 5 20 EBBD O=C(Cn1ccc([N+](=O)[O-])n1)NS(=O)(=O)c1cnc2n1CCC2 802208617 PGAZMGLYTGZIOV-UHFFFAOYSA-N 340.321 -0.561 5 20 EBBD CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)CNC(C)=O 821602982 DOPDJQMCHCEFTK-UHFFFAOYSA-N 344.349 -0.032 5 20 EBBD CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@H]21 821628576 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336.352 -0.742 5 20 EBBD CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 1097151739 HCWBDMMIFFZBPV-DTORHVGOSA-N 337.340 -0.496 5 20 EBBD CCN(CCNC(=O)c1cn(C)nn1)c1ncc([N+](=O)[O-])c(N)n1 1100505167 NDQZPYNSLUARDN-UHFFFAOYSA-N 335.328 -0.648 5 20 EBBD CNC(=O)C1(C(=O)NC/C=C\CNc2ncc([N+](=O)[O-])c(N)n2)CC1 1107252708 OZZNTRGBXXGNSS-IHWYPQMZSA-N 349.351 -0.423 5 20 EBBD CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCN(S(C)(=O)=O)CC1 1323817704 OAFBRSKYMLSTGK-UHFFFAOYSA-N 345.381 -0.326 5 20 EBBD CCO[C@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1325570823 LNMIUFKQMVJWOK-LBPRGKRZSA-N 339.352 -0.065 5 20 EBBD O=C1NC[C@@H](C(=O)OCc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])N1 1607050859 XEEFSEMOFSYDBA-QMMMGPOBSA-N 333.264 -0.501 5 20 EBBD COC(=O)[C@@H]1C[C@H](O)CN1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1609295614 IALRCNJUEMYDCI-UFBFGSQYSA-N 348.319 -0.117 5 20 EBBD O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)ccc1O 37326161 HYSQDVVBBMILFQ-ZETCQYMHSA-N 336.347 -0.234 5 20 EBBD 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CCC1(O)CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 597633588 YDAVRNZOCICXLC-UHFFFAOYSA-N 343.361 -0.144 5 20 EBBD CCn1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)O)c([N+](=O)[O-])n1 614380613 UPSOKBFASWUIRL-MRVPVSSYSA-N 348.337 -0.325 5 20 EBBD C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(=O)N(C)C 801438937 PWVAYXHBXKAMLX-SSDOTTSWSA-N 345.333 -0.124 5 20 EBBD CN(C)C(=O)COC1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 826854549 MKRMVKOZOUPDDS-CQSZACIVSA-N 337.332 -0.056 5 20 EBBD CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 839626798 SVFFDUHKYLRIIQ-VXGBXAGGSA-N 341.364 -0.088 5 20 EBBD COCCN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 949091752 DJIGKIWZBJKJCV-CHWSQXEVSA-N 327.381 -0.009 5 20 EBBD CN(C)c1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 973253535 YZKCQDXLNPCADE-DNRKLUKYSA-N 348.363 -0.415 5 20 EBBD O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccnc2[nH]nnc12 1003418894 PYFUBMSNGPPUJN-NXEZZACHSA-N 345.319 -0.794 5 20 EBBD O=C(c1nc[nH]n1)N1CCCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1010653916 ZNNCKEHEKFPLIC-NXEZZACHSA-N 334.336 -0.466 5 20 EBBD O=C(NCC1=CCN(C(=O)Cc2cc[nH]n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1017441163 XSORVBGJLKLSDG-CHWSQXEVSA-N 333.348 -0.108 5 20 EBBD CNS(=O)(=O)CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] 1101627059 NUTYADOWXPNDAD-UHFFFAOYSA-N 331.354 -0.591 5 20 EBBD CCC(=O)NCC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 1107079287 TYNSOIMKRMTIFL-ONEGZZNKSA-N 337.340 -0.423 5 20 EBBD CCOCCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 1107167972 ONIDVDRFIMDEOB-CHWSQXEVSA-N 338.368 -0.547 5 20 EBBD Cc1cnc(NCCN(CCO)C(=O)c2nc[nH]n2)c([N+](=O)[O-])c1 1111496392 BYIPOHNBZPEYBB-UHFFFAOYSA-N 335.324 -0.037 5 20 EBBD Cc1[nH]nc(C(=O)NCCN2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 1115932167 NBHXCQQJLVJMAF-UHFFFAOYSA-N 331.354 -0.913 5 20 EBBD Cn1nc2c(cc1=O)CN(C(=O)CCn1cc([N+](=O)[O-])cn1)CC2 1252581610 YZQZCQCDTRALQA-UHFFFAOYSA-N 332.320 -0.140 5 20 EBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@@H]1COCCN1 1331619211 BMKRXNVIXWNPKM-GFCCVEGCSA-N 336.348 -0.342 5 20 EBBD Cn1ncc([N+](=O)[O-])c1C(=O)NCCCN1C(=O)NC(C)(C)C1=O 1529238945 KGHWRQJLODJSBB-UHFFFAOYSA-N 338.324 -0.221 5 20 EBBD COCC[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 1599214147 DAGDRWYRGDWTHH-LLVKDONJSA-N 339.304 -0.070 5 20 EBBD COC(=O)[C@H]1CC[C@H](C(=O)O)N(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 1606394590 PABAGTHWYFPAEX-JGVFFNPUSA-N 340.292 -0.193 5 20 EBBD CCN(CCNC(=O)c1c[nH]c(=O)cn1)Cc1c([N+](=O)[O-])ncn1C 1753087734 PDACDYAYBTUENF-UHFFFAOYSA-N 349.351 -0.337 5 20 EBBD CNC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCO1 273580267 GRYUGVTUMFRVCF-LBPRGKRZSA-N 343.361 -0.129 5 20 EBBD CS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 276122489 YQBOCWCCJNALLY-UHFFFAOYSA-N 337.379 -0.041 5 20 EBBD O=c1nc(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[nH]o1 347427255 WZSGQLLKENWONZ-UHFFFAOYSA-N 328.306 -0.067 5 20 EBBD Nc1noc(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 359746830 VOKIIADEIRIQBD-UHFFFAOYSA-N 344.291 0.113 5 20 EBBD NS(=O)(=O)c1cccc(N2CCN(C3COC3)CC2)c1[N+](=O)[O-] 375919043 YQMZAHJRMYWGBD-UHFFFAOYSA-N 342.377 -0.237 5 20 EBBD COC[C@@H](C)OC[C@H](O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O 447012287 BMVKYFCIQLFTOA-MWLCHTKSSA-N 344.320 -0.045 5 20 EBBD CO[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1O 456421739 PYDTXKPKUQPFRZ-ZWKOPEQDSA-N 337.332 -0.069 5 20 EBBD NS(=O)(=O)c1c(N2CC[C@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] 562245274 GKLRKBDYNAEBQE-LDYMZIIASA-N 331.350 -0.578 5 20 EBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCN(C[C@@H]2CCCO2)CC1 604573555 VOJDZVXIGQCGJV-LBPRGKRZSA-N 338.368 -0.100 5 20 EBBD O=C(NN1CCS(=O)(=O)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 862738277 OHCNFLZGQMUPSV-UHFFFAOYSA-N 344.305 -0.122 5 20 EBBD COC(=O)C1(NCCn2cc([N+](=O)[O-])cn2)CCS(=O)(=O)CC1 1116919053 VWYOPXHEOXRFCO-UHFFFAOYSA-N 346.365 -0.499 5 20 EBBD CC1(C)NC(=O)N(CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1=O 1121270829 JCRAPROYUMBJEX-UHFFFAOYSA-N 338.324 -0.372 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cncnc1O 1160640247 UMZDTCXPRBOXER-UHFFFAOYSA-N 335.324 -0.266 5 20 EBBD CC1(C)CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1CCO 1255391450 WXVNFZBSILMDMS-UHFFFAOYSA-N 338.364 -0.328 5 20 EBBD CN(C[C@@H](O)CN1CCOCC1)c1nccc(C(=O)O)c1[N+](=O)[O-] 1261503115 MIYRTDPWIROEEI-SNVBAGLBSA-N 340.336 -0.183 5 20 EBBD Cc1[nH]nc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] 1319296222 USQPHCLALPTTST-UHFFFAOYSA-N 331.354 -0.220 5 20 EBBD CN(CCn1ccc([N+](=O)[O-])n1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1319367024 TXVQJBGVYVKGQY-SNVBAGLBSA-N 345.381 -0.974 5 20 EBBD Cn1cc(N2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)cn1 1319473541 IAOFMXCMSAJKBF-UHFFFAOYSA-N 346.347 -0.161 5 20 EBBD CCS(=O)(=O)N1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1323830384 DSCMUCUMHFZDFI-UHFFFAOYSA-N 331.354 -0.138 5 20 EBBD CO[C@@]1(C(=O)O)CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 1599079676 VVKHSYXTKSXUQZ-NSHDSACASA-N 331.306 -0.146 5 20 EBBD Cn1cnc(C(=O)NC/C=C\CNCc2c([N+](=O)[O-])ncn2C)n1 1754117064 ATISUJWBMHNTES-ARJAWSKDSA-N 334.340 -0.467 5 20 EBBD Cc1cc(C(=O)NCC(=O)NCCS(N)(=O)=O)ccc1[N+](=O)[O-] 272847632 PJVWXUYNHLFJCZ-UHFFFAOYSA-N 344.349 -0.962 5 20 EBBD COC(CN(CCCO)C(=O)Cn1cc([N+](=O)[O-])ccc1=O)OC 274918553 AIVVZCHTYIGXCL-UHFFFAOYSA-N 343.336 -0.414 5 20 EBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H](O)C1CC1 343799672 ZZZGZDTVISMTAU-LLVKDONJSA-N 343.361 -0.240 5 20 EBBD CNC(=O)COc1cccc(CN=c2nc(N)c([N+](=O)[O-])c[nH]2)c1 343813123 SZDCLAUBQDZWIN-UHFFFAOYSA-N 332.320 0.126 5 20 EBBD C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)S(N)(=O)=O 350615557 HOAWYMBXPMLMQS-ZETCQYMHSA-N 345.333 -0.227 5 20 EBBD Cc1nn(C)c(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] 358868185 GLDHKPSRYZDWJN-NSHDSACASA-N 343.409 -0.054 5 20 EBBD C[C@H](CN)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 423457702 PHMQAIBGHLMKRC-SECBINFHSA-N 330.366 -0.416 5 20 EBBD Cn1cc([C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@H]2N)cn1 424458508 CIXVVBTWXGZOKU-QWHCGFSZSA-N 348.367 -0.339 5 20 EBBD C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)N1CCO 458577915 WCZXIKOXMPCEKI-TXEJJXNPSA-N 340.384 -0.112 5 20 EBBD Nc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(F)cc1[N+](=O)[O-] 516982167 WNOGBKRXDLVZEX-WPRPVWTQSA-N 337.311 -0.300 5 20 EBBD O=C(NCCCn1nc2n(c1=O)CCCC2)c1c[nH]nc1[N+](=O)[O-] 558734986 XTNKMSLIKADUMJ-UHFFFAOYSA-N 335.324 -0.168 5 20 EBBD CC[C@@](COC)(NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(=O)O 583796862 FQWNSXTZCOYFEV-LBPRGKRZSA-N 329.313 -0.030 5 20 EBBD CS(=O)(=O)CCNc1ccc(C(=O)NCC(=O)O)cc1[N+](=O)[O-] 832670303 JMMYBLFKUMMGTL-UHFFFAOYSA-N 345.333 -0.134 5 20 EBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N 855472091 AFQGRZYECKNYFS-MWLCHTKSSA-N 347.324 -0.142 5 20 EBBD O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1cnns1 1062630774 MPKAVLJCSDPWIY-HTQZYQBOSA-N 325.350 -0.028 5 20 EBBD Cc1nc(NCCNC(=O)C2CC(=O)NC(=O)C2)ccc1[N+](=O)[O-] 1093741675 NHXHASPDQPWWIY-UHFFFAOYSA-N 335.320 -0.121 5 20 EBBD CNS(=O)(=O)CC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] 1100140484 QKYBJWXYMFQCLT-UHFFFAOYSA-N 331.354 -0.909 5 20 EBBD CN(CCCNc1ccnc(O)c1[N+](=O)[O-])C(=O)Cn1cnnn1 1109363712 SBGMNKYFLDNQEI-UHFFFAOYSA-N 336.312 -0.358 5 20 EBBD O=C(Cn1nccn1)N(CCO)CCNc1ncccc1[N+](=O)[O-] 1111516400 BRVDJGVBDQTWFS-UHFFFAOYSA-N 335.324 -0.486 5 20 EBBD CC(=O)OC[C@@H](CO)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 1321147184 CBQPBCSKHWUKLM-LLVKDONJSA-N 328.325 -0.162 5 20 EBBD O=C(NC[C@H]1CNCCO1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1328769836 FHYQVEGGKFQXNB-CYBMUJFWSA-N 334.332 -0.458 5 20 EBBD CN1CCN(C)[C@H](CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 1579374994 MXDCFBIRMAAIOE-SNVBAGLBSA-N 333.356 -0.172 5 20 EBBD Cn1cc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])c(=O)n(C)c1=O 15327003 YNXULGILMMGBIQ-UHFFFAOYSA-N 342.289 -0.845 5 20 EBBD NS(=O)(=O)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 67137649 SYXDQSMVXZYXAE-UHFFFAOYSA-N 340.321 -0.806 5 20 EBBD CC(C)(O)CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 173638140 KOWHYGULFWMRLM-CYBMUJFWSA-N 327.385 -0.459 5 20 EBBD CNC(=O)[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CCO1 273094977 KNLNIPFLAKBYAI-NSHDSACASA-N 339.352 -0.228 5 20 EBBD C[C@H](O)CNC(=O)c1cc(C(=O)NC[C@H](C)O)cc([N+](=O)[O-])c1 274091208 UHSFSBAWDWNLHM-IUCAKERBSA-N 325.321 -0.184 5 20 EBBD COc1c(F)cc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] 277443785 FMUMMZBSCCTZMU-UWVGGRQHSA-N 336.297 -0.531 5 20 EBBD NS(=O)(=O)CCOCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] 340843629 BRRGIKCKZVSKON-UHFFFAOYSA-N 335.313 -0.231 5 20 EBBD COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccn(C)n1 348039261 UGFARMNSIZGZDT-SNVBAGLBSA-N 334.292 -0.050 5 20 EBBD CS(=O)(=O)c1ccc(N2CC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 351829772 OYKGPAKGSKSQEH-VIFPVBQESA-N 349.390 -0.135 5 20 EBBD CN(C[C@@H](O)CO)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 353958805 FWVIKVVHJXFGSB-MRVPVSSYSA-N 337.288 -0.998 5 20 EBBD CCN1C(=O)[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CCN2C1=O 378007566 QHDZRXAWPVVQKH-VIFPVBQESA-N 336.308 -0.714 5 20 EBBD C[C@@H](CN)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 417266130 BXFMPSOTHPLNID-VIFPVBQESA-N 345.381 -0.481 5 20 EBBD COC(=O)c1cc(C)[nH]c(=NCC(=O)N=c2ccn(C)[nH]2)c1[N+](=O)[O-] 450526674 HAVBXNOBJOESFE-UHFFFAOYSA-N 348.319 -0.287 5 20 EBBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)C1(CO)COC1 569230985 WQEWRVBXXNPDDE-UHFFFAOYSA-N 347.331 0.075 5 20 EBBD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccnc(N)c1[N+](=O)[O-] 571177059 UBWNHLUBCMGNGS-QMMMGPOBSA-N 343.365 -0.274 5 20 EBBD C[C@](O)(CO)CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598905055 HNYKKVSLWPITNM-CYBMUJFWSA-N 326.309 -0.424 5 20 EBBD CCS(=O)(=O)CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599328466 OZGZJPZAXLMIKS-UHFFFAOYSA-N 340.383 -0.569 5 20 EBBD O=C1C[C@@]2(CCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CN1 610307600 SQEPOSWPWHDHOQ-HNNXBMFYSA-N 334.332 -0.115 5 20 EBBD C[C@H](OC(=O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)O 737708585 VZSYRRQPZJNYEY-LURJTMIESA-N 347.305 -0.330 5 20 EBBD CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 840673163 SBRZDQWMUDBFEG-GMTAPVOTSA-N 343.336 -0.116 5 20 EBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)CN2CCCC2=O)C1 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NC(=O)[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 51467622 ZQNDJEZGVPWFOT-LLVKDONJSA-N 336.304 -0.963 5 20 EBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)c1 90699018 CLBCLPDAJZRCHN-LBPRGKRZSA-N 326.378 -0.127 5 20 EBBD C[C@@H](N)[C@@H](C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 262529669 MWYQKXJAOFZSTC-NXEZZACHSA-N 344.393 -0.027 5 20 EBBD COc1cc(S(=O)(=O)NCCN2CCNCC2)ccc1[N+](=O)[O-] 262731000 DEDXRXMMFWJOHR-UHFFFAOYSA-N 344.393 -0.213 5 20 EBBD COC(=O)[C@H](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H](C)O 274511192 QTGWLXRMHDAXHF-GXSJLCMTSA-N 328.325 -0.163 5 20 EBBD CS(=O)(=O)N1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 299234395 LWNBVWVQWKISBP-MRVPVSSYSA-N 343.365 -0.075 5 20 EBBD CCn1cc(S(=O)(=O)NC[C@H](O)COCC2CC2)c([N+](=O)[O-])n1 339047059 CPTSNMCAHMDBBY-JTQLQIEISA-N 348.381 -0.123 5 20 EBBD COC(=O)[C@H](CSC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)NC(C)=O 341391832 LBBJMYMCYLPFPN-QWRGUYRKSA-N 346.365 -0.437 5 20 EBBD O=C1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1 342060468 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Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(NS(C)(=O)=O)C1 599420156 CBGXSBSHBURFPO-UHFFFAOYSA-N 349.390 -0.175 5 20 EBBD CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 785116668 SFBLUDITBAJWJT-QMMMGPOBSA-N 331.712 -0.002 5 20 EBBD COC(=O)CNC(=O)COC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 796251477 DYOREAVWZQVVPG-UHFFFAOYSA-N 328.281 -0.113 5 20 EBBD CNC(=O)CN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 826890332 NCWVRFRPDVYNTB-AWEZNQCLSA-N 336.348 -0.482 5 20 EBBD CC(C)n1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)nn1 977094989 ZNEYSHOICPKFCR-QTCIEIIFSA-N 348.363 -0.289 5 20 EBBD Cc1ccn(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 978800388 QMQGQMMTERBNOM-YVECIDJPSA-N 335.364 -0.132 5 20 EBBD CCc1nnc(C)cc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 994581616 FXMJBHBMNYEJNO-DGCLKSJQSA-N 333.348 -0.047 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)c2cccn(C)c2=O)C1 1031275121 GCMUFXYSIVFWPA-UHFFFAOYSA-N 346.347 -0.359 5 20 EBBD Cn1nnc(C(=O)NCC2CN(Cc3ccccc3[N+](=O)[O-])C2)n1 1031904399 AALYDAIPIDQVHY-UHFFFAOYSA-N 331.336 -0.020 5 20 EBBD Cc1[nH]nc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)c1O 1062806728 RJJYRNHMMTUXCW-RKDXNWHRSA-N 337.336 -0.142 5 20 EBBD O=C(NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cocn1 1074583522 IDOBUAMIJKGESC-MWLCHTKSSA-N 338.320 -0.577 5 20 EBBD Nc1nc(NC/C=C\CNC(=O)C2=COCCO2)ncc1[N+](=O)[O-] 1107018703 UFGSCWZATZZYFB-UPHRSURJSA-N 336.308 -0.061 5 20 EBBD CCOC(=O)[C@@H](CO)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 1116532557 WDBGXUDBDHTTCO-LLVKDONJSA-N 336.304 -0.015 5 20 EBBD C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1118645021 RMRHZEOCYJOHFF-MWLCHTKSSA-N 325.325 -0.721 5 20 EBBD CCCN1CC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1118646205 ZCXHVOWHMBCSID-LLVKDONJSA-N 338.368 -0.492 5 20 EBBD COCCN(CCNC(=O)Cn1cnnn1)c1ccc([N+](=O)[O-])cc1 1126191423 GZUPHSJSAWOUKH-UHFFFAOYSA-N 349.351 -0.150 5 20 EBBD NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1319701801 QKHNGJOGHFSDSQ-JTQLQIEISA-N 336.352 -0.128 5 20 EBBD CS(=O)(=O)NCCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1326697580 BYGWMXOJJYBPRO-UHFFFAOYSA-N 345.381 -0.106 5 20 EBBD CNC[C@H](O)[C@H](C)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1578641295 PZQWEYMELORJCV-AAEUAGOBSA-N 337.380 -0.145 5 20 EBBD CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1793999926 FZJCMLQVGIWQTQ-GNXNZQSNSA-N 337.336 -0.599 5 20 EBBD C[C@H](O)CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 249525203 XUUCDMMQUSHKIW-OBJOEFQTSA-N 327.385 -0.461 5 20 EBBD C[C@H]1CCNC(=O)[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 282138524 JBVIKWYYHRSNJE-TVQRCGJNSA-N 334.332 -0.035 5 20 EBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCOCCO 298298564 DMACDFQKNTXPJO-JTQLQIEISA-N 325.321 -0.162 5 20 EBBD O=[N+]([O-])c1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cn1 339090517 JMQLJTIQTNILTF-RYUDHWBXSA-N 342.377 -0.730 5 20 EBBD CO[C@H](CN)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 353174888 WOJNLZHVGYYVOX-SECBINFHSA-N 342.377 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Cn1nc2c(c1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C1)CCC2 973252397 HUITXCMZSRNVMZ-RUSTZOOPSA-N 347.375 -0.049 5 20 EBBD Cc1cnn(CC(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)c1 976484461 QRQSHFDZNJXWDD-DIACKHNESA-N 333.348 -0.570 5 20 EBBD O=C(NC1CN(C(=O)c2ncc(F)cc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991287144 GMBCPHMXXFKYPZ-PSASIEDQSA-N 326.259 -0.034 5 20 EBBD Nc1nc(N2CCCN(C(=O)Cc3nc[nH]n3)CC2)ncc1[N+](=O)[O-] 1057175740 YQTBGIQBFIDGTG-UHFFFAOYSA-N 347.339 -0.634 5 20 EBBD Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1057543395 GOUUXNAKLLOQQH-ZYHUDNBSSA-N 337.336 -0.999 5 20 EBBD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(F)cn1 1057543672 SDDQKSRHLLHPAX-ZYHUDNBSSA-N 340.311 -0.563 5 20 EBBD O=C(NCCN(CCO)C(=O)CC1=CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1058733605 FSRHIJIKHWKJHH-CHWSQXEVSA-N 341.364 -0.675 5 20 EBBD CCN(C(=O)Cc1cncnc1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1079692612 WHYDJFVOBHAJFB-CHWSQXEVSA-N 333.348 -0.256 5 20 EBBD 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COC(=O)NCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 492992045 NXMHNKGBLLITKY-UHFFFAOYSA-N 332.294 -0.459 5 20 EBBD CN1C(=O)C[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 598905196 KGLNZLCQHZBLSN-JTQLQIEISA-N 349.303 -0.410 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)n1 600650801 BNWNLEJQSSWPGB-YUMQZZPRSA-N 348.337 -0.514 5 20 EBBD C[S@](=O)CCN1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 770520676 FYHPNMIQFDUDCN-QHCPKHFHSA-N 342.377 -0.168 5 20 EBBD CNC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 781679979 MMYYJIIBTTXIAH-SNVBAGLBSA-N 344.349 -0.807 5 20 EBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)O 794907954 OBXQKTLTHWOEBH-APPZFPTMSA-N 346.317 -0.188 5 20 EBBD O=C1NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]12 826481653 DQGQSYAGGMGMBC-JTQLQIEISA-N 344.291 -0.485 5 20 EBBD C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1CCC(=O)O 833623441 QEHDWOBSSGMOIB-JTQLQIEISA-N 325.325 -0.201 5 20 EBBD NC(=O)[C@@]1(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)CCOC1 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Cc1nc2n(n1)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC2 339674730 NMMZZUUAJTZGGR-SNVBAGLBSA-N 332.320 -0.212 5 20 EBBD Cn1cc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 343808504 OGSGWCJSTWHCIJ-UHFFFAOYSA-N 340.365 -0.209 5 20 EBBD CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 364943656 PEOSHGGRSRAZNG-LLVKDONJSA-N 349.390 -0.093 5 20 EBBD CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 391385682 CXXCFGDFKVNVRU-SSDOTTSWSA-N 345.333 -0.206 5 20 EBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)[C@H](O)C1 444692921 FXRXXFQEMHDERK-TXEJJXNPSA-N 325.321 -0.031 5 20 EBBD CNc1nccc(C(=O)N2CCOC[C@@H]2CC(=O)OC)c1[N+](=O)[O-] 594361063 NSQBKYHIEAEMPV-VIFPVBQESA-N 338.320 0.436 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCS(=O)(=O)C[C@@H]1C1CC1 597725682 ZPGRSYVOIKJGAH-LLVKDONJSA-N 328.350 -0.173 5 20 EBBD COC[C@]1(C(=O)O)CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600664740 GVCQNQAQGPYCJR-NSHDSACASA-N 348.337 -0.417 5 20 EBBD O=C(C(=O)N1CCN(c2cccnc2[N+](=O)[O-])CC1)N1CCOCC1 603842359 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C[C@H](COCC1CC1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1118293081 CFACNXDJBNZMJE-SNVBAGLBSA-N 339.352 -0.161 5 20 EBBD COCCN(CCNC(=O)C(N)=O)c1ccc([N+](=O)[O-])c(C)n1 1126507259 BKQCHZHRGLZCTQ-UHFFFAOYSA-N 325.325 -0.647 5 20 EBBD Cc1noc(CCC(=O)NCCNCc2c([N+](=O)[O-])ncn2C)n1 1132121413 UIEBPZVUZHAYQK-UHFFFAOYSA-N 337.340 -0.142 5 20 EBBD O=C1O[C@H]2C[C@H]1N(C(=O)CN1C(=O)COc3ccc([N+](=O)[O-])cc31)C2 1328031659 NSTPWORCZDPLSC-GXSJLCMTSA-N 347.283 -0.154 5 20 EBBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCNC(=O)C1 1348106203 YLIRYEYEQKVFIV-UHFFFAOYSA-N 334.332 -0.446 5 20 EBBD CN(CCS(C)(=O)=O)c1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 1591117034 CZNYERCQNJUWTL-UHFFFAOYSA-N 341.353 -0.162 5 20 EBBD Cn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCN(CCC(=O)O)C2=O)n1 1608122545 JISLJYTVDKAYPT-QMMMGPOBSA-N 326.265 -0.439 5 20 EBBD COC(=O)CNC(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 28310411 CQRGBECBPZRTHU-UHFFFAOYSA-N 340.244 -0.231 5 20 EBBD CCCCOCCNC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 54916465 ZNHDUTJXUQAPAT-UHFFFAOYSA-N 340.336 -0.212 5 20 EBBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)NC[C@H]2C1 267709349 VJEXHOVCYFJEAH-NSHDSACASA-N 333.304 -0.231 5 20 EBBD COC[C@@H](O)CNc1ccc([N+](=O)[O-])c(NC[C@H](O)COC)n1 277869012 RTNWTUPZOPBNHO-UWVGGRQHSA-N 330.341 -0.172 5 20 EBBD C[C@]1(C(N)=O)CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 280185822 IJNVNDYKPZRFAE-LBPRGKRZSA-N 328.350 -0.056 5 20 EBBD Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 356484929 SZFXZLXXVCEMSA-NSHDSACASA-N 337.336 -0.208 5 20 EBBD CC(=O)NCCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H](C)C(=O)O 357773021 RRXZLEUWSRQRRO-MRVPVSSYSA-N 326.309 -0.015 5 20 EBBD C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1S(C)(=O)=O 408124596 VTMCAJQNFUCUKJ-QMMMGPOBSA-N 331.354 -0.566 5 20 EBBD CN1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)S1(=O)=O 419076320 PTHQHYZTLQYYIV-UHFFFAOYSA-N 340.361 -0.024 5 20 EBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] 598028500 OAPVMIYSABAUQG-ZYHUDNBSSA-N 343.361 -0.065 5 20 EBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCOC[C@H]1O 600585984 RXRUFOBOEVYIMH-TVYUQYBPSA-N 337.332 -0.021 5 20 EBBD CNc1c(C(=O)NS(=O)(=O)CC(=O)OC)cccc1[N+](=O)[O-] 838801250 HXMIEYNCZNNFOD-UHFFFAOYSA-N 331.306 -0.131 5 20 EBBD Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(OCCO)CCOC1 855407025 FMALUDCNZLSODC-ZDUSSCGKSA-N 326.309 -0.530 5 20 EBBD O=C(c1cc[nH]c1)N1CCN(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 967220500 KWXGQGADDUKPJL-ZIAGYGMSSA-N 347.375 -0.352 5 20 EBBD O=C(N[C@H]1[C@@H]2CN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 976477648 ODNLVISDNBSMJO-FUTKKQLCSA-N 347.331 -0.873 5 20 EBBD CN(C)Cc1ccoc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991292688 HMDNXUKHCCAEBN-VXGBXAGGSA-N 336.348 -0.053 5 20 EBBD CCc1[nH]ccc1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057543608 PSLUOVDMKIJFKU-DGCLKSJQSA-N 338.364 -0.207 5 20 EBBD CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CCCn1ccnn1 1101816787 ZVJHWMBUHRVSBJ-UHFFFAOYSA-N 349.355 -0.091 5 20 EBBD CNC(=O)NCC(=O)N(C)CCCNc1ccnc(O)c1[N+](=O)[O-] 1109656815 LVMLFNKXFDGHAH-UHFFFAOYSA-N 340.340 -0.115 5 20 EBBD CCn1cc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)c([N+](=O)[O-])n1 1261796203 SMGADBWGLZAWST-IUCAKERBSA-N 334.354 -0.968 5 20 EBBD Cc1c([C@@H](C)NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cnn1C 1321612868 YPZOZRTZXWWEJU-SECBINFHSA-N 349.351 -0.173 5 20 EBBD C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)C[C@H](CO)O1 1603939573 MYCPVSSTZIHKMD-JGVFFNPUSA-N 335.324 -0.057 5 20 EBBD CN(COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])S(C)(=O)=O 270689559 XEXYVAUECZLMBQ-UHFFFAOYSA-N 339.351 -0.530 5 20 EBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@@H](O)C1 280942698 LNJIOVKWGFGPKH-SNVBAGLBSA-N 343.361 -0.144 5 20 EBBD CN1CCN(C)[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 332571831 XJSRRIASAGRNAB-NSHDSACASA-N 325.373 -0.664 5 20 EBBD Nc1nc(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]cc1[N+](=O)[O-] 338390443 STOXMLKBJXJGHU-UHFFFAOYSA-N 338.349 -0.309 5 20 EBBD CCOC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 352954648 SLTFNQNMKDWKLK-SNVBAGLBSA-N 332.334 -0.062 5 20 EBBD CCN[C@H](C)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 423603039 GUIHYBQRDFNJOM-SNVBAGLBSA-N 344.393 -0.013 5 20 EBBD COC(=O)Cc1nnn(C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 432725656 ATUAFZFGWYFLOE-VIFPVBQESA-N 337.292 -0.263 5 20 EBBD COC(=O)Cn1cc(CNC(=O)c2cccc([N+](=O)[O-])c2O)nn1 442253803 HUNQRPKPFUYVPB-UHFFFAOYSA-N 335.276 -0.005 5 20 EBBD C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)S(N)(=O)=O 442345711 FHBBDDBMBPNAFJ-SSDOTTSWSA-N 330.322 -0.674 5 20 EBBD COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 447928893 FZMGLWARILBJOB-SNVBAGLBSA-N 343.317 -0.743 5 20 EBBD COC(=O)[C@@H](CF)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 489648771 BCSIIRXPQLMXFY-SSDOTTSWSA-N 349.296 -0.517 5 20 EBBD N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O 580097030 XUZAJGWYQKAMBA-JGVFFNPUSA-N 346.390 -0.411 5 20 EBBD COC(=O)[C@@H]1CNCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] 592388859 OVSOITQEMOACKL-VIFPVBQESA-N 344.349 -0.485 5 20 EBBD CC(C)(C)n1nnc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 594111419 NPQRTMWYNRIKLM-UHFFFAOYSA-N 335.324 -0.186 5 20 EBBD O=C1CN(C(=O)Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)CCN1 600554847 ZMQJEYHIVVLAQA-UHFFFAOYSA-N 348.294 -0.049 5 20 EBBD COc1cccc(S(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 746468345 GCDLSZSONXSVDR-UHFFFAOYSA-N 341.305 -0.300 5 20 EBBD O=C(NC(CO)CO)c1cc([N+](=O)[O-])ccc1N1CCOCC1 755686524 IQSXNQPHERFUTF-UHFFFAOYSA-N 325.321 -0.486 5 20 EBBD COc1ccc(S(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1 759801492 OMTRDIRUXWAPGC-UHFFFAOYSA-N 342.293 -0.905 5 20 EBBD O=C(CO)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 765263820 SOYAPACEEUFHEA-UHFFFAOYSA-N 341.295 -0.224 5 20 EBBD O=C(CN1CCOCC1)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 778638945 HNWIMFDWQXIQGZ-UHFFFAOYSA-N 335.363 -0.207 5 20 EBBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 801917109 QHVXJKLHLCOUHN-JTQLQIEISA-N 337.267 -0.308 5 20 EBBD CCNC(=O)CNS(=O)(=O)c1cccc(C(=O)O)c1[N+](=O)[O-] 844885861 WMVKZUJNQRCGJG-UHFFFAOYSA-N 331.306 -0.293 5 20 EBBD CCOC(=O)CN(C)C(=O)COC(=O)c1ccnc(N)c1[N+](=O)[O-] 848787722 RXQHVPVOEXFKQX-UHFFFAOYSA-N 340.292 -0.250 5 20 EBBD Cc1c[nH]c(C(=O)N2CCOC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n1 965391742 JJQLNTJIBXMDMQ-GHMZBOCLSA-N 349.347 -0.563 5 20 EBBD Cn1ncc2cc(C(=O)N3CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)cnc21 991292943 KLTGGPWVFWFJFC-VXGBXAGGSA-N 344.331 -0.426 5 20 EBBD COCC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042978032 GWFOJVJMENONHF-GHMZBOCLSA-N 343.380 -0.596 5 20 EBBD Nc1nc(N2CCN(C(=O)c3cccnn3)CC2)ncc1[N+](=O)[O-] 1055878917 XPVKXBVMQWUSSH-UHFFFAOYSA-N 330.308 -0.281 5 20 EBBD O=C(NCC1(O)CCN(C(=O)c2ncccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1074689887 QABGXSWBTFGMDL-GHMZBOCLSA-N 349.347 -0.775 5 20 EBBD O=C(NC[C@H]1C[C@@H](NCc2nnnn2C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1086082812 DYHJKCPXGGKDSI-RBLKWDMZSA-N 335.368 -0.342 5 20 EBBD CC(C)CNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1147508560 ZVKZVMZLHUVHPE-CHWSQXEVSA-N 338.408 -0.042 5 20 EBBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)NC[C@H]2C1 1321461597 SBTBEJOOVJWLPN-LBPRGKRZSA-N 347.331 -0.553 5 20 EBBD CCN(CC)C(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 48322171 VVMRMEZKRFRZQR-UHFFFAOYSA-N 339.356 -0.208 5 20 EBBD COC(=O)[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 321970142 ROKDREDSSJYBOZ-NSHDSACASA-N 345.333 -0.380 5 20 EBBD CCn1cc(S(=O)(=O)NCc2ccc(C(N)=O)o2)c([N+](=O)[O-])n1 339048899 QUTQWDPGLXIKBZ-UHFFFAOYSA-N 343.321 -0.018 5 20 EBBD Cn1cc(N2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2=O)cn1 356728140 JQVWKNMZXKLGJP-UHFFFAOYSA-N 333.308 -0.449 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCNC(=O)c1cc[nH]n1 357111126 MOWRBLZLKRWHTA-UHFFFAOYSA-N 334.292 -0.974 5 20 EBBD CNC(=O)Cn1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 357832618 SODFBGNZVLMHHZ-UHFFFAOYSA-N 336.312 -0.445 5 20 EBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] 358910601 WPVWSRNSFKJKDN-ZETCQYMHSA-N 346.321 -0.961 5 20 EBBD CCC[C@@H](O)[C@@H](CO)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 412516708 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CS(=O)(=O)N1CCN(CCNc2cccnc2[N+](=O)[O-])CC1 604432813 MSGSVSQIYJRLSE-UHFFFAOYSA-N 329.382 -0.021 5 20 EBBD O=C(COC(=O)C[C@@H]1NC(=O)NC1=O)Nc1ccccc1[N+](=O)[O-] 779104331 LHGWMOXGIXXAIS-QMMMGPOBSA-N 336.260 -0.325 5 20 EBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@](O)(C(=O)O)C1 819094459 KUHJYGDDUANXCU-GFCCVEGCSA-N 346.317 -0.187 5 20 EBBD COC(=O)N(C)CC(=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851328182 ZRMGSTPXLJJRQD-UHFFFAOYSA-N 332.294 -0.507 5 20 EBBD O=C(Cc1ccc[nH]1)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 965380483 JHBJPRFTCZDCOT-CHWSQXEVSA-N 348.359 -0.338 5 20 EBBD Cn1ccc(=O)c(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)c1 976898021 WJMYDWUQNUBSEF-HRKIMZGRSA-N 346.343 -0.763 5 20 EBBD Cn1ncc(C2CC2)c1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 993280367 CWHPCCRVMHADNN-ZYHUDNBSSA-N 333.348 -0.097 5 20 EBBD COCc1nocc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1003254738 FMSLWNWDFLOHKY-BXKDBHETSA-N 338.320 -0.326 5 20 EBBD NC(=O)c1ccc(CN2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)cc1 1025775295 MQVFYDKYDYPNOH-QMIVOQANSA-N 344.371 -0.003 5 20 EBBD O=C(NCC1(O)CN(C(=O)CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042978021 GOXXKUJZLZUEEU-NXEZZACHSA-N 347.318 -0.224 5 20 EBBD CCn1cc(C(=O)N(C)C2CN(Cc3c([N+](=O)[O-])ncn3C)C2)nn1 1044108739 UZAAEPXWICBQKE-UHFFFAOYSA-N 348.367 -0.104 5 20 EBBD O=C(NCCN(CCO)C(=O)/C=C\c1ccco1)[C@@H]1C[C@H]1[N+](=O)[O-] 1056819598 KUELSNDOTJIGMO-FGTRRKKMSA-N 337.332 -0.105 5 20 EBBD Nc1nc(NCCNC(=O)c2cn(CC3CC3)nn2)ncc1[N+](=O)[O-] 1093814902 IPNPPPRHSTVSRY-UHFFFAOYSA-N 347.339 -0.190 5 20 EBBD CCc1c(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)nnn1CC 1094136781 ACTDERGWBSTVFQ-UHFFFAOYSA-N 349.355 -0.017 5 20 EBBD Cc1cnc(N(C)CCCNC(=O)Cn2cnnn2)c([N+](=O)[O-])c1 1095485204 IKXMALIDAGRHQS-UHFFFAOYSA-N 334.340 -0.073 5 20 EBBD CCN(CCNC(=O)Cc1ccn(C)n1)c1ncc([N+](=O)[O-])c(N)n1 1100515109 BUTPUXAAYQBWSK-UHFFFAOYSA-N 348.367 -0.114 5 20 EBBD CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)c1nccnc1N 1106711894 UUGREGWCSFGWBB-UHFFFAOYSA-N 347.339 -0.087 5 20 EBBD Cn1cnc(C(=O)NC/C=C/CNc2ncc([N+](=O)[O-])c(N)n2)n1 1107152062 XDLJWWHBICEKSM-NSCUHMNNSA-N 333.312 -0.506 5 20 EBBD CNS(=O)(=O)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 1110148637 NALJQFZTORDTMI-UHFFFAOYSA-N 343.365 -0.400 5 20 EBBD CCOC(=O)[C@H]1CNCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C 1327086945 HSGXNBBAIDXFHV-LLVKDONJSA-N 339.352 -0.147 5 20 EBBD Cc1nn(C)c(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)c1[N+](=O)[O-] 1600768375 UYGKCKCXZJHUIC-ZETCQYMHSA-N 325.281 -0.996 5 20 EBBD O=C(O)C[C@]1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCOC1 1601927298 FMBKKOKHQOGJDB-CYBMUJFWSA-N 325.277 -0.494 5 20 EBBD CC(=O)NCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H](C)C(=O)O 262186580 GHAQIBZTFVXYGA-SECBINFHSA-N 341.324 -0.381 5 20 EBBD CC(=O)NCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H](C)C(=O)O 262249960 QHFLXVCNIJUXPQ-MRVPVSSYSA-N 341.324 -0.462 5 20 EBBD NS(=O)(=O)c1cccc(NC[C@@H]2CN3CCN2CC3)c1[N+](=O)[O-] 273514888 VLOQNWPTYWUXHK-SNVBAGLBSA-N 341.393 -0.346 5 20 EBBD NS(=O)(=O)N1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1 286238082 UNNFUWHUONFERE-UHFFFAOYSA-N 344.378 -0.075 5 20 EBBD C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[S@@](=O)C1 332242732 ATNGPSAHYALEEM-ZQJOYCHOSA-N 327.362 -0.017 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCCS1(=O)=O 354502826 FUEZDRVVOKYIFR-UHFFFAOYSA-N 345.381 -0.358 5 20 EBBD CN1CC[C@](O)(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 358306914 NNAVDNKYWLMUPU-LBPRGKRZSA-N 330.366 -0.279 5 20 EBBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 362572080 DHZKLBMQWDMTDX-JTQLQIEISA-N 334.288 -0.020 5 20 EBBD O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(Cc3ncc[nH]3)CC2)c1 438726093 RQBSPKMJGGHDSM-CYBMUJFWSA-N 335.368 -0.307 5 20 EBBD CS(=O)(=O)N1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 564661795 VROMWWCIJVIJMW-SECBINFHSA-N 331.354 -0.669 5 20 EBBD CN1C(=O)CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1=O 570760537 JYUHCVCXKHPJMG-UHFFFAOYSA-N 344.287 -0.384 5 20 EBBD Cc1cc(OCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)ccc1[N+](=O)[O-] 574701401 BKNDALCJCTXVPD-ZYHUDNBSSA-N 344.345 -0.444 5 20 EBBD CCNC(=O)N1CC[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 575174896 YLOJTTWHDJAKIT-JQWIXIFHSA-N 326.357 -0.454 5 20 EBBD NC(=O)C1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCOCC1 594747010 BCKREOWGHBCAHU-UHFFFAOYSA-N 344.349 -0.450 5 20 EBBD COc1cc([N+](=O)[O-])ccc1C(=O)NS(=O)(=O)c1cnnn1C 755849303 JKKHMEQHWXHQOH-UHFFFAOYSA-N 341.305 -0.149 5 20 EBBD CCOC(=O)NCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847892829 HERNUZHNUZKTBA-UHFFFAOYSA-N 346.321 -0.069 5 20 EBBD COc1nc(C)ncc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 973253993 DUDVXMKCJPWMQL-DNRKLUKYSA-N 349.347 -0.164 5 20 EBBD O=C(NC1CN(C(=O)c2ccc3cccnn23)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991289381 CSJHSTNSQWFUCA-DGCLKSJQSA-N 329.316 -0.060 5 20 EBBD O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc2c(n1)OCCO2 996345717 FLSXBROAOOZMGB-MWLCHTKSSA-N 348.315 -0.541 5 20 EBBD Cn1ncc(C(=O)N2CCCC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n1 1010653919 ZRFHQZJPOUZNST-ZYHUDNBSSA-N 348.363 -0.455 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)c2cc(=O)n(C)cn2)C1 1030465388 NIGYDOBCZQLFAG-UHFFFAOYSA-N 347.335 -0.964 5 20 EBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(CCN(Cc3nc(O)n[nH]3)CC2)C1 1050517593 VVSJNWANKFPLBP-NXEZZACHSA-N 336.352 -0.400 5 20 EBBD Cn1cc(C(=O)NCCNc2ccnc(O)c2[N+](=O)[O-])ncc1=O 1094292117 TXRHXEWGNHYLPA-UHFFFAOYSA-N 334.292 -0.369 5 20 EBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(N(CCO)Cc2ncccn2)CC1 1098365980 SXRLWTVUERQCQC-ZIAGYGMSSA-N 349.391 -0.073 5 20 EBBD CCN(CCNC(=O)CCn1ccnn1)c1ncc([N+](=O)[O-])c(N)n1 1100520530 JLTLZZRYIONZTC-UHFFFAOYSA-N 349.355 -0.409 5 20 EBBD COCC(=O)NC1(CO)CCN(c2ccnc(O)c2[N+](=O)[O-])CC1 1112643991 BBOGMCUQQQRRAY-UHFFFAOYSA-N 340.336 -0.211 5 20 EBBD CC(C)(C)n1nnc(CCNCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1126936783 RMWIXJCYMUICMY-NXEZZACHSA-N 325.373 -0.658 5 20 EBBD O=C(O)[C@H](O)C1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 1601686717 DBFCPWCEDPYJKM-SNVBAGLBSA-N 345.333 -0.164 5 20 EBBD CS(=O)(=O)NCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 54644548 FNXMAQXBTZLDFZ-UHFFFAOYSA-N 330.366 -0.014 5 20 EBBD COC(=O)CNC(=O)CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 56010674 XTPZXICBDCVCMS-UHFFFAOYSA-N 345.333 -0.529 5 20 EBBD CCS(=O)(=O)N(C)CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 65780556 MWBVLZUSFNXHDH-UHFFFAOYSA-N 347.397 -0.031 5 20 EBBD NC(=O)[C@H]1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])O1 268286122 CJWALXHRCMSGBW-RDDDGLTNSA-N 344.349 -0.313 5 20 EBBD COCCN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1=O 271108327 YEERCXYUSSTXBN-UHFFFAOYSA-N 336.348 -0.016 5 20 EBBD COC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 272232040 MCPPJWRNRCXCRJ-KWQFWETISA-N 339.304 -0.637 5 20 EBBD O=C1CN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1 273704248 DHTAYDCSJGLNQT-UHFFFAOYSA-N 328.350 -0.695 5 20 EBBD COC(=O)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])OC 292251781 KEZASXLUGWRAKV-SNVBAGLBSA-N 333.322 -0.158 5 20 EBBD CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(S(C)(=O)=O)C1 293631277 CTZBGMGUVWVMPE-JTQLQIEISA-N 345.381 -0.326 5 20 EBBD C[C@H](O)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 344777016 NTTHNUWSCDAMTG-QMMMGPOBSA-N 331.350 -0.093 5 20 EBBD CCS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 346059449 BYFFUCULYDDWPL-QMMMGPOBSA-N 331.354 -0.186 5 20 EBBD CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 358903018 OANDJQXMOWLMTH-ZETCQYMHSA-N 337.741 -0.367 5 20 EBBD CNS(=O)(=O)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 435363239 KCZIMLBQTHUAQM-VIFPVBQESA-N 343.365 -0.448 5 20 EBBD NC(=O)[C@@]1(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCOC1 563638971 VTBAODFJUPAIGY-CYBMUJFWSA-N 343.361 -0.299 5 20 EBBD NS(=O)(=O)c1cc(N2CCO[C@H](C(=O)O)C2)cc([N+](=O)[O-])c1 572647481 OAPBSPMKVJKQLM-JTQLQIEISA-N 331.306 -0.468 5 20 EBBD Cc1nc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c(C(=O)NCCO)n1C 597560179 PUOWMLUOWKQRPU-UHFFFAOYSA-N 337.296 -0.666 5 20 EBBD CC(=O)NCC(=O)NCC(=O)OCCOc1ccc([N+](=O)[O-])cc1 742888168 FNZUNHCJRIEANG-UHFFFAOYSA-N 339.304 -0.231 5 20 EBBD COCCN(C)S(=O)(=O)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 757322560 HTLDNECUFTVGCD-UHFFFAOYSA-N 332.338 -0.270 5 20 EBBD COC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(N)=O 760060230 KBIODMJIJSRONL-VIFPVBQESA-N 325.277 -0.404 5 20 EBBD COc1cc(S(=O)(=O)NC(=O)COCC(=O)O)ccc1[N+](=O)[O-] 863956847 UNNQFMWJMOBJIU-UHFFFAOYSA-N 348.289 -0.491 5 20 EBBD CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)C(C)(C)C(N)=O)CC1 956366193 AIVAENYAXXZSPN-NXEZZACHSA-N 340.380 -0.340 5 20 EBBD O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cccc2ncnn12 974111400 NCBTTWIWKSKBKF-DTHBNOIPSA-N 344.331 -0.229 5 20 EBBD Cn1cnc(C(=O)N2CC3(CCCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 1010642913 JUXFESSSLIKXJY-GHMZBOCLSA-N 348.363 -0.455 5 20 EBBD CCOc1cnc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1011112810 MRBHCORKFVPABR-ZYHUDNBSSA-N 349.347 -0.175 5 20 EBBD CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(CCS(C)(=O)=O)CC1 1045436432 RJMILHDUDYJJJV-GHMZBOCLSA-N 333.410 -0.333 5 20 EBBD NC(=O)C(=O)N1CCOC2(CN(Cc3csc([N+](=O)[O-])c3)C2)C1 1053404752 UZGBEVIODITDRU-UHFFFAOYSA-N 340.361 -0.445 5 20 EBBD Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(O)c4[N+](=O)[O-])C[C@@H]32)n1 1060405148 RVGCECXUAVORHA-MBTKJCJQSA-N 345.319 -0.312 5 20 EBBD O=C(NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnco1 1074584701 STGFCEALCRRUMH-NXEZZACHSA-N 338.320 -0.577 5 20 EBBD O=C(CN1C(=O)CNC1=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 1107188580 PGTYPWZCRCVLJX-UPHRSURJSA-N 348.319 -0.374 5 20 EBBD CS(=O)(=O)N1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 1117647130 GOHWISJCFHLOIJ-UHFFFAOYSA-N 343.365 -0.440 5 20 EBBD CCn1ncc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)n1 1157521125 RUTREMFXFYLGGT-UHFFFAOYSA-N 336.356 -0.151 5 20 EBBD C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1323668062 NAAMLEAOGAMPNP-WDEREUQCSA-N 339.352 -0.331 5 20 EBBD CNC(=O)N[C@@H]1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 1591210106 QAOHHHMIXXTCDJ-MRVPVSSYSA-N 333.312 -0.322 5 20 EBBD COc1ccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] 273006298 YJCCZRQZKZSUAB-QMMMGPOBSA-N 336.304 -0.124 5 20 EBBD COC(=O)CC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)OC 276878293 OYTWBAWNLAQCBC-SNVBAGLBSA-N 342.308 -0.208 5 20 EBBD Cc1cc(C(=O)NCC(=O)N2CC(CC(N)=O)C2)ccc1[N+](=O)[O-] 280629186 SJNNNJXQDZGKEO-UHFFFAOYSA-N 334.332 -0.033 5 20 EBBD CN(C)S(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1O 297013574 HPXNGEYORMQBHK-UHFFFAOYSA-N 332.338 -0.574 5 20 EBBD Cc1cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cc([N+](=O)[O-])c1C 319819500 LVMAGRNFOBPNIL-VIFPVBQESA-N 345.333 -0.181 5 20 EBBD COCC[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(N)=O 343295851 DXCKFEOSCVLKOZ-NSHDSACASA-N 348.319 -0.204 5 20 EBBD COc1ccc(C(=O)NCC(=O)NCc2ncn(C)n2)cc1[N+](=O)[O-] 351544592 IVJFYEQDDDRKRR-UHFFFAOYSA-N 348.319 -0.222 5 20 EBBD Cc1c(CNC(=O)C(=O)N2CCNC(=O)[C@H]2C)cccc1[N+](=O)[O-] 360287884 YIDSGZPKKUPCAG-SNVBAGLBSA-N 334.332 -0.134 5 20 EBBD CN=c1[nH]ccc(C(=O)N(C)CC(=O)N=c2cc(C)o[nH]2)c1[N+](=O)[O-] 578922560 QRCRSWHFKCOEKC-UHFFFAOYSA-N 348.319 -0.118 5 20 EBBD CN(C(=O)[C@H]1CSCN1C(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 604531653 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O=C(NC[C@]1(O)CCOC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 351574709 CEABXYHIQMCAKL-CYBMUJFWSA-N 327.268 -0.060 5 20 EBBD COc1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] 360783743 YPWXPGYMPGLEST-SECBINFHSA-N 336.304 -0.063 5 20 EBBD COC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 416519208 DUFDWNWHEJWUBZ-MRVPVSSYSA-N 348.333 -0.333 5 20 EBBD CCn1cc(S(=O)(=O)NCCN2CCCOCC2)c([N+](=O)[O-])n1 445723385 LADXBDAMHJYKHL-UHFFFAOYSA-N 347.397 -0.188 5 20 EBBD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cn1ccc([N+](=O)[O-])n1 488276858 FILXTAOVSKUMGI-BDAKNGLRSA-N 341.324 -0.636 5 20 EBBD COC(=O)NCCNS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 496647902 XFOYKTJBWYXJAY-UHFFFAOYSA-N 347.305 -0.073 5 20 EBBD O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCn2c(O)nnc2C1 545226990 QMFZNNBZZWDGHR-UHFFFAOYSA-N 326.294 -0.509 5 20 EBBD Cc1nn(CCC(=O)N[C@]2(C(N)=O)CCOC2)c(C)c1[N+](=O)[O-] 565210072 WAVQWLISTQTBBG-CYBMUJFWSA-N 325.325 -0.441 5 20 EBBD C[C@@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cccc([N+](=O)[O-])c1 566748452 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Cc1nn(C)c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c1[N+](=O)[O-] 920658660 JEEVMFKLLLTRLA-UHFFFAOYSA-N 337.292 -0.609 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cccc(=O)n2C)C1 954243254 NODGSPCOOGUGQO-ZYHUDNBSSA-N 334.332 -0.667 5 20 EBBD Cn1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O 974115659 PBYUFCIAKJJCGT-WRWGMCAJSA-N 334.332 -0.573 5 20 EBBD Cc1ccc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 1042979317 YBUFWLBVCXXGIY-ZIAGYGMSSA-N 347.371 -0.108 5 20 EBBD O=C(NCCN(CCO)C(=O)c1ccncc1F)[C@@H]1C[C@H]1[N+](=O)[O-] 1057257406 AKGDXKBXJIPASM-ZYHUDNBSSA-N 340.311 -0.563 5 20 EBBD COCC1(CC(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1057543549 NVYDJPCMDPAKHP-VXGBXAGGSA-N 343.380 -0.595 5 20 EBBD O=C(CC1OCCCO1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1062989228 UTMRQGSBGPYCJW-GHMZBOCLSA-N 341.364 -0.040 5 20 EBBD CN(CCNC(=O)CN(C)S(C)(=O)=O)c1ncccc1[N+](=O)[O-] 1100375065 QFEMKFRKXSHOGB-UHFFFAOYSA-N 345.381 -0.566 5 20 EBBD CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)Cn1ccc(O)nc1=O 1101853465 ISTSLZBORDOKAF-UHFFFAOYSA-N 348.319 -0.177 5 20 EBBD CN(CCOCCNC(=O)Cc1nc[nH]n1)c1ccc([N+](=O)[O-])cn1 1115225810 FPLWXKXMAZADTL-UHFFFAOYSA-N 349.351 -0.080 5 20 EBBD CN(CCOCCN)C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] 1329437563 KTHXTILOAFEJTB-UHFFFAOYSA-N 338.364 -0.313 5 20 EBBD C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 261828214 MZVGYVFVSLLFGF-SNVBAGLBSA-N 342.377 -0.225 5 20 EBBD Cn1cc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3O)C2=O)cn1 265427699 ZODYOZSPYKNUOB-LLVKDONJSA-N 346.303 -0.036 5 20 EBBD COC(=O)[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C(=O)OC)C1 273036297 UMNQJDPKOZYHDT-HTQZYQBOSA-N 340.292 -0.115 5 20 EBBD COCCNC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C 298317691 QOSFZWFKPJQLAO-UHFFFAOYSA-N 331.350 -0.056 5 20 EBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C(N)=O)C1 298902188 BQBJESTVVVHQCX-QMMMGPOBSA-N 336.304 -0.124 5 20 EBBD COC(=O)[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccc(O)c1 343132372 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CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 428077135 OIZIPZULAVOWDH-HTQZYQBOSA-N 341.324 -0.188 5 20 EBBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 442033112 XJTFPZWMHHVGIN-JTQLQIEISA-N 347.287 -0.704 5 20 EBBD CC(C)(CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)S(C)(=O)=O 575116724 KKLHBVSSYUAMKJ-LLVKDONJSA-N 334.398 -0.045 5 20 EBBD C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](O)C(N)=O 597583438 DQLOVMAREMMAAJ-MUWHJKNJSA-N 331.712 -0.022 5 20 EBBD Cn1c(=O)c2cc(C(=O)OCC(C)(C)[N+](=O)[O-])n(C)c2n(C)c1=O 851127922 AZFJEEZNMBBICB-UHFFFAOYSA-N 338.320 -0.212 5 20 EBBD NC(=O)CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 944371212 TWDNAHYXSLBCCC-GHMZBOCLSA-N 338.364 -0.632 5 20 EBBD Cn1ncc(C(=O)N2CCC3(CC2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n1 944981037 FHKREBMKNKTMSO-ZYHUDNBSSA-N 348.363 -0.455 5 20 EBBD O=C(c1ccoc1)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 965376876 WCZDIQADURTQIY-VXGBXAGGSA-N 335.316 -0.002 5 20 EBBD 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343.361 -0.239 5 20 EBBD C[C@H](O)C[C@@H]1COCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 274552349 UYZBZVNGSHMSDU-WDEREUQCSA-N 327.341 -0.027 5 20 EBBD COC(=O)[C@@H]1C[C@H](O)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] 276710598 ZMSZZUZTFXGTAL-GVXVVHGQSA-N 340.332 -0.057 5 20 EBBD CC(C)(CO)ONC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 296734804 AIPHEHAUJQYUDW-UHFFFAOYSA-N 347.349 -0.308 5 20 EBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cn(CC(N)=O)nn1 343650446 XOHPOSKLHNKRKE-UHFFFAOYSA-N 334.292 -0.390 5 20 EBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1COC[C@@H]1O 356917686 LJMLHBPZTOGIAU-MNOVXSKESA-N 339.304 -0.240 5 20 EBBD CNC(=O)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 357865697 QSFGVJAMUFLFHT-UHFFFAOYSA-N 329.334 -0.136 5 20 EBBD Cn1nnc(CNC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)n1 426406763 RIUDDJYFJOREJY-UHFFFAOYSA-N 331.296 -0.006 5 20 EBBD O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H]2CCCN2CCCO)c1 516467998 MIHMDBLTQSZGII-GXTWGEPZSA-N 327.385 -0.411 5 20 EBBD COC(=O)C[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 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EBBD O=C1CN(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1 1055982277 OULUJOPMYNLOFJ-UHFFFAOYSA-N 348.363 -0.930 5 20 EBBD CN(Cc1ccccc1CNC(=O)C(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1060518013 JOEMFFYUBFMOIE-VXGBXAGGSA-N 334.332 -0.588 5 20 EBBD CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1079646698 KHCHUQCEJZTEDN-GHMZBOCLSA-N 326.353 -0.763 5 20 EBBD NC(=O)c1ccnc(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)c1 1093717841 SDRTWAATBRYQIQ-UHFFFAOYSA-N 346.307 -0.697 5 20 EBBD CNS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 1097033092 VRWGFLJQCUFNHZ-KYZUINATSA-N 343.365 -0.402 5 20 EBBD C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1256994066 YNQTURUVTAASGI-SNVBAGLBSA-N 334.332 -0.100 5 20 EBBD Cc1nn(C)c(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1[N+](=O)[O-] 1318944382 XJUHIQILKXTJFL-UHFFFAOYSA-N 332.320 -0.071 5 20 EBBD C[C@H](c1nnc(N2CCC[C@@H](NS(C)(=O)=O)C2)n1C)[N+](=O)[O-] 1347533499 AKRQBKOMZBWJQP-RKDXNWHRSA-N 332.386 -0.329 5 20 EBBD 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C[C@@H](OC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C(=O)NC(N)=O 731734209 ACGKDWKLTASOJV-SSDOTTSWSA-N 339.260 -0.087 5 20 EBBD COC(=O)NCCC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847892907 KDTLJORLIRJDBA-UHFFFAOYSA-N 332.294 -0.459 5 20 EBBD Cn1cnc(C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1017429279 DKCRKNOCPFOEAW-GHMZBOCLSA-N 334.336 -0.631 5 20 EBBD O=C(Cn1c(O)nnc1O)NC1CN(Cc2cccc([N+](=O)[O-])c2)C1 1031315071 SPYMWDAECODKMQ-UHFFFAOYSA-N 348.319 -0.402 5 20 EBBD O=C(NCC1(O)CN(C(=O)c2occ3c2CCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042978258 KBEDKTMVBFJNPH-VXGBXAGGSA-N 349.343 -0.263 5 20 EBBD O=C(CN1CCOCC1=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 1059867116 XAHKHPYMUFPXBV-PHIMTYICSA-N 349.347 -0.092 5 20 EBBD CC(=O)NCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1060730005 UWIDLJIHLBMMHL-FDYHWXHSSA-N 340.380 -0.421 5 20 EBBD CC1(NC(=O)c2nc[nH]n2)CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 1065085980 BVUHJXZHJQSCFJ-UHFFFAOYSA-N 347.339 -0.126 5 20 EBBD NC(=O)C(=O)NCc1nc(O)cc(CNc2ccccc2[N+](=O)[O-])n1 1091718488 SHAOYHFLNGQKDD-UHFFFAOYSA-N 346.303 -0.196 5 20 EBBD Cn1cc(C(=O)NCCNc2ncccc2[N+](=O)[O-])c(=O)n(C)c1=O 1093865157 MIRFKEBRCRMGOU-UHFFFAOYSA-N 348.319 -0.771 5 20 EBBD CN(CCNc1ccnc(O)c1[N+](=O)[O-])C(=O)c1c[nH]c(=O)cn1 1101935347 NEIQCNCIAKTHAF-UHFFFAOYSA-N 334.292 -0.037 5 20 EBBD CCC(=O)NCC(=O)N(CCO)CCNc1ccc([N+](=O)[O-])cn1 1111429716 XQGXUHONPMBXPI-UHFFFAOYSA-N 339.352 -0.251 5 20 EBBD CN(CCOCCNC(=O)C(N)=O)c1ncc([N+](=O)[O-])cc1F 1115250402 MPNCBZOXKOCDCD-UHFFFAOYSA-N 329.288 -0.817 5 20 EBBD CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1319596134 FHFMLOOFRXXVGX-MRVPVSSYSA-N 331.354 -0.281 5 20 EBBD CS(=O)(=O)c1ccc(-n2cnc(-c3nn[nH]n3)n2)c([N+](=O)[O-])c1 1591680784 VHKYSSNLGXBKTG-UHFFFAOYSA-N 336.293 -0.241 5 20 EBBD Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(-c2nn[nH]n2)cn1 1606277212 OWEROWVWUFLSTN-UHFFFAOYSA-N 329.280 -0.167 5 20 EBBD Cn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCN(CCC(=O)O)C2=O)n1 1608122544 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COCC(=O)N1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 330614087 SNYGTLIHHQNWLC-UHFFFAOYSA-N 325.325 -0.432 5 20 EBBD NS(=O)(=O)[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 340350862 NYQHHBWQEJVGKF-NSHDSACASA-N 349.390 -0.213 5 20 EBBD Cc1[nH]nc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1[N+](=O)[O-] 344429174 QGUZENIHCMUIMD-SECBINFHSA-N 333.308 -0.105 5 20 EBBD O=C1NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 354080143 QCLMNOCSWAGLPR-JTQLQIEISA-N 340.317 -0.481 5 20 EBBD CN1CC[C@](O)(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 358076663 WKLKHTARTPDGKU-HNNXBMFYSA-N 346.347 -0.028 5 20 EBBD CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])S1(=O)=O 496046027 TZVSGOQXXMTBES-HTQZYQBOSA-N 335.338 -0.024 5 20 EBBD COC(=O)c1ccnc(N2CCN3C(=O)NC(=O)[C@H]3C2)c1[N+](=O)[O-] 598614081 NWBOKVUNTNOWGH-MRVPVSSYSA-N 335.276 -0.483 5 20 EBBD O=C(Cn1ccc([N+](=O)[O-])n1)NS(=O)(=O)Cc1cccnc1 766911131 WCJYVJZAKCLGQT-UHFFFAOYSA-N 325.306 -0.168 5 20 EBBD C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O 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CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 346407101 NVDCNFOCBLBIFT-MRVPVSSYSA-N 346.369 -0.682 5 20 EBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C 352887879 KXBWHONLGHNKRQ-MRVPVSSYSA-N 339.308 -0.860 5 20 EBBD C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C(N)=O)O1 371941725 DKNDTVUDCWESBP-KCJUWKMLSA-N 329.334 -0.142 5 20 EBBD O=C(CN1CCN(C(=O)C(=O)O)CC1)Nc1ccccc1[N+](=O)[O-] 396746067 YPUKCNYIHDYHLH-UHFFFAOYSA-N 336.304 -0.238 5 20 EBBD CNc1nccc(C(=O)N[C@@H](C(=O)OC)c2ccn(C)n2)c1[N+](=O)[O-] 568777652 DERSLGBYZPDFJU-SNVBAGLBSA-N 348.319 0.409 5 20 EBBD CS(=O)(=O)c1cc(C(=O)NCc2nn[nH]n2)cc([N+](=O)[O-])c1 609493416 GFLPKQPGZYJGFL-UHFFFAOYSA-N 326.294 -0.559 5 20 EBBD NC(=O)CN1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 729344577 FJBJEMNHURPNFK-UHFFFAOYSA-N 346.347 -0.426 5 20 EBBD O=C(CCn1cc([N+](=O)[O-])cn1)NS(=O)(=O)C[C@@H]1CCCO1 781512059 RTNOKYWRHVCZPB-JTQLQIEISA-N 332.338 -0.194 5 20 EBBD CN(C(=O)c1cnc2cccnn12)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954306208 HWLMSBWRPNKJJZ-GHMZBOCLSA-N 344.331 -0.323 5 20 EBBD Cn1ncc(C2CC2)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991298120 XBPZDQBPNVZEDT-ZYHUDNBSSA-N 333.348 -0.097 5 20 EBBD CCn1nnc(C)c1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1002392701 XVBLFHSNWBIVND-GHMZBOCLSA-N 336.352 -0.540 5 20 EBBD O=C(Cn1c(O)nnc1O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 1059270691 IIUIIDZNHWAKKA-ZKCHVHJHSA-N 349.307 -0.248 5 20 EBBD NC(=O)C(=O)NCc1cnn2c1CN(c1ncccc1[N+](=O)[O-])CC2 1089082126 COHKCGUQMAQKPQ-UHFFFAOYSA-N 345.319 -0.692 5 20 EBBD COc1cc(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)nn1C 1094262320 CIMGORUCWKLZCB-UHFFFAOYSA-N 336.312 -0.449 5 20 EBBD CN(CCNC(=O)c1ccc(=O)n(C)c1)c1ncc([N+](=O)[O-])c(N)n1 1100401630 GJFOMLWGIHACQN-UHFFFAOYSA-N 347.335 -0.468 5 20 EBBD Cc1nnc(CC(=O)NC/C=C/CNc2ncc([N+](=O)[O-])c(N)n2)o1 1107151043 DQWFGRHDXCYSCC-NSCUHMNNSA-N 348.323 -0.015 5 20 EBBD 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339.308 -0.627 5 20 EBBD Cc1cnc(CN2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1 1755177023 AQQOMOXYOJOPAC-CHWSQXEVSA-N 349.391 -0.107 5 20 EBBD C[C@H](CO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 298314776 IEGDVFFUXWPXKK-MRVPVSSYSA-N 346.365 -0.459 5 20 EBBD C[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H](CO)O1 344969826 AMWBXMRQIZLRHR-WPRPVWTQSA-N 331.350 -0.172 5 20 EBBD CN(CC(=O)Nc1cc[nH]n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 348638849 XMQPJRSDZNWQRM-UHFFFAOYSA-N 339.333 0.577 5 20 EBBD Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(CC(=O)NC2CC2)CC1 356503454 CSOKNSJYUHBYLD-UHFFFAOYSA-N 336.352 -0.635 5 20 EBBD C[C@@H]1CN(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)CO1 427775330 BMIAVBWLIFYKIE-NXEZZACHSA-N 333.370 -0.265 5 20 EBBD CN(C)S(=O)(=O)c1ccc(N2C[C@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 433790822 FQGVHMMHUHRCOC-TXEJJXNPSA-N 331.350 -0.613 5 20 EBBD O=C1C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CN1 543566351 YGHQGFCDJODHKY-QMMMGPOBSA-N 334.288 -0.675 5 20 EBBD COCCN1CC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 567318874 VPBYGDRDFGTUAW-SNVBAGLBSA-N 330.366 -0.011 5 20 EBBD O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)c1ccc(Cl)cn1 732614109 JLNHVJWCFJLQEY-UHFFFAOYSA-N 346.712 -0.260 5 20 EBBD Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2ncn(C)c2Cl)n1 780333337 HHHVCQPIZJYVGH-UHFFFAOYSA-N 348.728 -0.166 5 20 EBBD Cc1nnc(O)c(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1C 954242160 KWEBQKMUFGIAGL-GHMZBOCLSA-N 349.347 -0.253 5 20 EBBD CCn1nc(C)c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 973257984 PVEIYWMMMKSZIS-GWOFURMSSA-N 336.352 -0.351 5 20 EBBD O=C(NCC1CN(C(=O)c2ccc3nncn3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001809681 ZUYRTRQNBZLKCN-VXGBXAGGSA-N 344.331 -0.417 5 20 EBBD COC(=O)NCC(=O)NCCCNc1ncc([N+](=O)[O-])c(N)n1 1094334865 XCVPJXKPRYXCDM-UHFFFAOYSA-N 327.301 -0.759 5 20 EBBD CNS(=O)(=O)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 1097033023 SWXOWZUEXMNZNJ-KYZUINATSA-N 343.365 -0.402 5 20 EBBD CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CS(=O)(=O)N(C)C 1101720917 ZYBJILGDCVLVCA-UHFFFAOYSA-N 345.381 -0.249 5 20 EBBD CCC(=O)NCC(=O)N(C)CCCNc1ncc([N+](=O)[O-])c(N)n1 1109396115 PCQNGBWQHOJBLD-UHFFFAOYSA-N 339.356 -0.246 5 20 EBBD CN(CCCN(C)c1ncc([N+](=O)[O-])c(N)n1)C(=O)c1cnon1 1112111826 UUVZZCVHRABMRV-UHFFFAOYSA-N 336.312 -0.052 5 20 EBBD CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CCNC1=O 1116936787 LMFWIXPAKAILAW-VIFPVBQESA-N 341.345 -0.041 5 20 EBBD Cn1c(C[N+](=O)[O-])nnc1N1CCN(C(=O)c2ccccn2)CC1 1263501705 YPQNHYDUGUUZFP-UHFFFAOYSA-N 331.336 -0.051 5 20 EBBD CC1(C)OC[C@@H](CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)O1 1323539525 GOKTYFLBMQTSTH-SNVBAGLBSA-N 341.324 -0.825 5 20 EBBD CCn1cc(S(=O)(=O)N(C)Cc2cn(C)nn2)c([N+](=O)[O-])n1 1333161489 ASCVFJDZQMOXDK-UHFFFAOYSA-N 329.342 -0.240 5 20 EBBD COCC(=O)N1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 1515215986 LPCPRZVOVZCCRN-UHFFFAOYSA-N 326.357 -0.681 5 20 EBBD COC[C@@](C)(NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)OC 268097776 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C[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@@H](CO)O1 345043187 FWVXPDSJGJDICQ-IUCAKERBSA-N 331.350 -0.172 5 20 EBBD Cc1c([N+](=O)[O-])cc(C(=O)O)cc1S(=O)(=O)N1CCNC(=O)C1 355468059 BCEMBKVIPXKCTQ-UHFFFAOYSA-N 343.317 -0.278 5 20 EBBD NS(=O)(=O)N1CCN(c2ncnc3cccc([N+](=O)[O-])c23)CC1 357310703 SVOJUAFCGZWOEH-UHFFFAOYSA-N 338.349 -0.137 5 20 EBBD NC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(N3CC[C@H](C(N)=O)C3)n2)C1 357777917 GMCCJRGPCAILMC-UWVGGRQHSA-N 348.363 -0.387 5 20 EBBD CCOCCOC[C@@H](O)CNC(=O)c1cnc(O)c([N+](=O)[O-])c1 361624362 QNNAKZWLCFOLOG-JTQLQIEISA-N 329.309 -0.161 5 20 EBBD Cc1cc(C(=O)NCC(=O)N2CCO[C@H](CN)C2)ccc1[N+](=O)[O-] 423538447 MWYKODNDRFKRFI-GFCCVEGCSA-N 336.348 -0.181 5 20 EBBD NS(=O)(=O)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 446144394 BZGAREFRKTVHBG-UHFFFAOYSA-N 342.377 -0.125 5 20 EBBD CN1CCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])[C@H](CN)C1 562961661 LYBYABXLOJFDNO-CYBMUJFWSA-N 349.391 -0.346 5 20 EBBD CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 573264491 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CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 854713005 PKKIXXRJPVJNIE-ZETCQYMHSA-N 329.313 -0.067 5 20 EBBD COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 861986522 RHXHJNWSNYMQHI-JLIMGVALSA-N 345.377 -0.379 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cnc3cccnn23)C1 954240296 ASVAFQCQFAPYBA-GHMZBOCLSA-N 344.331 -0.323 5 20 EBBD O=C(NC1CN(C(=O)CCn2ccccc2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991288457 QGVRRZSPFMCHPJ-VXGBXAGGSA-N 334.332 -0.769 5 20 EBBD Cc1[nH]nc(Cl)c1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 993116687 APGQBMDYGBCTRQ-HTQZYQBOSA-N 327.728 -0.023 5 20 EBBD O=C(Cn1nnc2c1CCCC2)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 999947662 JIVYJEDBAFMMAG-ZWNOBZJWSA-N 348.363 -0.851 5 20 EBBD CNC(=O)CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1073013295 ZBHMGHIIJHUKFN-NXEZZACHSA-N 326.353 -0.715 5 20 EBBD O=C(NCC1(O)CCN(C(=O)c2ccnnc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1074746380 NCWSNYYZJBSCMN-VXGBXAGGSA-N 349.347 -0.775 5 20 EBBD O=C(NC[C@H]1C[C@@H](NCc2ncnn2CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1086082995 KGUMXPDNJDSXIL-WRWGMCAJSA-N 340.359 -0.103 5 20 EBBD CNC(=O)NCC(=O)N1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]2C1 1111308085 FOJHMEBWBAKEML-PHIMTYICSA-N 348.363 -0.187 5 20 EBBD C[S@@](=O)CCNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 1258221781 RMFACVODJXYDJG-JOCHJYFZSA-N 327.362 -0.252 5 20 EBBD CN(CCn1cc([N+](=O)[O-])cn1)CC(=O)N[C@H]1CCS(=O)(=O)C1 1319367310 XQKOMBXKTVIABC-JTQLQIEISA-N 345.381 -0.974 5 20 EBBD C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 1322375109 FHUBKFGBIVFRDC-NSHDSACASA-N 348.359 -0.057 5 20 EBBD CCN(CCN)C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1329241268 PHJKHXMXZYXWMN-UHFFFAOYSA-N 336.348 -0.008 5 20 EBBD O=C(O)[C@@]1(O)CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 1331952015 VODRCGBULZBYFC-GFCCVEGCSA-N 330.318 -0.054 5 20 EBBD CN1C(=O)[C@@H]2CN(C(=O)c3cc(C(=O)O)cc([N+](=O)[O-])c3)C[C@@H]2C1=O 1598556120 CHWMVHVHKHIBQZ-PHIMTYICSA-N 347.283 -0.020 5 20 EBBD 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5 20 EBBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)CNS(=O)(=O)N(C)C 597639137 HJSYMSYXMINZRV-UHFFFAOYSA-N 344.393 -0.008 5 20 EBBD COC(=O)[C@](C)(O)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598615031 QFJQNIWNMPLDTF-CYBMUJFWSA-N 341.324 -0.443 5 20 EBBD COC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 737572285 ARPMQBQHEQJKSI-LURJTMIESA-N 333.278 -0.716 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)NC[C@H]1CCCO1 744661760 JJVZPGXOTKURCH-SNVBAGLBSA-N 326.309 -0.062 5 20 EBBD O=C(CO)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 763238052 YWNGNIDMYBELCF-UHFFFAOYSA-N 338.276 -0.220 5 20 EBBD CCOC(=O)c1cc(C(=O)NC[C@H](O)C(=O)NC)cc([N+](=O)[O-])c1 763713533 XZNYYCDMBMSOID-NSHDSACASA-N 339.304 -0.392 5 20 EBBD COc1ccc(CC(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] 793902245 LZLTVZDHBVSINM-SECBINFHSA-N 336.304 -0.108 5 20 EBBD COC(=O)CN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 821662754 RGJOIHVZMAZUAT-UHFFFAOYSA-N 348.323 -0.535 5 20 EBBD O=C(O)CNC(=O)c1ccc(N2CCO[C@H](CO)C2)c([N+](=O)[O-])c1 833252026 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335.320 -0.675 5 20 EBBD Cn1cc(C(=O)NC[C@H]2C[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)nn1 1046793336 JBMCDOPNNWGVBI-ZKCHVHJHSA-N 347.339 -0.284 5 20 EBBD O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1cc[n+]([O-])cc1 1062989403 CHKUYFUMKOYYDN-VXGBXAGGSA-N 334.332 -0.246 5 20 EBBD Cc1c(C(=O)N(C)CCCNc2ncc([N+](=O)[O-])c(N)n2)nnn1C 1109418429 OCENUVRWUJVLLM-UHFFFAOYSA-N 349.355 -0.022 5 20 EBBD Cc1ccc([N+](=O)[O-])c(NCCN(CCO)C(=O)Cn2cncn2)n1 1111473521 QNPIWYNZKWNTJG-UHFFFAOYSA-N 349.351 -0.177 5 20 EBBD CCONC(=O)CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 1261535182 KDCKHAQMZKSFJR-UHFFFAOYSA-N 338.320 -0.563 5 20 EBBD Cc1c(CNC(=O)C(=O)N[C@@H]2CCN(C)C2=O)cccc1[N+](=O)[O-] 1323263291 FIEWZSLEQBJYAI-LLVKDONJSA-N 334.332 -0.134 5 20 EBBD Cn1c(C[N+](=O)[O-])nnc1N1CCN(C(=O)CN2CCCC2)CC1 1347420358 JGSWFMKPBGOGAB-UHFFFAOYSA-N 337.384 -0.664 5 20 EBBD CN(C)C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1591003165 LGISANIJHOFPAS-UHFFFAOYSA-N 347.339 -0.027 5 20 EBBD Cc1c(-c2nn[nH]n2)c(NC(=O)Cn2c([N+](=O)[O-])cnc2C)nn1C 1605465591 NOSRQDPLPDMOLC-UHFFFAOYSA-N 346.311 -0.040 5 20 EBBD CNC(=O)[C@H]1CN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CCO1 1606266578 WVWRYXWEDWHKLP-LLVKDONJSA-N 337.288 -0.120 5 20 EBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 51164314 AZRTZOMUUBJVRY-JTQLQIEISA-N 329.334 -0.222 5 20 EBBD CC[C@@H](O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 106396214 ZBYSNICBLVGFJW-CYBMUJFWSA-N 338.364 -0.328 5 20 EBBD NC(=O)C1(O)CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 283953658 HQUQNMQQYOZXGJ-UHFFFAOYSA-N 348.359 -0.204 5 20 EBBD COC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)O 316543051 AAJDGJMSRMFGCR-MRVPVSSYSA-N 334.306 -0.019 5 20 EBBD CNC(=O)N[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 341538372 AJICKHITSWXQMW-MRVPVSSYSA-N 343.365 -0.250 5 20 EBBD COC[C@H](C)NC(=O)NC(=O)Cn1ccc(C)c([N+](=O)[O-])c1=O 349179412 JQXJZRNUNSGIFQ-VIFPVBQESA-N 326.309 -0.074 5 20 EBBD CS(=O)(=O)c1cc(C(=O)N[C@@]2(CO)CCOC2)cc([N+](=O)[O-])c1 349576405 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Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C(=O)O)[C@H]2CCCOC2)n1 600660321 RAZOHMPASCQPEN-IONNQARKSA-N 348.337 -0.514 5 20 EBBD NC(=O)c1cn(CCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)nn1 805944656 PCCVAARIKBUMAI-UHFFFAOYSA-N 349.259 -0.129 5 20 EBBD O=C(CC1CC1)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074583657 KVCFBZPFBVCSMX-VXGBXAGGSA-N 325.365 -0.079 5 20 EBBD COc1nc(C)ncc1C(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 1094218350 WWXJGHRABGQURK-UHFFFAOYSA-N 348.323 -0.084 5 20 EBBD NC(=O)CC(=O)NCCOCCCNc1ncccc1[N+](=O)[O-] 1115395226 ARNARWLFQXHGOL-UHFFFAOYSA-N 325.325 -0.200 5 20 EBBD Cc1noc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 1118557137 NTLYNTUOVORYNQ-SECBINFHSA-N 346.365 -0.374 5 20 EBBD CN(C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1)S(C)(=O)=O 1322428995 XCWNTJMVBLGQAE-UHFFFAOYSA-N 331.354 -0.186 5 20 EBBD O=C(COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CCCO1 1322855663 AFSLWJNOSOVUIM-JTQLQIEISA-N 339.304 -0.405 5 20 EBBD CS(=O)(=O)c1cc(C(=O)N2C[C@@H](O)C[C@H]2CO)cc([N+](=O)[O-])c1 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COC(=O)C(C)(C)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 284979338 BOWJFFDOZKCZEE-UHFFFAOYSA-N 325.277 -0.376 5 20 EBBD Cn1c(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] 337965778 QPBATQLTUXTFRC-SECBINFHSA-N 330.366 -0.055 5 20 EBBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNS(=O)(=O)N2CCC2)cc1 352142917 NIHSCZDONQWCBU-UHFFFAOYSA-N 349.390 -0.091 5 20 EBBD O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cc([N+](=O)[O-])n[nH]1 586782721 NHWGONYCIOLXBW-NSHDSACASA-N 338.368 -0.546 5 20 EBBD O=[N+]([O-])c1c(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)ccc2ncccc12 594767783 PCAIKQJQYZIFKY-PHIMTYICSA-N 339.329 -0.131 5 20 EBBD COC(CN(CCCO)S(=O)(=O)c1cccnc1[N+](=O)[O-])OC 786119822 BTPMUCRSSFNIAD-UHFFFAOYSA-N 349.365 -0.018 5 20 EBBD CC(C)(O)CONC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 834618126 CFPSRLCPDPUCPW-UHFFFAOYSA-N 333.322 -0.326 5 20 EBBD CN1CC[C@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 847893005 NTOIXISEQFTKIN-MRVPVSSYSA-N 328.306 -0.727 5 20 EBBD CC(C)Oc1cnc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 991844216 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COC(=O)C1(O)CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 1341604986 PYBBWGUEJVBYPK-UHFFFAOYSA-N 326.309 -0.223 5 20 EBBD C[C@H]1SC[C@@H](C(=O)NCCC(=O)O)N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1604838883 PNLUCMKYDTYBFI-BGZDPUMWSA-N 331.350 -0.468 5 20 EBBD NS(=O)(=O)N1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 264700721 UBNZBSVATFUOAL-UHFFFAOYSA-N 332.313 -0.305 5 20 EBBD Cc1c(Cl)cc(S(=O)(=O)N[C@@H](CO)C(N)=O)cc1[N+](=O)[O-] 285413044 VCQHXITYJJKECZ-QMMMGPOBSA-N 337.741 -0.319 5 20 EBBD COc1cc(OCC(=O)N2CC[C@@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 286492648 MPVJIIFDHSHBBI-AWEZNQCLSA-N 339.304 -0.569 5 20 EBBD C[C@H]1C(=O)NCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 291613040 YKNYAIRBZWWDQV-QMMMGPOBSA-N 346.299 -0.462 5 20 EBBD CC(C)(C(=O)NCC(=O)N1CCOCC1)n1cc([N+](=O)[O-])cn1 330682068 PNXXDVFRJWHDLI-UHFFFAOYSA-N 325.325 -0.499 5 20 EBBD NS(=O)(=O)CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 342658868 RKNQVMUEYXTCDZ-UHFFFAOYSA-N 345.333 -0.687 5 20 EBBD COCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(N)=O 342990901 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CC(C)(CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)NS(C)(=O)=O 68190169 SZWXKYSNKLMLSG-UHFFFAOYSA-N 346.365 -0.800 5 20 EBBD Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cc1[N+](=O)[O-] 267157811 PWWZZCVHQFZLPL-QMMMGPOBSA-N 331.306 -0.490 5 20 EBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](O)C[C@H]1CO 270678626 UEEYARDWUJXLQV-WDEREUQCSA-N 325.321 -0.031 5 20 EBBD Cc1ccc(S(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] 275935062 WRUXCZSJRNTLPK-QMMMGPOBSA-N 342.333 -0.188 5 20 EBBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1C[C@@H](O)[C@H](O)C1 282087974 JEBYMPXBNIXFOI-NXEZZACHSA-N 327.268 -0.455 5 20 EBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 286637541 ZQGNUWQBCTXBJY-NSHDSACASA-N 349.752 -0.141 5 20 EBBD Cn1ncc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 293539446 KCGFAIJCECAFTQ-UHFFFAOYSA-N 340.365 -0.209 5 20 EBBD COC(=O)C[C@@H]1C(=O)NCCN1CCn1cc([N+](=O)[O-])ccc1=O 341596384 FOZHUYMBCGVTMY-LLVKDONJSA-N 338.320 -0.880 5 20 EBBD Cc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2=O)c([N+](=O)[O-])c1 344825639 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COc1nccc(C(=O)NCCCNc2ncc([N+](=O)[O-])c(N)n2)n1 1094898703 HNHIKBCNANVCLZ-UHFFFAOYSA-N 348.323 -0.002 5 20 EBBD Cc1cc(C(=O)NCCN(C)c2ncc([N+](=O)[O-])c(N)n2)n(C)n1 1099950042 KBGHHVLKRXLLJY-UHFFFAOYSA-N 334.340 -0.125 5 20 EBBD O=C(NC/C=C\CNc1ncccc1[N+](=O)[O-])c1nnc(O)nc1O 1107605134 WORKWGSXPXJXCM-UPHRSURJSA-N 347.291 -0.016 5 20 EBBD CNC(=O)CC(=O)NCCN(CCOC)c1ncccc1[N+](=O)[O-] 1126308610 ZVRFBGWYPNOTBW-UHFFFAOYSA-N 339.352 -0.305 5 20 EBBD COCCCOCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C 1170540806 XPDLJKRAZMUSEU-UHFFFAOYSA-N 343.384 -0.023 5 20 EBBD O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc([N+](=O)[O-])s1 1594961106 JAJVMXMPARXCCV-ZCFIWIBFSA-N 334.331 -0.020 5 20 EBBD CSc1ccc(C(=O)N(CC(N)=O)CC(N)=O)cc1[N+](=O)[O-] 264905440 PRBQNNDMYSMRRF-UHFFFAOYSA-N 326.334 -0.271 5 20 EBBD C[C@@H]1OCC[C@]1(O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 279612960 WSUUUPYMDLHBKS-BONVTDFDSA-N 337.332 -0.019 5 20 EBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1COC[C@H]1O 287312365 NGXBVWCWMLYWSB-ZWKOPEQDSA-N 337.332 -0.069 5 20 EBBD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)O1 330714540 XPVPSBNDHGXMNB-VHSXEESVSA-N 325.325 -0.457 5 20 EBBD C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 338652109 ZQXMLAOWWQKDKI-JTQLQIEISA-N 339.352 -0.110 5 20 EBBD CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1COC[C@@H]1O 352807970 XMYXSEKJYLRDAU-QWRGUYRKSA-N 339.304 -0.047 5 20 EBBD COc1ncc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1C(N)=O 354549183 NBDOTXIKVKCGOF-UHFFFAOYSA-N 347.287 -0.102 5 20 EBBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1C[C@@H]2CNC[C@@H]2C1 419043199 QPNOMBIBCNVWGQ-BETUJISGSA-N 332.360 -0.069 5 20 EBBD CCNCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 422778544 DTMHSLLIWRJCFU-UHFFFAOYSA-N 330.366 -0.401 5 20 EBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCO)CCOCCO 575762998 MPKQAEBTQOUHQF-UHFFFAOYSA-N 348.377 -0.105 5 20 EBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 592931120 SURCRJWENDCSEC-VHSXEESVSA-N 326.309 -0.518 5 20 EBBD NC1(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 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O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN12 267759269 NLRKUYLUGAXTSW-SNVBAGLBSA-N 326.334 -0.007 5 20 EBBD COc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)c([N+](=O)[O-])c1 274935890 PTUBYNQFGXULDB-ZETCQYMHSA-N 347.305 -0.790 5 20 EBBD COC[C@@H](C)NC(=O)NC(=O)Cn1c(C)c([N+](=O)[O-])ccc1=O 298402515 VUSXRYYNXDYKMF-MRVPVSSYSA-N 326.309 -0.074 5 20 EBBD CN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O 340493119 POYSHZVVQAOYOK-GFCCVEGCSA-N 349.347 -0.259 5 20 EBBD C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)S(N)(=O)=O 350618969 GOGTVADXPQZTFS-MRVPVSSYSA-N 344.349 -0.882 5 20 EBBD Cc1c(C(=O)N2CC[C@@H](O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 350624769 GJGGUMLFDDVCLU-MRVPVSSYSA-N 329.334 -0.243 5 20 EBBD CC(C)(C(=O)N1CC(n2cc(C(N)=O)nn2)C1)n1cc([N+](=O)[O-])cn1 354675571 QZEKEMTTWLGMAT-UHFFFAOYSA-N 348.323 -0.700 5 20 EBBD CC(C)NS(=O)(=O)NCCNc1ncc([N+](=O)[O-])cc1C(N)=O 428648751 DOCZYUILQSEBSP-UHFFFAOYSA-N 346.369 -0.667 5 20 EBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC(N2CC[C@@H](O)C2)C1 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5 20 EBBD Cc1ccnc(NCCNC(=O)CN2C(=O)CCC2=O)c1[N+](=O)[O-] 1093625359 GGVZMYXRYLELRH-UHFFFAOYSA-N 335.320 -0.025 5 20 EBBD CNC(=O)CCCC(=O)N(C)CCNc1ncc([N+](=O)[O-])c(N)n1 1101551861 INHUXLQLOBFPCN-UHFFFAOYSA-N 339.356 -0.246 5 20 EBBD CN(CCCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CCc1cnn[nH]1 1109620338 WJMLYAKKQDARLG-UHFFFAOYSA-N 349.355 -0.022 5 20 EBBD CCn1cc(CC(=O)NCCNCc2c([N+](=O)[O-])ncn2C)cn1 1147369341 QUIICJQWCSDKEW-UHFFFAOYSA-N 335.368 -0.007 5 20 EBBD C[C@@H]1C[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 1322939195 DDRDQJHULBBQPP-ZJUUUORDSA-N 325.325 -0.409 5 20 EBBD CNS(=O)(=O)C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 1344001470 LKMILOMFYFJFAZ-UHFFFAOYSA-N 345.381 -0.278 5 20 EBBD O=C1CN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C2(CN1)COC2 1582775954 RPRQHUSBXLANLU-UHFFFAOYSA-N 345.319 -0.524 5 20 EBBD Nc1c([N+](=O)[O-])ccc(N2CC(N[C@H]3CCOC3)C2)c1-c1nn[nH]n1 1592757342 QEDICXULZZCAAO-QMMMGPOBSA-N 346.351 -0.076 5 20 EBBD O=C1NCCC2(CN(c3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)O1 1607051724 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CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1COC[C@H]1O 288544004 VHJLYUPULFYQJY-GHMZBOCLSA-N 349.299 -0.591 5 20 EBBD COC(=O)[C@@H](CO)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 298816515 XQVHKKJDPNBZFM-SNVBAGLBSA-N 339.304 -0.717 5 20 EBBD NC(=O)[C@@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])cnc1N 351252405 KCTLTAPTHXIDEH-NSHDSACASA-N 336.352 -0.358 5 20 EBBD COC(=O)[C@@H](O)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 352077579 QKGTVUDCCJDJGO-NSHDSACASA-N 332.334 -0.409 5 20 EBBD COC(=O)c1cn(C2CN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)nn1 354514078 OZEHUPSYLBILHK-UHFFFAOYSA-N 335.280 -0.298 5 20 EBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc([N+](=O)[O-])o1 358911553 XKKFKFJTQGADMU-ZETCQYMHSA-N 332.290 -0.400 5 20 EBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)N1CCNCC1 390428184 RGJWTHMMTBDZAC-UHFFFAOYSA-N 342.377 -0.387 5 20 EBBD COC(=O)[C@@H](O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 441237212 VYPAVOQPKBCAIU-STQMWFEESA-N 342.352 -0.602 5 20 EBBD N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O 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5 20 EBBD Cc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)cnn1 976412531 RVKOQLJOUBULPJ-LBELIVKGSA-N 331.332 -0.363 5 20 EBBD Cn1cc(CCC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 1001804288 FDNAYYKGEGLRJS-CHWSQXEVSA-N 335.364 -0.408 5 20 EBBD COc1ccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)nn1 1064505756 MSZWCMJTQNTVDL-MWLCHTKSSA-N 349.347 -0.081 5 20 EBBD CCC(=O)NCC(=O)NCCCNc1ncc([N+](=O)[O-])c(N)n1 1094341593 XGZIGUWBBONWGG-UHFFFAOYSA-N 325.329 -0.589 5 20 EBBD CS(=O)(=O)CC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 1107104620 AUOMPBGEMBAQCA-NSCUHMNNSA-N 344.353 -0.904 5 20 EBBD CNC(=O)NCC(=O)N(CCO)CCNc1ncccc1[N+](=O)[O-] 1111578574 JDEFLWDIGCHLLT-UHFFFAOYSA-N 340.340 -0.848 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)c1cccc(C(N)=O)c1 1130362393 QVLGKXGILWPNEU-UHFFFAOYSA-N 346.347 -0.053 5 20 EBBD O=C(CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])NCC1CC1 1323650839 RYQVKLGZHQDFJJ-UHFFFAOYSA-N 348.359 -0.104 5 20 EBBD Cn1nccc1C1(O)CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 1581838197 ODMFEKIZTLREOS-UHFFFAOYSA-N 343.307 -0.389 5 20 EBBD CCS(=O)(=O)NCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N 58105408 WHGNBIMFPKZZHR-UHFFFAOYSA-N 334.329 -0.015 5 20 EBBD COCCNC(=O)CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 157471199 IDHNNAAWBKOMAL-UHFFFAOYSA-N 340.384 -0.829 5 20 EBBD Nc1c(C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cccc1[N+](=O)[O-] 263046291 JTMZHWYHICJYDH-VIFPVBQESA-N 343.317 -0.499 5 20 EBBD CN(C[C@H](O)CO)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 275829984 DHSGPKBPOSFYPO-QMMMGPOBSA-N 331.712 -0.002 5 20 EBBD CCc1nn(C)c(N2CCN(CCS(N)(=O)=O)CC2)c1[N+](=O)[O-] 288916696 PGKAIMVOZSIWHW-UHFFFAOYSA-N 346.413 -0.699 5 20 EBBD CN1CCN(C)[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 332571820 XJSRRIASAGRNAB-LLVKDONJSA-N 325.373 -0.664 5 20 EBBD NC(=O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 352595739 CNARYJXOVCKZSF-QMMMGPOBSA-N 340.317 -0.733 5 20 EBBD O=C1NC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 354620384 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HPYOBOBPEREEBB-MRVPVSSYSA-N 348.337 -0.419 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C 744653085 XQDDFROESSRXGZ-SNVBAGLBSA-N 327.297 -0.138 5 20 EBBD CNC(=O)[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 757728358 QKUHORLVGZGRMI-JTQLQIEISA-N 331.350 -0.403 5 20 EBBD O=C(O)CNC(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O 821533245 AHFIOANALYOMKM-UHFFFAOYSA-N 334.082 -0.280 5 20 EBBD COC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826138092 DHFWTSWZDLSDOP-UHFFFAOYSA-N 342.293 -0.774 5 20 EBBD O=C(O)c1cc(C(=O)NCC(=O)N2CCOCC2)cc([N+](=O)[O-])c1 833777972 MSEXDYPYIPGYDL-UHFFFAOYSA-N 337.288 -0.118 5 20 EBBD O=C(CCn1ccnc1)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 961548677 JEYNFCNJFOVSJP-XJFOESAGSA-N 347.375 -0.145 5 20 EBBD COCc1nocc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 973252186 HCJGUXJGWOHMMO-MFYTUXHUSA-N 338.320 -0.137 5 20 EBBD Cn1cc(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)nn1 983599148 NRENTBREIAHLAE-MGCOHNPYSA-N 348.367 -0.245 5 20 EBBD Cc1cc(C(=O)NC2CN(Cc3c([N+](=O)[O-])ncn3C)C2)n(C)n1 1030132648 FUFQLTUDZHADAC-UHFFFAOYSA-N 333.352 -0.016 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)c2ccc(C(N)=O)[nH]2)C1 1030970279 KJKYGKJMZSQCGL-UHFFFAOYSA-N 347.335 -0.631 5 20 EBBD COC1(CC(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 1042976614 LNHARTGBNCSUQS-GHMZBOCLSA-N 341.364 -0.700 5 20 EBBD Nc1nc(N(CCCNC(=O)c2cnn[nH]2)C2CC2)ncc1[N+](=O)[O-] 1096088134 NCQHRIAIVCXGRR-UHFFFAOYSA-N 347.339 -0.126 5 20 EBBD CCN(CCNC(=O)c1cnn(C)c1)c1ncc([N+](=O)[O-])c(N)n1 1100440562 AGAXVPIGINGOGG-UHFFFAOYSA-N 334.340 -0.043 5 20 EBBD Cc1nc(NCCN(CCO)C(=O)c2cnnn2C)ccc1[N+](=O)[O-] 1111460153 QAKXOQVWXLGOEI-UHFFFAOYSA-N 349.351 -0.027 5 20 EBBD COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 1117153854 UXGXHRLYVYERHI-NXEZZACHSA-N 328.325 -0.196 5 20 EBBD CNC(=O)CC(=O)NCCN(CCOC)c1ccc([N+](=O)[O-])cn1 1126308252 LPXMDHFJEQZESJ-UHFFFAOYSA-N 339.352 -0.305 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1CCS(=O)(=O)CC1 1319500149 RAGJBQAEXHTIDS-UHFFFAOYSA-N 343.361 -0.303 5 20 EBBD CS(=O)(=O)C[C@@H](O)CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1591673826 KQWOWKBKEZOZJX-ZETCQYMHSA-N 342.337 -0.408 5 20 EBBD O=C(O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1601938449 UBLWPPRYHIMVBF-JQWIXIFHSA-N 337.288 -0.570 5 20 EBBD O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCc2ccc([N+](=O)[O-])cc21 1609537239 BOZTYIJDPUCSFD-UHFFFAOYSA-N 341.291 -0.044 5 20 EBBD COCCN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 174819260 FAPWFKOWJROQPN-NSHDSACASA-N 332.382 -0.073 5 20 EBBD CNS(=O)(=O)c1ccc(N2CCN(C)C(=O)C2)c([N+](=O)[O-])c1 265872119 VZVZCJWCGDEOAZ-UHFFFAOYSA-N 328.350 -0.219 5 20 EBBD CNS(=O)(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 276054601 QVQYWGOAZWMNSS-UHFFFAOYSA-N 338.367 -0.797 5 20 EBBD COC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)O 316543052 AAJDGJMSRMFGCR-QMMMGPOBSA-N 334.306 -0.019 5 20 EBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1COCCN1 319128335 FJVVLWDRMYJZQV-SECBINFHSA-N 331.350 -0.130 5 20 EBBD COC(=O)c1cn(CCNC(=O)Cn2cc([N+](=O)[O-])nc2C)nn1 341728115 JLGWIMCCCPXJBG-UHFFFAOYSA-N 337.296 -0.706 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])cn1)N(CCC(F)(F)F)C[C@H](O)CO 342127894 LQUDQCHGIKQBMW-VIFPVBQESA-N 340.258 -0.075 5 20 EBBD COC(=O)CN(C)C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 344857304 HPYGDHJWGAIRGE-UHFFFAOYSA-N 345.333 -0.204 5 20 EBBD CCOC(=O)[C@H](CO)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 360616827 VDOHOFFSHLVGJJ-QMMMGPOBSA-N 326.261 -0.023 5 20 EBBD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] 428056407 HFVRYQYQFUIJLH-BQBZGAKWSA-N 327.297 -0.496 5 20 EBBD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] 549369666 DSHLQLRIHOTAND-IONNQARKSA-N 331.354 -0.234 5 20 EBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1CNC(=O)CCN 567611690 CPIMVGBKMLZGTE-SNVBAGLBSA-N 338.368 -0.212 5 20 EBBD CN1C(=O)C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O 584139744 AOPDBJLOZZTUGJ-MRVPVSSYSA-N 335.272 -0.147 5 20 EBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 591989482 GKRWJVIJHKFJQY-KOLCDFICSA-N 341.324 -0.643 5 20 EBBD C[C@H]1CO[C@H](C)CN1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 597996652 KRFYNPSPQMVBFZ-NWDGAFQWSA-N 338.364 -0.018 5 20 EBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] 598028499 OAPVMIYSABAUQG-PWSUYJOCSA-N 343.361 -0.065 5 20 EBBD O=Cc1ccc(OCC(=O)NCCc2nc(=O)o[nH]2)c([N+](=O)[O-])c1 790078746 FTZCRAQLPRSOCU-UHFFFAOYSA-N 336.260 -0.179 5 20 EBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](O)C2)c1-c1nn[nH]n1 826499891 CZCKDRZYUFANHQ-ZETCQYMHSA-N 340.321 -0.470 5 20 EBBD COc1ccncc1CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954242167 LDEUPKJHICCPFV-CHWSQXEVSA-N 348.359 -0.033 5 20 EBBD Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]3C2)nn1 961543468 XCLITUGZXUKGRO-GFQSEFKGSA-N 345.359 -0.019 5 20 EBBD Cn1cc(C(=O)N2CCCC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)nn1 1010653937 ZZRASDGGMCJOQX-ZYHUDNBSSA-N 348.363 -0.455 5 20 EBBD Nc1nc(N2CCN(C(=O)CCn3cccn3)CC2)ncc1[N+](=O)[O-] 1055730215 GEQAJVIGCLKUKI-UHFFFAOYSA-N 346.351 -0.098 5 20 EBBD O=C(c1nnc(O)nc1O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1056083817 RSHGSKKKPUUFQM-UHFFFAOYSA-N 347.291 -0.452 5 20 EBBD CN(CCCNC(=O)Cn1nccn1)c1ncc([N+](=O)[O-])c(N)n1 1095653700 JPKIFZHJSKPBGW-UHFFFAOYSA-N 335.328 -0.799 5 20 EBBD CN(CCNC(=O)C(C)(C)C(N)=O)c1ccnc(O)c1[N+](=O)[O-] 1100186516 XETRGMNGJWUIDH-UHFFFAOYSA-N 325.325 -0.241 5 20 EBBD CN(CCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)C1CS(=O)(=O)C1 1105479476 FOOSNQIUFDXXLR-UHFFFAOYSA-N 342.377 -0.071 5 20 EBBD CN(CCCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)C(C)(C)C(N)=O 1109543590 YAWOROGWDAIFRI-UHFFFAOYSA-N 339.356 -0.261 5 20 EBBD O=C(CNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)Nc1ccccc1 1126936667 PWJABSRNESDSTH-VXGBXAGGSA-N 349.347 -0.294 5 20 EBBD COC(=O)[C@@H](Cc1cnn[nH]1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 1576913986 SPDOHGHSHAEWOX-LLVKDONJSA-N 335.276 -0.067 5 20 EBBD O=C1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2(CNC2)CN1 1580848651 GPYYHMHUNQTBMO-UHFFFAOYSA-N 345.359 -0.742 5 20 EBBD CC(C)Cn1c(N)c(C(=O)Cn2cnc([N+](=O)[O-])c2)c(=O)[nH]c1=O 26124174 AFSGGOBEVUTVKV-UHFFFAOYSA-N 336.308 -0.238 5 20 EBBD Nc1nc(=NCCc2nnnn2-c2ccccc2)[nH]cc1[N+](=O)[O-] 337838767 YNDKNUBJISDSAP-UHFFFAOYSA-N 327.308 0.019 5 20 EBBD CN1C[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1=O 338663769 AHXAXMJDXFWMNV-VIFPVBQESA-N 348.315 -0.333 5 20 EBBD O=C(NCCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 345556092 APGOZXILPFMABY-GXSJLCMTSA-N 343.365 -0.380 5 20 EBBD CCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 355490771 CXOCWMXLOFKYRH-UHFFFAOYSA-N 331.306 -0.293 5 20 EBBD NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](S(N)(=O)=O)C1 361452104 MEXJYIFKXCAPBN-MRVPVSSYSA-N 329.338 -0.654 5 20 EBBD N[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 423476575 KNNVOJKUVSDCSN-JTQLQIEISA-N 342.377 -0.273 5 20 EBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1)OCCO2 434766507 UCVXIGMCROBRIO-IUCAKERBSA-N 346.317 -0.908 5 20 EBBD COc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cccc1[N+](=O)[O-] 519655787 VCLJAHIBIXPXDP-PSASIEDQSA-N 330.318 -0.509 5 20 EBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1c[nH]c2cccc([N+](=O)[O-])c12 563395813 FKEWMYNMZFEKOA-MWLCHTKSSA-N 339.329 -0.036 5 20 EBBD N[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 580647103 YVKGZEHPXUSKGR-SECBINFHSA-N 328.350 -0.567 5 20 EBBD NCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO 595901150 BPAGTTDPCVGKKS-CYBMUJFWSA-N 326.353 -0.463 5 20 EBBD CNC[C@H](C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 595981489 DDLPLBFDZLUHNF-JTQLQIEISA-N 344.393 -0.013 5 20 EBBD NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 597734861 FHGHYBRFTNDKJF-QMMMGPOBSA-N 331.354 -0.289 5 20 EBBD O=C(O)[C@@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 738548998 NUNOIUNVEWLLHB-JTQLQIEISA-N 335.272 -0.066 5 20 EBBD COC(=O)[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCO1 821657508 PDAGAJFCUSLDKI-QMMMGPOBSA-N 335.280 -0.452 5 20 EBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]2C1 961548762 NHVVNQJQZBTNGJ-BDWVWCEQSA-N 335.360 -0.539 5 20 EBBD Cn1cccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1=O 973255005 SGXPOUHQERYBEJ-CNVPUSNMSA-N 334.332 -0.573 5 20 EBBD CCn1nncc1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 976476935 SGNUXGVDHCBDNP-GPTQDWHKSA-N 334.336 -0.850 5 20 EBBD NC(=O)c1c[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 979200778 MPUBJUOMNRQOMZ-DLYFRVTGSA-N 349.347 -0.597 5 20 EBBD Cn1nnnc1CN1[C@H]2CC[C@@H]1C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1048525504 XOOSTKIZYXJWJL-NZEXEKPDSA-N 349.395 -0.266 5 20 EBBD O=C(/C=C\c1ccco1)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057543613 PVSQMXPTWPOZIH-FGTRRKKMSA-N 337.332 -0.105 5 20 EBBD CNC(=O)CC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1061005742 IVOSRLOLWHOKRC-GHMZBOCLSA-N 338.364 -0.761 5 20 EBBD Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(O)CCS(=O)(=O)CC1 1345495050 QLRMQSOVLFDROW-UHFFFAOYSA-N 331.350 -0.397 5 20 EBBD CN(C)C(=O)CN(C)c1ccc(C(=O)NCC(=O)O)cc1[N+](=O)[O-] 1610094477 LCRLIVDBGLRTFA-UHFFFAOYSA-N 338.320 -0.066 5 20 EBBD CN(C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 269891470 RHLAGCLXKVCLAJ-GFCCVEGCSA-N 332.382 -0.033 5 20 EBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](O)C(=O)O 275180846 DKFSMTDCDGUUQR-QMMMGPOBSA-N 348.289 -0.895 5 20 EBBD CCn1cc(S(=O)(=O)NC[C@]2(O)CCSC2)c([N+](=O)[O-])n1 339048389 MOYGUYVEAXAORM-SNVBAGLBSA-N 336.395 -0.043 5 20 EBBD Cc1cc(S(=O)(=O)N2CCC(O)(C(N)=O)CC2)ccc1[N+](=O)[O-] 340052837 DSZMFXDKZFCYCD-UHFFFAOYSA-N 343.361 -0.096 5 20 EBBD O=C(NC[C@@]1(O)CCOC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 351574710 CEABXYHIQMCAKL-ZDUSSCGKSA-N 327.268 -0.060 5 20 EBBD CCOC(=O)Cn1cnc(NC(=O)c2cc([N+](=O)[O-])cnc2N)n1 425100495 UYFSKPRMUMXANW-UHFFFAOYSA-N 335.280 -0.021 5 20 EBBD C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCS(=O)(=O)C1 433405288 ZYOFHLACFBCQGS-SNVBAGLBSA-N 345.381 -0.133 5 20 EBBD CC(C)(CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)S(C)(=O)=O 575116725 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347.349 -0.356 5 20 EBBD COC(=O)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](C)O 275716994 HYAYFHJYOQOPNM-RCOVLWMOSA-N 336.297 -0.065 5 20 EBBD COC(=O)[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C)O 274342374 IRDCTRCPLHBMRW-GZMMTYOYSA-N 332.334 -0.063 5 20 EBBD CNS(=O)(=O)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 275949627 ZBVSKDZVWAQMNE-UHFFFAOYSA-N 335.313 -0.222 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 293982033 XORMOOQHENPREP-SNVBAGLBSA-N 345.381 -0.408 5 20 EBBD C[C@@H](O)C(=O)N1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 828106541 SYZJLUVDBIXWFC-ZWNOBZJWSA-N 337.332 -0.320 5 20 EBBD CCn1cc(-c2nn[nH]n2)c(=O)n(CCn2cc([N+](=O)[O-])cn2)c1=O 736713165 GTXOAPMFDDFSHK-UHFFFAOYSA-N 347.295 -0.985 5 20 EBBD CCNC(=O)NC(=O)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748918411 VJPODLAPLXDSBE-UHFFFAOYSA-N 326.265 -0.855 5 20 EBBD Cn1c(=O)ccn(CC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1=O 915398810 XDHUKUSLYLFXRT-UHFFFAOYSA-N 347.283 -0.119 5 20 EBBD C[C@H]1C(=O)N(C)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 592899153 BFCUYDPCDQGCRS-ZETCQYMHSA-N 342.333 -0.498 5 20 EBBD CN(C)C(=O)NCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 590581353 LYPPXZIWCFTILK-UHFFFAOYSA-N 331.354 -0.075 5 20 EBBD C[S@@](=O)CCNS(=O)(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-] 843288494 SELJALKIIXYCKU-HXUWFJFHSA-N 336.347 -0.050 5 20 EBBD Cc1cc(S(=O)(=O)N[C@]2(C(N)=O)CCOC2)cc([N+](=O)[O-])c1F 848503825 QZCOURONSLJICB-GFCCVEGCSA-N 347.324 -0.035 5 20 EBBD O=C(c1cccc2nn[nH]c12)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011115246 ZJBVGTZBQIKNRR-ZYHUDNBSSA-N 344.331 -0.093 5 20 EBBD O=C1CCCN1CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1017544668 YYXVKXUXLBNDDC-XJFOESAGSA-N 336.392 -0.051 5 20 EBBD CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)c1ncn(C)n1 1106749241 NQUSLMLYIXCRCE-UHFFFAOYSA-N 335.328 -0.330 5 20 EBBD Cn1cnn(CC(=O)NCC2(Nc3ncccc3[N+](=O)[O-])CC2)c1=O 1110267407 JFQRKTKCHFLCHR-UHFFFAOYSA-N 347.335 -0.354 5 20 EBBD Cn1cc(CN2CCC3(CC2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)nn1 1050517397 RQWUBLSEHRQUJJ-CHWSQXEVSA-N 334.380 -0.095 5 20 EBBD Nc1nc(N2[C@H]3CC[C@H]2CN(C(=O)c2cnon2)C3)ncc1[N+](=O)[O-] 1061980964 MHRUDOQUPHHMFM-YUMQZZPRSA-N 346.307 -0.157 5 20 EBBD O=C(NC1CN(C(=O)c2ccc3c(n2)OCCO3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991295714 JCRKBTKMNFGHMM-MWLCHTKSSA-N 348.315 -0.541 5 20 EBBD NS(=O)(=O)CCCC(=O)NCCCNc1ncccc1[N+](=O)[O-] 1094758631 GIAOQUSKDBVCTB-UHFFFAOYSA-N 345.381 -0.023 5 20 EBBD NC(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)CC1 1326487599 URPCIPSGYPNIRN-UHFFFAOYSA-N 326.284 -0.381 5 20 EBBD C[C@H](CN1CCOCC1)N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1321007326 PMYRWFSWLTXQOW-GFCCVEGCSA-N 338.364 -0.064 5 20 EBBD C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)C[C@H](CO)O1 1603939571 MYCPVSSTZIHKMD-HTQZYQBOSA-N 335.324 -0.057 5 20 EBBD O=C(O)[C@@H](O)C1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 1601687439 KIMNOYNMJKPYMX-JTQLQIEISA-N 345.333 -0.164 5 20 EBBD CN1C(=O)[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]2C1=O 1579308581 ZXNFHBGEBFFUCC-AOOOYVTPSA-N 343.303 -0.174 5 20 EBBD CN1CCC(C(=O)N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 1055840039 LJNGVYHFWQSNLN-UHFFFAOYSA-N 349.395 -0.043 5 20 EBBD Cn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccc([N+](=O)[O-])cn4)C[C@@H]32)nn1 1060404988 PIQSIRGKPZSYFQ-IWIIMEHWSA-N 329.320 -0.017 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])cn1)NCCS(=O)(=O)NCC1CCC1 264525800 ATJIHDADUQANGO-UHFFFAOYSA-N 345.381 -0.373 5 20 EBBD CNC(=O)[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 272828487 GLYLTAVUAMJCIP-CQSZACIVSA-N 348.359 -0.069 5 20 EBBD O=C(O)[C@H]1C[C@@H](O)CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 275340712 ROTJWICAGMWJKC-GHMZBOCLSA-N 330.318 -0.056 5 20 EBBD CS(=O)(=O)NCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 299423122 SAKPDAWPKBJEOX-UHFFFAOYSA-N 341.342 -0.439 5 20 EBBD Nc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCCS1(=O)=O 350163135 ZDIUMXQJIRHSAZ-UHFFFAOYSA-N 329.338 -0.663 5 20 EBBD O=C1NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]12 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Cc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)c(C)nn1 976567984 OILMMHLDGYTZDZ-RGDJUOJXSA-N 345.359 -0.055 5 20 EBBD O=C(NCC1(O)CN(C(=O)COc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042976882 YJTJJUYNPAAGBJ-CHWSQXEVSA-N 349.343 -0.580 5 20 EBBD CCn1cccc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1043135818 CNMSDGUZDHQIHP-ZYHUDNBSSA-N 336.348 -0.524 5 20 EBBD Cc1ncsc1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057543550 NZASGJSEDNLIBC-NXEZZACHSA-N 342.377 -0.333 5 20 EBBD CN(CCNC(=O)CN1C(=O)CNC1=O)c1ccc([N+](=O)[O-])cc1 1100095981 RNCHQYKTJQIUBH-UHFFFAOYSA-N 335.320 -0.301 5 20 EBBD Cc1nccc(C(=O)NCCN(C)c2ncc([N+](=O)[O-])c(N)n2)n1 1100120617 HTQNVUHCCHGKTG-UHFFFAOYSA-N 332.324 -0.068 5 20 EBBD CCN(CCNC(=O)Cn1cnnn1)c1ccnc(O)c1[N+](=O)[O-] 1100439548 HTKHBXXZCUIGFV-UHFFFAOYSA-N 336.312 -0.675 5 20 EBBD O=C1CCCN1C[C@H](O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1319510111 NTSFWMUMFXWNMV-SNVBAGLBSA-N 343.361 -0.144 5 20 EBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNCC2(OCCO)CCOCC2)c1 1329432674 GWMHTWMDVZLKNI-ZDUSSCGKSA-N 344.368 -0.700 5 20 EBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCO[C@@H](C(F)F)C1 1332625248 MDHDWUURDZBLFZ-SECBINFHSA-N 347.278 -0.600 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccnc(-c2nn[nH]n2)c1 1606082007 YADOGIAJSPDLDR-UHFFFAOYSA-N 343.307 -0.009 5 20 EBBD Nc1c([N+](=O)[O-])ccc(N2CCN3CCOC[C@H]3C2)c1-c1nn[nH]n1 1606451048 DZJOYGDTWOQQRA-SECBINFHSA-N 346.351 -0.122 5 20 EBBD NS(=O)(=O)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 42632895 XMMSKTQQLAOAGD-UHFFFAOYSA-N 326.338 -0.432 5 20 EBBD CC(C)CN1CCO[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 71946051 XLKYJWXTMKEKHP-NSHDSACASA-N 326.357 -0.341 5 20 EBBD NC(=O)[C@@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCO1 172899171 BPVKVIZNWJCIMG-LBPRGKRZSA-N 332.320 -0.003 5 20 EBBD COc1cc(OCC(=O)NC[C@@](C)(O)C(=O)O)ccc1[N+](=O)[O-] 262469539 YTXIBPUDNZRUFD-CYBMUJFWSA-N 328.277 -0.066 5 20 EBBD COc1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1[N+](=O)[O-] 275895530 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CCc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cc1[N+](=O)[O-] 569008189 LZNNDZOJEVCNNO-VIFPVBQESA-N 345.333 -0.236 5 20 EBBD CN1CCN(CCCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 578057930 ALGMRCYZABTIAA-UHFFFAOYSA-N 336.396 0.528 5 20 EBBD COC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)OC 593528131 ZSKJYSMWEYAMEL-QMMMGPOBSA-N 347.305 -0.627 5 20 EBBD NC(=O)[C@H]1C[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 600317469 UGJKGSFKQILNBX-ZKCHVHJHSA-N 346.299 -0.429 5 20 EBBD COc1ccc(C(=O)NS(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 750723144 AXAXBUXCEFKHTN-UHFFFAOYSA-N 345.333 -0.090 5 20 EBBD CCNCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 818513169 FQBLYQIAWVWSQX-UHFFFAOYSA-N 330.366 -0.401 5 20 EBBD C[C@H](CC(=O)O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 827369182 QDFPTSYKKCEFBX-SECBINFHSA-N 326.313 -0.806 5 20 EBBD Cn1c(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cccc1=O 948296838 XEADKFUHFSQVMT-DGCLKSJQSA-N 348.359 -0.229 5 20 EBBD O=C(NCC1(O)CN(C(=O)CCc2ccncc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042981450 RLRXNDLRWZCTOF-CHWSQXEVSA-N 348.359 -0.631 5 20 EBBD COC(=O)[C@]1(O)CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 1591246215 BKXWSYJPGMLXOE-AWEZNQCLSA-N 348.319 -0.115 5 20 EBBD O=C(O)CN1CC[C@H](OC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O 1595081156 NURYRHQRMGSFLH-CMPLNLGQSA-N 338.272 -0.143 5 20 EBBD CC(=O)NCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H](C)C(=O)O 262249962 QHFLXVCNIJUXPQ-QMMMGPOBSA-N 341.324 -0.462 5 20 EBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O 267146885 MBTDPZBRMXKAKZ-QMMMGPOBSA-N 331.306 -0.490 5 20 EBBD Cc1ccn(C[C@](C)(O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c(=O)c1 279789445 IIEPAWLRROYLQW-HNNXBMFYSA-N 349.347 -0.171 5 20 EBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCc1nc(=O)o[nH]1 280203724 VGTIZSXBEIOACA-UHFFFAOYSA-N 349.303 -0.250 5 20 EBBD CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 351594065 AWDPWMYUCQOGLK-CQSZACIVSA-N 340.311 -0.145 5 20 EBBD NS(=O)(=O)[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 351836601 YPNJGNYTQJMECC-LLVKDONJSA-N 329.334 -0.137 5 20 EBBD NC(=O)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 536497711 OOKOMJKMWFCANZ-SSDOTTSWSA-N 329.338 -0.511 5 20 EBBD COC(=O)CNC(=O)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 573861883 URRFRXHOKNUWHE-UHFFFAOYSA-N 348.315 -0.045 5 20 EBBD CN1C[C@H](NS(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])CC1=O 575064248 XOWSOYGHUSPJGV-MRVPVSSYSA-N 343.317 -0.198 5 20 EBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nnnn1C 578495800 KDWNNNOAPFAQEC-UHFFFAOYSA-N 341.353 -0.467 5 20 EBBD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCn1ccc([N+](=O)[O-])n1 748133280 KMLHKZLOVRAPIG-LDYMZIIASA-N 326.309 -0.390 5 20 EBBD COCCCNC(=O)[C@@H](C)OC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748910294 DEUDHPOUYUGZMJ-SNVBAGLBSA-N 341.320 -0.159 5 20 EBBD NC(=O)[C@H]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)O1 822858891 DJSCANKBMPKCDK-IONNQARKSA-N 334.296 -0.385 5 20 EBBD C[C@@H](CN)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 842254243 GHIIMWMOKOJYOU-NSHDSACASA-N 335.364 -0.293 5 20 EBBD CS(=O)(=O)NC1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 859306841 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342.356 -0.428 5 20 EBBD NC(=O)CC(=O)NCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1096277677 CYHURTRHSKRFRX-UHFFFAOYSA-N 335.364 -0.292 5 20 EBBD C[S@](=O)CCNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 1321781547 YXIYAJHMVQIEMX-QFIPXVFZSA-N 327.362 -0.252 5 20 EBBD CS(=O)(=O)NCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 45805882 RTRYUDUROQHZTO-UHFFFAOYSA-N 337.379 -0.437 5 20 EBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CNC[C@H]1O 262340477 TTWPKBXKLVAFIZ-XHVZSJERSA-N 336.348 -0.590 5 20 EBBD COC[C@@H](O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 273021620 CSYZTRXSQYKHJK-NSHDSACASA-N 325.321 -0.243 5 20 EBBD O=C(O)[C@H](CCO)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 275079397 MYTZUFCKRHIZPB-JTQLQIEISA-N 332.334 -0.108 5 20 EBBD C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C(N)=O)O1 343529554 BVMARAMOXDQXNY-SUNKGSAMSA-N 339.348 -0.091 5 20 EBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@](C)(O)C(=O)O 349085150 XFWQWQFFCDWWHM-SDBXPKJASA-N 343.340 -0.221 5 20 EBBD 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CCn1cc(S(=O)(=O)NCc2cc(C(N)=O)co2)c([N+](=O)[O-])n1 494355435 DINDFAIQULXLIZ-UHFFFAOYSA-N 343.321 -0.018 5 20 EBBD CN(CC(=O)NC/C=C\CO)S(=O)(=O)c1cccc([N+](=O)[O-])c1 597995258 ZAWXDPVZFHSELB-IHWYPQMZSA-N 343.361 -0.120 5 20 EBBD CC[C@](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])(C(N)=O)C(C)C 599273101 ZZDVUDZDDUEVFL-LLVKDONJSA-N 333.370 -0.103 5 20 EBBD NC(=O)CCCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 751861363 OWTDNGSHJMUGNG-UHFFFAOYSA-N 335.272 -0.001 5 20 EBBD C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])S(N)(=O)=O 824435790 PJBUYOLYBOSYHI-RXMQYKEDSA-N 328.314 -0.741 5 20 EBBD COC[C@@H](NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)C(N)=O 841511441 DTVTUGNLFZCGOL-SECBINFHSA-N 331.350 -0.010 5 20 EBBD COC[C@H](CN1CCO[C@@H](C)C1)OC(=O)Cn1cnc([N+](=O)[O-])n1 842961611 CVPHMODXGVALDV-QWRGUYRKSA-N 343.340 -0.535 5 20 EBBD O=C(CN1CCSC1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847891754 GPIADKCIHRJAEA-UHFFFAOYSA-N 346.346 -0.037 5 20 EBBD O=C1CCC[C@@H](CC(=O)NS(=O)(=O)c2cccnc2[N+](=O)[O-])N1 851329903 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O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCO[C@@H]2C[C@H]21 590432683 MFIHKBKQQUROAZ-GHMZBOCLSA-N 341.345 -0.127 5 20 EBBD CN(C(=O)c1ccnc(N)c1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 594363859 PPLCIMFATHVMIQ-MRVPVSSYSA-N 343.365 -0.322 5 20 EBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 598031602 YCEIZXNUYWTELE-KWQFWETISA-N 330.318 -0.158 5 20 EBBD Cn1cc(-c2nn[nH]n2)cc1C(=O)NCCn1cc([N+](=O)[O-])cn1 822641088 BXUQICXGRBFHSF-UHFFFAOYSA-N 331.296 -0.260 5 20 EBBD O=[N+]([O-])c1ccnn1Cc1cc(O)n2ncc(-c3nn[nH]n3)c2n1 823647094 FIJAVKKMAKIKHM-UHFFFAOYSA-N 328.252 -0.232 5 20 EBBD CN(C)c1ncccc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991702735 KDNNLNUGIULWJU-VXGBXAGGSA-N 333.348 -0.247 5 20 EBBD O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1cc[n+]([O-])cc1 1062458737 UJTMNVFTUUIXCR-VXGBXAGGSA-N 334.332 -0.246 5 20 EBBD O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1)c1ncccn1 1070114569 WQSQKRLCOXQYTP-GHMZBOCLSA-N 349.347 -0.463 5 20 EBBD Cc1ccnc(N(C)CCCNC(=O)Cn2ncnn2)c1[N+](=O)[O-] 1095645490 VWFROTXSXHMCCO-UHFFFAOYSA-N 334.340 -0.073 5 20 EBBD CCN(CCNC(=O)c1ccc(O)nn1)c1ncc([N+](=O)[O-])c(N)n1 1100434413 GZHYVJIZMVDAEU-UHFFFAOYSA-N 348.323 -0.281 5 20 EBBD Nc1nc(N2CCN(C(=O)N3CCOCC3)CC2)ncc1[N+](=O)[O-] 1115859476 ZBTPDRYMDWXGTD-UHFFFAOYSA-N 337.340 -0.459 5 20 EBBD O=C1CC(C(=O)NCCNCc2csc([N+](=O)[O-])c2)CC(=O)N1 1135277023 QYEWLWOXXHWNIK-UHFFFAOYSA-N 340.361 -0.085 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)c1c[nH]c(C(N)=O)c1 1151173053 CHCYVQGTEXJYLF-UHFFFAOYSA-N 335.324 -0.725 5 20 EBBD Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1COC2(CCOCC2)O1 1319873329 JLDYCGATILVDKR-VIFPVBQESA-N 326.309 -0.020 5 20 EBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CCS(=O)(=O)CC1 1593471889 ZXFMCTHMBIVCRZ-UHFFFAOYSA-N 325.310 -0.595 5 20 EBBD CN(CC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ncnc2nc[nH]c12 269131626 ISAHJZJOVUTGEO-UHFFFAOYSA-N 345.323 -0.290 5 20 EBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CCO)C(=O)O 274968968 WBAFEDXTTSIVKO-MRVPVSSYSA-N 334.306 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569471294 SHHDDZCRSVZPOF-LLVKDONJSA-N 336.396 0.397 5 20 EBBD Cc1nn(CCC(=O)N2CC[C@@H](CO)[C@H](O)C2)c(C)c1[N+](=O)[O-] 582822736 COALIIPYSLBHIY-NWDGAFQWSA-N 326.353 0.000 5 20 EBBD Nc1nccc(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@@H]32)c1[N+](=O)[O-] 584241643 QKQAZARGWCZUCP-VCXABEROSA-N 346.343 -0.227 5 20 EBBD NC(=O)C[C@@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 588855934 UQLGIIGRVUPYBP-QMMMGPOBSA-N 328.350 -0.056 5 20 EBBD COc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] 600036656 XXLWLCIJJBYUDN-XWEPSHTISA-N 336.304 -0.078 5 20 EBBD CS(=O)(=O)NC1CC(NC(=O)N=c2cc[nH]cc2[N+](=O)[O-])C1 619790299 RMHUWLACWDTLHZ-UHFFFAOYSA-N 329.338 -0.387 5 20 EBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 849187466 SGJSOTOVGUYWFN-LLVKDONJSA-N 336.304 -0.319 5 20 EBBD Nc1ccc(NC(=O)NN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 861202601 OSXYJDUQOQBTTC-UHFFFAOYSA-N 329.338 -0.056 5 20 EBBD CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)c2c[nH]c(=O)cn2)CC1 956366471 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5 20 EBBD O=C(NC1(CO)CCN(c2ncccc2[N+](=O)[O-])CC1)c1nc[nH]n1 1112667394 RSYRLCYHHRASQV-UHFFFAOYSA-N 347.335 -0.131 5 20 EBBD CN(C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O 1117092860 GJDJZOJQLSNACS-LBPRGKRZSA-N 334.332 -0.400 5 20 EBBD O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC(O)(CO)CC1 1118752645 RGHMZMXYVBUJPI-UHFFFAOYSA-N 339.352 -0.455 5 20 EBBD COCc1cc(C(=O)NCCNCc2c([N+](=O)[O-])ncn2C)no1 1134905539 UDDDCFCDSDFVST-UHFFFAOYSA-N 338.324 -0.018 5 20 EBBD O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CCO)C2CCOCC2)c1 1327004748 WAOJMXQSPNMWNZ-KGLIPLIRSA-N 328.369 -0.081 5 20 EBBD CN(CCNS(C)(=O)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 1339033492 RAWUXEZPZJLUDN-GFCCVEGCSA-N 347.393 -0.185 5 20 EBBD O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCNC2)c1-c1nn[nH]n1 1593485851 VVNNYTUYQLVQDH-SSDOTTSWSA-N 339.337 -0.585 5 20 EBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2ncon2)C1 1844592481 JABZIRXZMORWHB-UHFFFAOYSA-N 347.291 -0.168 5 20 EBBD C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 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5 20 EBBD Cn1cnc2ccc(C(=O)N3CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)nc21 991295470 MKPJYIBNCOPJHQ-BXKDBHETSA-N 344.331 -0.426 5 20 EBBD O=C(NC1CN(C(=O)c2nc[nH]c3nccc2-3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991299140 RYVVCTYSXHOGTD-NXEZZACHSA-N 330.304 -0.485 5 20 EBBD O=C(c1ccnnc1)N1CC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1019487622 SURKWWCQWRYBCX-VXGBXAGGSA-N 331.332 -0.184 5 20 EBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CN(CCn3cccn3)C2)C1 1053253647 STAWXNRQABTCRA-CHWSQXEVSA-N 335.364 -0.539 5 20 EBBD NC(=O)c1ncn(CC(=O)NCCCNc2ccc([N+](=O)[O-])cc2)n1 1094836850 AICBFLVBLBNWFH-UHFFFAOYSA-N 347.335 -0.096 5 20 EBBD CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)c1ccn(C)c(=O)c1 1102027493 KJDIAEZRCKOEGE-UHFFFAOYSA-N 347.335 -0.150 5 20 EBBD CN(CCOCCNC(=O)Cn1cnnn1)c1ccccc1[N+](=O)[O-] 1115167007 ILAJEUJXOSCGLR-UHFFFAOYSA-N 349.351 -0.150 5 20 EBBD Cn1cnn(CCC(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1=O 1131763011 NGAHBDDORSAESU-UHFFFAOYSA-N 348.363 -0.214 5 20 EBBD COCC(=O)NC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 1318033742 DLAWFFLESYDETI-UHFFFAOYSA-N 339.352 -0.065 5 20 EBBD COC(=O)N1CC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 1327437148 MZHKCMBZSVCAPP-UHFFFAOYSA-N 336.304 -0.222 5 20 EBBD CN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1579227236 XJYWDMQGNBPFTL-UHFFFAOYSA-N 328.310 -0.612 5 20 EBBD COC(=O)c1cc(C)nc(-n2cnc(-c3nn[nH]n3)n2)c1[N+](=O)[O-] 1591287742 FWJOICUFIVNTGY-UHFFFAOYSA-N 331.252 -0.154 5 20 EBBD O=C(O)[C@@H]1C[C@@H](O)CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1608604970 OLEGLUHRBYPTTQ-PSASIEDQSA-N 327.297 -0.732 5 20 EBBD CN[C@H](C)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 261738521 MGHQOSKFLWISPY-SNVBAGLBSA-N 344.393 -0.061 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(C)(C)C(N)=O)CC1 266798070 YFDOWUYJJPLQAY-UHFFFAOYSA-N 338.368 -0.492 5 20 EBBD Cc1cc(C(=O)NCC(=O)N2CCNC(=O)[C@H]2C)ccc1[N+](=O)[O-] 273077723 OODSDHWVAYBHMJ-SNVBAGLBSA-N 334.332 -0.020 5 20 EBBD C[C@@H](O)C[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 274444307 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344.331 -0.229 5 20 EBBD NC(=O)c1ncccc1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1002293379 XSWUIDKSBYNFRM-GHMZBOCLSA-N 347.331 -0.966 5 20 EBBD O=C(NCC1(O)CN(C(=O)c2cccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042974401 DYSIMRKOERGGJA-RKDXNWHRSA-N 325.346 -0.284 5 20 EBBD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccnc(O)c1 1057543397 GPOIHFMJWNSQDH-GHMZBOCLSA-N 338.320 -0.997 5 20 EBBD O=C(Cn1ncnn1)N1C[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cn1 1061991639 MLVBWNDLNZALPS-TXEJJXNPSA-N 344.335 -0.144 5 20 EBBD CNS(=O)(=O)CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 1094441169 PRDBXUGOZHDCPE-UHFFFAOYSA-N 331.354 -0.543 5 20 EBBD Cc1ccc([N+](=O)[O-])c(NCCN(CCO)C(=O)CNC(N)=O)n1 1111416639 MCKQNKQFYRELME-UHFFFAOYSA-N 340.340 -0.801 5 20 EBBD CC(=O)NCC(=O)N(CCO)CCNc1nccc(C)c1[N+](=O)[O-] 1111421297 DRDIQUVFULKZCV-UHFFFAOYSA-N 339.352 -0.333 5 20 EBBD Cc1ccc([N+](=O)[O-])c(NCCN(CCO)C(=O)c2cnnn2C)n1 1111460125 PEYPNTIAOMENJD-UHFFFAOYSA-N 349.351 -0.027 5 20 EBBD CS(=O)(=O)NCCNCC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1164494295 DOBUAXVUMFTFTB-GHMZBOCLSA-N 348.425 -0.923 5 20 EBBD O=[N+]([O-])c1cnn(CCS(=O)(=O)Cc2nnnn2C2CC2)c1 1319327414 ZIGNIXUGDCUTIG-UHFFFAOYSA-N 327.326 -0.272 5 20 EBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCCN1CCCS1(=O)=O 1319596533 CKPOINFTZGJOFD-UHFFFAOYSA-N 345.333 -0.665 5 20 EBBD C[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@]1(C)CO 1347605851 XYVMVNQFMSDYHP-HZMBPMFUSA-N 339.352 -0.616 5 20 EBBD C[C@H](O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 253203440 HDMFBGIFWUJJRZ-RYUDHWBXSA-N 338.364 -0.330 5 20 EBBD NC(=O)COc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])c2)cc1 339649988 GJZZDLYWVPTKSH-UHFFFAOYSA-N 333.304 -0.028 5 20 EBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ncn(C)n1 340434343 KDMPGUNIOLVUES-UHFFFAOYSA-N 332.320 0.363 5 20 EBBD CNS(=O)(=O)c1ccc(N(C)[C@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 343604125 INJAXIDMWXLQRB-RYUDHWBXSA-N 331.350 -0.301 5 20 EBBD CCOC(=O)CN(CCOC)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 343853963 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O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)N1CC[C@H](CO)C1 355416360 JGOVOBDWUMLUCC-VIFPVBQESA-N 347.331 -0.072 5 20 EBBD O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(Cc3ncc[nH]3)CC2)c1 438726099 RQBSPKMJGGHDSM-ZDUSSCGKSA-N 335.368 -0.307 5 20 EBBD CN1CC(=O)N(CC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1=O 444634283 HMSFDADHFSTFDF-UHFFFAOYSA-N 346.303 -0.019 5 20 EBBD CNC(=O)Cn1nc(NC(=O)c2cnc(O)c([N+](=O)[O-])c2)cc1C 445143816 ZIHKFKCDCSZPRE-UHFFFAOYSA-N 334.292 0.199 5 20 EBBD CS(=O)(=O)N[C@H]1CCN(c2ncc(C(=O)O)cc2[N+](=O)[O-])C1 566070856 IPLSOCPTOAENHP-QMMMGPOBSA-N 330.322 -0.184 5 20 EBBD CCOC(=O)c1ccnc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] 567179467 GTIRWMBEJRKNFV-KOLCDFICSA-N 349.347 -0.085 5 20 EBBD NC(=O)[C@H]1CCCCN1C(=O)CSc1ncc([N+](=O)[O-])c(N)n1 578550982 VIIAJUYGVRCVJO-SSDOTTSWSA-N 340.365 -0.075 5 20 EBBD CN(C)S(=O)(=O)NCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 596672453 RANADYTZYPRBFI-UHFFFAOYSA-N 345.381 -0.481 5 20 EBBD C[C@@H](O)C1(NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 598384352 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EBBD CS(=O)(=O)CC(=O)NCC1(Nc2ccnc(O)c2[N+](=O)[O-])CC1 1110073752 MEOWMXMVCHQCAW-UHFFFAOYSA-N 344.349 -0.199 5 20 EBBD CN1CCOC[C@]1(CO)CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1604867342 CCCIFZGCGUXGPJ-CQSZACIVSA-N 349.351 -0.120 5 20 EBBD COCCN(CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)N(C)C 159753893 ZTRHOOVGUKYQKD-UHFFFAOYSA-N 326.353 -0.207 5 20 EBBD CCc1[nH]nc(C(=O)N2CCN(C(=O)CN(C)C)CC2)c1[N+](=O)[O-] 264623018 UWKKCTXAUDZKCX-UHFFFAOYSA-N 338.368 -0.274 5 20 EBBD CNC(=O)[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 273093607 CWTUPMLMNCUIHS-BXUZGUMPSA-N 339.348 -0.219 5 20 EBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)CN1C(=O)C(=O)N(C)C1=O 298801887 OEHXMUXKMGPTRZ-UHFFFAOYSA-N 334.288 -0.026 5 20 EBBD CS(=O)(=O)NC[C@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 336899279 ASKLKXVPCZJBTL-SFYZADRCSA-N 330.370 0.097 5 20 EBBD Cc1cc(S(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)ccc1[N+](=O)[O-] 340355857 SKACNJLITNBOHF-SNVBAGLBSA-N 349.390 -0.045 5 20 EBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)CNc1ccccc1[N+](=O)[O-] 344834338 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C[C@@H](CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)S(N)(=O)=O 541030184 OLFXQJBMYFTZCI-QMMMGPOBSA-N 344.349 -0.996 5 20 EBBD COC[C@](C)(O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 542675853 HLFYUJWQAVSOMV-ZDUSSCGKSA-N 346.361 -0.118 5 20 EBBD CCN1CCN(C(=O)CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 552653415 ACVARDPYOCKCCW-UHFFFAOYSA-N 338.368 -0.538 5 20 EBBD O=C(O)c1ccc(S(=O)(=O)NC[C@H]2COCCO2)c([N+](=O)[O-])c1 575185586 DABRRCSEOOTRNX-VIFPVBQESA-N 346.317 -0.013 5 20 EBBD Cc1c(C(=O)N[C@H]2C[C@@H](O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 597410236 PNSSBNZDONKPQN-OCAPTIKFSA-N 329.334 -0.196 5 20 EBBD CC(C)(C)NS(=O)(=O)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 603873875 JXMLQNMRDYWNFD-UHFFFAOYSA-N 333.370 -0.375 5 20 EBBD O=C(O)CN(CCN1CCOCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 739786257 NHBJVZSHJPYAPI-UHFFFAOYSA-N 326.309 -0.218 5 20 EBBD COC(=O)C[C@@]1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCOC1 770711397 VCAQMPZZTGXCPG-JSGCOSHPSA-N 342.352 -0.146 5 20 EBBD CN(C(=O)c1cn(CC2CC2)nn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 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C[C@H](CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(=O)O 594530331 QPNYAUYEBGUFMQ-SECBINFHSA-N 339.304 -0.073 5 20 EBBD COC(=O)[C@@](C)(CO)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 595526489 AXQKKKIIQWYHBB-OAHLLOKOSA-N 337.332 -0.003 5 20 EBBD COC(=O)c1cc([N+](=O)[O-])cn([C@@H]2CCN(CC(=O)O)C2=O)c1=O 596013775 PZHKTPMFVHKOJR-SECBINFHSA-N 339.260 -0.599 5 20 EBBD CNc1nccc(C(=O)N2CC(NS(C)(=O)=O)C2)c1[N+](=O)[O-] 600327533 UEXNCSDEMYQLGH-UHFFFAOYSA-N 329.338 -0.595 5 20 EBBD CCc1[nH]nc(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1[N+](=O)[O-] 608799630 CNUHUVHTKPNWEO-UHFFFAOYSA-N 338.368 -0.274 5 20 EBBD C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H](CO)O1 786810384 DMLXNXJFKLBHGV-WCBMZHEXSA-N 331.350 -0.172 5 20 EBBD Cc1cc(C(=O)OC[C@H](C)[N+](=O)[O-])nc2c1c(=O)n(C)c(=O)n2C 813114662 FHYYXJGVICTHGM-QMMMGPOBSA-N 336.304 -0.237 5 20 EBBD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] 814038483 QSRBOEGKDRKIKS-IONNQARKSA-N 348.381 -0.088 5 20 EBBD 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CN1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 286017505 ZXIDYPCUMWVPCH-CHWSQXEVSA-N 336.348 -0.312 5 20 EBBD O=C1CN2C(=O)N(CCOc3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2CN1 348519048 ZXADAHBHALVTDI-NSHDSACASA-N 334.288 -0.264 5 20 EBBD Cn1ccc(=O)n(CCCNC(=O)c2cnc(O)c([N+](=O)[O-])c2)c1=O 349301602 QHQPPXNGJVCZEF-UHFFFAOYSA-N 349.303 -0.624 5 20 EBBD CCS(=O)(=O)NCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 427810445 FMKUOSKNBCOUCE-UHFFFAOYSA-N 345.381 -0.106 5 20 EBBD O=C1N[C@@]2(CCSC2)C(=O)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 438786120 XHIWTAQPAZUDNJ-JOYOIKCWSA-N 341.349 -0.420 5 20 EBBD Nc1nc(=NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)[nH]cc1[N+](=O)[O-] 447048680 AJPDHOXAHADGDX-UUTMEEIUSA-N 344.331 -0.392 5 20 EBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@H]1O 457361100 QOGGOLVNXILLPF-MWLCHTKSSA-N 343.361 -0.097 5 20 EBBD C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)S(N)(=O)=O 535785155 OWJYTPFLUMLPEV-SSDOTTSWSA-N 345.333 -0.227 5 20 EBBD NC(=O)[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCOC1 566478173 OELUPYKGOOEMKF-NSHDSACASA-N 333.297 -0.343 5 20 EBBD CN(C)C[C@](C)(O)CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 589111946 HRNYUGOMQIAYLC-GFCCVEGCSA-N 332.382 -0.033 5 20 EBBD COC(=O)[C@@H]1C[C@@H](O)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 592195985 IVOAOFFGNFJJNG-YUSALJHKSA-N 328.325 -0.992 5 20 EBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOC2(CNC2)C1 596581415 YBGQTJBVFYSTCI-LLVKDONJSA-N 348.359 -0.086 5 20 EBBD O=C(NCC(=O)N1C[C@H](O)[C@@H](CO)C1)Nc1cccc([N+](=O)[O-])c1 598903088 KDDDSUKYLXDGLO-SKDRFNHKSA-N 338.320 -0.472 5 20 EBBD COCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(N)=O 619495298 JVRZZARKOASAQG-QMMMGPOBSA-N 347.349 -0.228 5 20 EBBD COC(=O)CCCS(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])cn1 741118388 PPENHXDXQKDKIH-UHFFFAOYSA-N 348.337 -0.419 5 20 EBBD NCCc1noc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 843130513 CDAYPWRYFMGQPQ-UHFFFAOYSA-N 341.349 0.000 5 20 EBBD Cn1cnc(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n1 968964248 UXIDSMUIEMXQIJ-UKKRHICBSA-N 334.336 -0.704 5 20 EBBD CCc1ncncc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011113073 FWRFYMABZYFFNV-ZWNOBZJWSA-N 333.348 -0.011 5 20 EBBD Cc1n[nH]c(C)c1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057545005 QUVYFAVBFQKISB-GHMZBOCLSA-N 339.352 -0.758 5 20 EBBD CN(CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)C(N)=O 1096910651 CZKFHRLBXQLJGV-UHFFFAOYSA-N 349.347 -0.813 5 20 EBBD CCN(CCNC(=O)C1=COCCO1)c1ncc([N+](=O)[O-])c(N)n1 1100434113 BHRARTLIWWDWRX-UHFFFAOYSA-N 338.324 -0.202 5 20 EBBD Nc1nc(NC/C=C\CNC(=O)Cn2cccn2)ncc1[N+](=O)[O-] 1107032111 PEHKTDQMBBFRBL-UPHRSURJSA-N 332.324 -0.052 5 20 EBBD C[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@]1(C)CO 1347605854 XYVMVNQFMSDYHP-QMTHXVAHSA-N 339.352 -0.616 5 20 EBBD O=C(OCCn1cnc([N+](=O)[O-])n1)c1ccnc(-c2nn[nH]n2)c1 1606974193 XGRCWIQXOKICCF-UHFFFAOYSA-N 331.252 -0.382 5 20 EBBD CN(CCOCCNC(=O)c1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1756371857 ZAPZRPGIYZXQJX-ZYHUDNBSSA-N 339.352 -0.710 5 20 EBBD O=C(CN1CCS(=O)(=O)CC1)NCc1ccccc1[N+](=O)[O-] 53868566 VEFITBKRCXZKQQ-UHFFFAOYSA-N 327.362 -0.059 5 20 EBBD O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(C[C@H]3CCCO3)CC2)c1 75590438 MGXHEEBYESUCML-HUUCEWRRSA-N 339.396 -0.051 5 20 EBBD CCS(=O)(=O)NCCCNc1nccc(C(N)=O)c1[N+](=O)[O-] 290614611 KSQMISACKDFHKZ-UHFFFAOYSA-N 331.354 -0.170 5 20 EBBD CCc1[nH]nc(C(=O)N2CCO[C@@H](CNC(C)=O)C2)c1[N+](=O)[O-] 344660621 YGDSABSVQPOYGA-VIFPVBQESA-N 325.325 -0.143 5 20 EBBD CNC(=O)[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCO1 353273907 FCJDATJLRDLISM-SECBINFHSA-N 344.349 -0.807 5 20 EBBD CCn1cc(S(=O)(=O)N2CCSC[C@H]2C(N)=O)c([N+](=O)[O-])n1 360280410 VRGXODFAWQZGSW-ZETCQYMHSA-N 349.394 -0.597 5 20 EBBD COC(=O)Cc1nnn(C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 432759038 PPIFJDRMTQCWNP-JTQLQIEISA-N 337.292 -0.263 5 20 EBBD NS(=O)(=O)c1c(N2CCN3C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] 531203264 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Cc1cc(C(=O)NCC(=O)N2C[C@H](O)C[C@@H]2CO)ccc1[N+](=O)[O-] 371743969 NUKKPKVETWGOIK-VXGBXAGGSA-N 337.332 -0.413 5 20 EBBD NS(=O)(=O)[C@H]1CCCN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])C1 371888138 MPCJPEFZNGLXCH-QMMMGPOBSA-N 329.338 -0.304 5 20 EBBD NC(=O)[C@H]1CN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CCO1 794622605 DNHUWKIUOHQEDT-LLVKDONJSA-N 349.303 -0.445 5 20 EBBD CCN1CCN(C(=O)[C@@H](C)OC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 919519515 KOVDQVSHLDREJA-SNVBAGLBSA-N 340.340 -0.718 5 20 EBBD O=C(c1ncccc1O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 961421319 IFZDWXUKLUHBLP-WRWGMCAJSA-N 346.343 -0.017 5 20 EBBD O=C(/C=C\C1CC1)N1CCN(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 967199874 JMVAVRCUDYZWJT-LPUOJRKPSA-N 348.403 -0.027 5 20 EBBD O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1c[nH]c(=O)cn1 978795551 PXCOKAAEKLVQKP-PKIKSRDPSA-N 335.320 -0.940 5 20 EBBD O=C(c1ccc2nn[nH]c2n1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011114372 LNASLFJPSGFGOI-LDYMZIIASA-N 345.319 -0.698 5 20 EBBD 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Cc1nc(N2CCN(C(=O)Cn3ncnn3)CC2)ccc1[N+](=O)[O-] 1055912668 NZQCIRRLBSPBPC-UHFFFAOYSA-N 332.324 -0.366 5 20 EBBD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nccs1 1057544409 BWNXWDKJMRHIIW-RKDXNWHRSA-N 328.350 -0.641 5 20 EBBD Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)c1cn(C)c(=O)nc1O 1093650497 UEMOCXLRBFNCGR-UHFFFAOYSA-N 348.319 -0.061 5 20 EBBD NC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 1097146186 RCJLFFYXGZRLGP-KNVOCYPGSA-N 326.288 -0.144 5 20 EBBD Cc1nn(CC(=O)N(C)CCNc2ccc([N+](=O)[O-])cn2)c(=O)n1C 1101725635 GKZMQYWTWDJSLO-UHFFFAOYSA-N 349.351 -0.236 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)c1cc(C(N)=O)ccn1 1153930039 SIBLSVJSDGTLBW-UHFFFAOYSA-N 347.335 -0.658 5 20 EBBD Cc1c(CNC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cccc1[N+](=O)[O-] 1323294112 FCZOETBFLVUEKD-NSHDSACASA-N 334.332 -0.134 5 20 EBBD CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCN(S(C)(=O)=O)C1 1324392184 AHXVPAXIOMTWIX-MRVPVSSYSA-N 331.354 -0.566 5 20 EBBD C[C@H]1SCC[C@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1326150279 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CCn1cc(S(=O)(=O)N[C@H](C)c2ncnn2C)c([N+](=O)[O-])n1 353842014 MIZZCCIPRVWPJH-SSDOTTSWSA-N 329.342 -0.021 5 20 EBBD CCOC(=O)Cn1cnc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1 425108073 PJLQJSVREKOPJI-UHFFFAOYSA-N 337.296 -0.025 5 20 EBBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CS(=O)(=O)C[C@H]1O 521874968 JVCDVAMDAFCEPT-CKYFFXLPSA-N 346.361 -0.918 5 20 EBBD CNc1nccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)c1[N+](=O)[O-] 571938687 AYLCHXOBLAVSSN-KOLCDFICSA-N 338.320 0.170 5 20 EBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1CCCS1(=O)=O 576919952 KQFNSUXIPPVIHY-MRVPVSSYSA-N 335.363 -0.155 5 20 EBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](O)C1CC1 596949438 YEWSLUXCOYLXFC-GFCCVEGCSA-N 343.361 -0.240 5 20 EBBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 597571466 RHPBZJOQEQDTLT-YRGRVCCFSA-N 348.315 -0.500 5 20 EBBD NS(=O)(=O)c1ccc(NCC(=O)OCCCO)c([N+](=O)[O-])c1 744590975 JPFXNYPWNSWXSA-UHFFFAOYSA-N 333.322 -0.420 5 20 EBBD COC(=O)Cn1cc(CCOC(=O)c2nn(C)cc2[N+](=O)[O-])nn1 772060321 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EBBD CN(CCCNC(=O)Cn1cnnc1O)c1ncccc1[N+](=O)[O-] 1095541267 OQFFCECLTVPITP-UHFFFAOYSA-N 335.324 -0.070 5 20 EBBD CCN(CCNC(=O)Cn1cnnn1)c1cc(C)c([N+](=O)[O-])cn1 1100439857 XXWIBBHIPHEUBD-UHFFFAOYSA-N 334.340 -0.073 5 20 EBBD CN(CCN(C)c1ccnc(O)c1[N+](=O)[O-])C(=O)CNC(N)=O 1105343326 BUZYEXJWQQCAKS-UHFFFAOYSA-N 326.313 -0.742 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNC1(CNC(=O)C(N)=O)CCCCC1 1115705304 YJANRFSETHGDQT-UHFFFAOYSA-N 338.368 -0.278 5 20 EBBD COCCO[C@H]1C[C@H](CO)CN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 1324741601 LDKXZUFQIGRWRI-QWRGUYRKSA-N 342.352 -0.186 5 20 EBBD O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)N1CCNCC1 1328181039 FLPJLAVURCERRW-UHFFFAOYSA-N 345.153 -0.049 5 20 EBBD COCCNC(=O)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 270870382 BRCBXVZFFUXBBK-UHFFFAOYSA-N 345.377 -0.181 5 20 EBBD Cc1nc(CN2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)n[nH]1 301988934 LRDNLCNFJAZRFP-UHFFFAOYSA-N 346.351 -0.163 5 20 EBBD Cc1sc(S(=O)(=O)NCCN2CCNC(=O)C2)cc1[N+](=O)[O-] 342579790 ZTDVNPAMIAVQBZ-UHFFFAOYSA-N 348.406 -0.325 5 20 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O=C(NCCO)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 269101559 PGMSKFCKKXPVMU-GFCCVEGCSA-N 343.361 -0.144 5 20 EBBD Cn1ncc2c(=O)n(C[C@@H](O)COc3ccccc3[N+](=O)[O-])nnc21 272918478 IIDAEAYHKCODTA-SECBINFHSA-N 346.303 -0.127 5 20 EBBD CNC(=O)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCO1 273130505 RKMJJOKOXDWUAE-SNVBAGLBSA-N 326.284 -0.097 5 20 EBBD CN(C)C(=O)NCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 276942607 BAYBCQLWTIXUKC-UHFFFAOYSA-N 331.354 -0.075 5 20 EBBD C[C@H](N)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 422775208 AOHKFYOUAWNISW-VIFPVBQESA-N 330.366 -0.273 5 20 EBBD C[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H](CO)O1 527293951 XNASOPKUACMBCD-IUCAKERBSA-N 331.350 -0.172 5 20 EBBD CNc1nccc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-] 594289613 XJNSGYUWHDQIFF-MRVPVSSYSA-N 328.350 0.339 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)CC(=O)N(C)C 598186076 KRFCOBRBJVWZLG-UHFFFAOYSA-N 340.384 -0.422 5 20 EBBD COc1cc(OCC(=O)N2C[C@H](O)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] 600240736 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Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)c1coc(C(N)=O)c1 1131783214 ZXOJNQGCYXOGHN-UHFFFAOYSA-N 336.308 -0.460 5 20 EBBD COCCN1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1=O 1591430505 PMUAZVKZRUGGOJ-UHFFFAOYSA-N 348.323 -0.390 5 20 EBBD CN(c1ccc(C(=O)NCC(=O)O)cc1[N+](=O)[O-])[C@H]1CCNC1=O 1606181322 QTHFAQXQSNLONW-JTQLQIEISA-N 336.304 -0.266 5 20 EBBD O=C1CN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 30544622 ONOOFPFZNQNVKV-UHFFFAOYSA-N 347.375 -0.325 5 20 EBBD O=C(Cn1ccc([N+](=O)[O-])n1)NCCS(=O)(=O)NCC1CCC1 68495882 HGWRIPUJMINAAI-UHFFFAOYSA-N 345.381 -0.373 5 20 EBBD CN1C(=O)C[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1=O 283663246 ZGMQHEDDIPBCCM-VIFPVBQESA-N 327.318 -0.229 5 20 EBBD O=C1NC[C@H]2CN(Cc3nc4ccc([N+](=O)[O-])cc4[nH]3)CCN2C1=O 361259868 BBBZJZGPGRANLR-JTQLQIEISA-N 344.331 -0.386 5 20 EBBD NC[C@@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCC1 419465373 OWLBZNSIJSHKFA-GFCCVEGCSA-N 338.368 -0.459 5 20 EBBD O=[N+]([O-])c1ccc(NCCc2nc[nH]n2)nc1NCCc1nc[nH]n1 433780141 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COC[C@@H](O)CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 857719583 CCRQMNMLHYJGIH-NSHDSACASA-N 326.309 -0.160 5 20 EBBD COCc1nc(C(=O)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])co1 861326398 IUGFSCGQTFYUNM-UHFFFAOYSA-N 345.293 -0.419 5 20 EBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2CCC[C@H](C1)N2C(=O)Cc1nc[nH]n1 952713588 QLPICJQNXJZXLV-WRWGMCAJSA-N 348.363 -0.396 5 20 EBBD C/C=C(/C)C(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 967216060 LYHANKUPDSXBOR-KXPQISSRSA-N 336.392 -0.027 5 20 EBBD Cn1nccc1CC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 969001532 PADXPAUCUCPTGU-XJFOESAGSA-N 347.375 -0.170 5 20 EBBD Cc1nc(O)[nH]c1C(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1030485264 OVPFARNEMGNDOM-UHFFFAOYSA-N 335.324 -0.320 5 20 EBBD CC(=O)NC(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1067385770 LUGBEALEJXGWGW-VXGBXAGGSA-N 342.396 -0.127 5 20 EBBD CNC(=O)CC(=O)NCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 1096279837 KJJCZVUCDMOGHB-UHFFFAOYSA-N 349.391 -0.031 5 20 EBBD Cc1nn(C)c(C(=O)N2CCN(Cc3nc[nH]n3)CC2)c1[N+](=O)[O-] 1326614787 QNEVFXYAGZNREM-UHFFFAOYSA-N 334.340 -0.287 5 20 EBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1 262638052 XXISGQDCSJSEHQ-SNVBAGLBSA-N 342.377 -0.401 5 20 EBBD COC(=O)C[C@H](C)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 266946522 QWIPIRHJTWUEMI-NSHDSACASA-N 339.352 -0.113 5 20 EBBD CCNS(=O)(=O)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 271612663 WCBJDOARINAGNE-SNVBAGLBSA-N 331.354 -0.669 5 20 EBBD CNC(=O)[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 272719129 BKQDYIOFRYYFSD-GFCCVEGCSA-N 343.361 -0.129 5 20 EBBD O=C(CN1CCOCC1)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 273211817 TWVWBDAFIXMBAT-UHFFFAOYSA-N 336.352 -0.634 5 20 EBBD COC(=O)[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C 273448452 IGEODWWYWHNBJC-QMMMGPOBSA-N 336.297 -0.145 5 20 EBBD COC(=O)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](C)O 275716989 HYAYFHJYOQOPNM-IMTBSYHQSA-N 336.297 -0.065 5 20 EBBD CNS(=O)(=O)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] 276043480 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Cn1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(O)nc1=O 1150971537 HCWRFVGHZCYDJO-UHFFFAOYSA-N 347.331 -0.086 5 20 EBBD CCOCCOCC(=O)NCCNCc1c([N+](=O)[O-])ncn1C 1152564617 IJGNIDRISZKRRI-UHFFFAOYSA-N 329.357 -0.413 5 20 EBBD CC(=O)NC[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CCO1 1318569340 QYCKOZDEPHVUMW-JTQLQIEISA-N 325.325 -0.386 5 20 EBBD Cc1nc(CN2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)no1 1320418889 UWIPDXFLFWIMQK-UHFFFAOYSA-N 335.324 -0.022 5 20 EBBD CO[C@]1(C(=O)O)CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 1777155789 RLKGAJPWOVUIOI-GFCCVEGCSA-N 345.333 -0.078 5 20 EBBD COc1cc(C(=O)OCC(=O)NC(N)=O)c([N+](=O)[O-])cc1OC 3498193 SRGWBJJTDIUXRE-UHFFFAOYSA-N 327.249 -0.036 5 20 EBBD CN(C[C@H](O)CN1CCOCC1)C(=O)c1cccc([N+](=O)[O-])c1N 267549956 BELHCFMQIFQOKM-NSHDSACASA-N 338.364 -0.058 5 20 EBBD CN[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 269109879 DRBXNDDWAIDGBO-VIFPVBQESA-N 342.377 -0.015 5 20 EBBD COC(=O)CN(CC(=O)OC)C(=O)c1cc([N+](=O)[O-])ccc1N 274521508 SHSRHTZVTRAKCJ-UHFFFAOYSA-N 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Cc1cc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc([N+](=O)[O-])c1C 292222676 QXTYEHGUUSGSDT-UHFFFAOYSA-N 344.349 -0.827 5 20 EBBD COc1ccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1[N+](=O)[O-] 354735681 VIXXTIWMKVQWQY-UHFFFAOYSA-N 346.303 -0.009 5 20 EBBD Cc1cc(S(=O)(=O)N2CC[C@](O)(C(N)=O)C2)c(C)cc1[N+](=O)[O-] 416475801 VOQWNSNMMYKQPP-CYBMUJFWSA-N 343.361 -0.178 5 20 EBBD COC(=O)CNC(=O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 440494256 ZZWLTCJBGUSCNE-JTQLQIEISA-N 337.336 -0.235 5 20 EBBD CCn1cc(S(=O)(=O)NCCN2CCO[C@H](C)C2)c([N+](=O)[O-])n1 582280352 XUVMXIFVFKOCMQ-SNVBAGLBSA-N 347.397 -0.190 5 20 EBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(CO)CO 590563716 ARZRVVOMFFXKSA-JTQLQIEISA-N 339.348 -0.180 5 20 EBBD C[C@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CCOCC1 591743619 PVOBOSRBYSBBDK-TZMCWYRMSA-N 327.385 -0.290 5 20 EBBD NS(=O)(=O)c1ccc(N2CCC[C@H]3C(=O)NC[C@H]32)cc1[N+](=O)[O-] 596224434 FYDBHRXVTQUNDK-MWLCHTKSSA-N 340.361 -0.043 5 20 EBBD CCCc1[nH]nc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)c1[N+](=O)[O-] 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CCn1nc(C)c(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1001799170 KVTLKJGRGYQUOU-GHMZBOCLSA-N 336.352 -0.540 5 20 EBBD CCc1n[nH]cc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1058054789 OBFIARWDZGCDEX-BXKDBHETSA-N 339.352 -0.812 5 20 EBBD Cn1ncc(C(=O)N[C@H]2C[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)n1 1059673339 MZXWEHWGMVWWEU-KNVOCYPGSA-N 333.312 -0.532 5 20 EBBD Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ccnc(O)c4[N+](=O)[O-])C[C@@H]32)n1 1060421704 VRZLPDPLDFJFLD-VROVMSAKSA-N 345.319 -0.312 5 20 EBBD CC(C)(O)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1080856584 MHBPIIVQUZHIOY-GHMZBOCLSA-N 343.380 -0.718 5 20 EBBD CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CCn1cncn1 1101501801 LXKRFROESJKIPP-UHFFFAOYSA-N 335.328 -0.481 5 20 EBBD Cc1nonc1CC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 1107314272 ANUZMDIAVZLCPX-NSCUHMNNSA-N 348.323 -0.015 5 20 EBBD Cc1cc(N2CC[C@@H](NC(=O)c3c([N+](=O)[O-])cnn3C)C2=O)n(C)n1 1320432292 SYMHUHYESMNRNI-SECBINFHSA-N 347.335 -0.094 5 20 EBBD 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NC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(N3CC[C@@H](C(N)=O)C3)n2)C1 357777918 GMCCJRGPCAILMC-VHSXEESVSA-N 348.363 -0.387 5 20 EBBD Cc1ccc(NC(=O)C(=O)NCCc2nc(N)no2)cc1[N+](=O)[O-] 359370694 CTLHCJISAARJSA-UHFFFAOYSA-N 334.292 0.166 5 20 EBBD CN(C)C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 559304736 KNPWPPFEKURLIK-UHFFFAOYSA-N 337.336 -0.418 5 20 EBBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1CNC(=O)N1 732361015 CEMRCMDHISPRBD-VIFPVBQESA-N 338.276 -0.234 5 20 EBBD CC(C)(C)NS(=O)(=O)CC(=O)OCCn1cnc([N+](=O)[O-])n1 749078614 BYZIQSLMYNWUKE-UHFFFAOYSA-N 335.342 -0.553 5 20 EBBD CN(C)S(=O)(=O)CCCOC(=O)Cn1cc([N+](=O)[O-])ccc1=O 774533376 QKJNWQMORKZYFY-UHFFFAOYSA-N 347.349 -0.419 5 20 EBBD CNc1ccc(C(=O)NS(=O)(=O)c2cnnn2C)cc1[N+](=O)[O-] 781729505 PBOADUKYGRWXKE-UHFFFAOYSA-N 340.321 -0.116 5 20 EBBD O=C1OCCN1[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 852431646 FEDPAVSWCFOEKH-ZYHUDNBSSA-N 325.325 -0.321 5 20 EBBD COc1ccc([N+](=O)[O-])cc1C(=O)NN1CCS(=O)(=O)CC1 862737793 NDMVWXWQTJBBJN-UHFFFAOYSA-N 329.334 -0.021 5 20 EBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cccc(=O)n2C)C1 967949116 FNIOAKJJBFQXOL-DGCLKSJQSA-N 348.359 -0.277 5 20 EBBD O=C(N[C@H]1C[C@H](CNCc2ncnn2CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 983653608 KGPUUFDYYKPNHH-DDHJBXDOSA-N 340.359 -0.103 5 20 EBBD Cc1nonc1C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1019013993 POZAVKPALZTCQG-NXEZZACHSA-N 335.320 -0.282 5 20 EBBD CC(C)CN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1070963385 OXKJHSLJONEMQN-CHWSQXEVSA-N 326.397 -0.042 5 20 EBBD CCN(CCNC(=O)c1nnn(C)n1)c1ccnc(O)c1[N+](=O)[O-] 1100679169 MGXVFSZDXGBUKT-UHFFFAOYSA-N 336.312 -0.525 5 20 EBBD Cc1cnc(NCCN(CCO)C(=O)c2cn(C)nn2)c([N+](=O)[O-])c1 1111460603 BPKPVYRBLZCXNP-UHFFFAOYSA-N 349.351 -0.027 5 20 EBBD O=C(Cn1cnnc1O)NCCNCc1csc([N+](=O)[O-])c1 1126021122 HRXBXMQNJUIFDF-UHFFFAOYSA-N 326.338 -0.141 5 20 EBBD CS(=O)(=O)NCCC(=O)NCCNCc1ccccc1[N+](=O)[O-] 1128601329 RJNAZEWHEJXYRL-UHFFFAOYSA-N 344.393 -0.260 5 20 EBBD Nc1ncc2c(n1)CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC2 1261783209 HFEUPNHBHRKGGA-UHFFFAOYSA-N 330.304 -0.286 5 20 EBBD CNC(=O)CCN(C)C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 1322646581 QHSURVMKVPLQDU-UHFFFAOYSA-N 336.348 -0.152 5 20 EBBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN[C@H](C(N)=O)C2)s1 1337590796 KWYAAFIDAJWDPG-LURJTMIESA-N 334.379 -0.677 5 20 EBBD COC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1598768922 BWOXANARIILGMM-WPRPVWTQSA-N 340.292 -0.344 5 20 EBBD O=C1CO[C@@H]2CCN(c3cccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@H]2N1 1607047889 QFZQDYVHYANRHL-MWLCHTKSSA-N 345.319 -0.131 5 20 EBBD O=C(CN1CCS(=O)(=O)CC1)NCc1cccc([N+](=O)[O-])c1 67073064 PMHZXMSLLFGVRI-UHFFFAOYSA-N 327.362 -0.059 5 20 EBBD Cc1nc(N2CCN(CCS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] 150940382 XIPHVZONTRFFCX-UHFFFAOYSA-N 329.382 -0.291 5 20 EBBD Cc1nn(CCC(=O)NCC(=O)N2CCOCC2)c(C)c1[N+](=O)[O-] 272103763 WJJOKGOLVSZBOR-UHFFFAOYSA-N 339.352 -0.227 5 20 EBBD NC(=O)C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)O 274974361 WRIYSYROJQBAGK-VIFPVBQESA-N 345.333 -0.615 5 20 EBBD O=C(O)C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 275253186 LIHVUUCUKRWZGR-MRVPVSSYSA-N 332.290 -0.058 5 20 EBBD CCc1[nH]nc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1[N+](=O)[O-] 293599222 AQRMNBYQLBSVCW-QMMMGPOBSA-N 345.381 -0.014 5 20 EBBD NC1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 295512281 VBBLZKBGYJONPX-UHFFFAOYSA-N 342.377 -0.129 5 20 EBBD COCC1(O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 295811525 UEGXVARYGJHZAP-UHFFFAOYSA-N 332.334 -0.015 5 20 EBBD COc1ccc(CNC(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] 298888993 ZCPIHGRRADVRLV-UHFFFAOYSA-N 346.365 -0.048 5 20 EBBD COC(=O)CCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1=O 354451347 FMQBLCZQGRIQMM-ZETCQYMHSA-N 325.281 -0.788 5 20 EBBD O=C(O)c1cccc(S(=O)(=O)NC[C@@H]2COCCO2)c1[N+](=O)[O-] 569224540 BOGMAGWJZYGPBM-MRVPVSSYSA-N 346.317 -0.013 5 20 EBBD O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](CO)Cc2cccnc2)c1 570928213 WIFVJIQCPTUWBI-UKRRQHHQSA-N 335.364 -0.012 5 20 EBBD N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O 594876030 ZTMGSWYBVFLXQA-JQWIXIFHSA-N 340.361 -0.473 5 20 EBBD Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)n1 597734846 FBASLITXXYODEW-MRVPVSSYSA-N 346.369 -0.884 5 20 EBBD O=C1NC[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc34)CCN2C1=O 611710059 XOXYWTWCEKUXFS-JTQLQIEISA-N 342.315 -0.315 5 20 EBBD COC[C@H](O)CNC(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC 802217875 XWKCQPXZCFCPIH-SNVBAGLBSA-N 342.304 -0.082 5 20 EBBD COCC(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 821680656 POKBDIAJZJGOSL-UHFFFAOYSA-N 348.323 -0.535 5 20 EBBD O=C(O)CC1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 833204694 FVAOQVWMZNLUEN-LLVKDONJSA-N 328.325 -0.234 5 20 EBBD O=C(c1ncccn1)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 965459068 HGGAEWPJSJUBLM-GHMZBOCLSA-N 347.331 -0.805 5 20 EBBD O=C(CC1OCCCO1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 978798189 ZITDIHMMDJZTBV-WRWGMCAJSA-N 341.364 -0.184 5 20 EBBD Cc1cc(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n[nH]1 979740908 XQMLNGSYOISQPO-FPQZTECRSA-N 335.364 -0.063 5 20 EBBD NC(=O)c1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc1 1002914403 NFGFUPZOJWHAMK-ZYHUDNBSSA-N 347.331 -0.966 5 20 EBBD O=C(c1cnc2[nH]ncc2c1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011113332 MIQPKAAXALXUCO-VXGBXAGGSA-N 344.331 -0.093 5 20 EBBD Cc1ncc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)n1 1042976835 WMLCFRSUKZVVGM-ZYHUDNBSSA-N 349.347 -0.938 5 20 EBBD COCCCOCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1064527187 LBMPEUHDYUDCPA-VXGBXAGGSA-N 343.380 -0.140 5 20 EBBD Nc1nc(NC[C@H]2C[C@H](NC(=O)Cc3nc[nH]n3)C2)ncc1[N+](=O)[O-] 1068525819 PNYRDHOLSGSICY-ZKCHVHJHSA-N 347.339 -0.366 5 20 EBBD NC(=O)C(=O)NCc1cnn2c1CN(c1ccccc1[N+](=O)[O-])CC2 1089082542 XVQOYKOLCYELPU-UHFFFAOYSA-N 344.331 -0.087 5 20 EBBD Nc1nc(NCCNC(=O)c2cnc3n2CCC3)ncc1[N+](=O)[O-] 1094214538 JMPBAIDKGCZPQV-UHFFFAOYSA-N 332.324 -0.048 5 20 EBBD COc1ncc(C(=O)NCCCNc2ncc([N+](=O)[O-])c(N)n2)cn1 1094557717 QKPGHMMNOIPVEK-UHFFFAOYSA-N 348.323 -0.002 5 20 EBBD CN(CCCNC(=O)Cc1ncc[nH]1)c1ncc([N+](=O)[O-])c(N)n1 1095617569 LCXIMCQSQXLBEM-UHFFFAOYSA-N 334.340 -0.125 5 20 EBBD O=C(c1cnn[nH]1)N(CCO)CCNc1ccnc(O)c1[N+](=O)[O-] 1111585729 KBGDXFCZQXRDAQ-UHFFFAOYSA-N 337.296 -0.640 5 20 EBBD CCN1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1=O 1117347244 LCMPPUWPJSLDFI-UHFFFAOYSA-N 348.359 -0.056 5 20 EBBD COCCONC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC 1117619048 LHZCIGRTGBDWBW-UHFFFAOYSA-N 327.293 -0.086 5 20 EBBD NC(=O)CC(=O)NCC1=CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 1127633425 SUAJGJVCIADQDF-UHFFFAOYSA-N 335.324 -0.905 5 20 EBBD CCn1nncc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C 1157531621 BVDIRRZHSRJLCV-UHFFFAOYSA-N 336.356 -0.151 5 20 EBBD Cc1nn(Cc2cn(C)nc2[N+](=O)[O-])c(=O)c(-c2nn[nH]n2)c1C 1592438292 WFJUQQHSRUYRAE-UHFFFAOYSA-N 331.296 -0.270 5 20 EBBD Nc1c([N+](=O)[O-])ccc(N2CC[C@@H](O)[C@@H](CO)C2)c1-c1nn[nH]n1 1592756644 JHSDWGYZCVGJKC-GMSGAONNSA-N 335.324 -0.463 5 20 EBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC(NCCO)CC1 1593465927 JVKUFGFVFWUVJJ-UHFFFAOYSA-N 334.340 -0.279 5 20 EBBD COCCNC(=O)CN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 52719709 UBJDLQKJRMXBND-UHFFFAOYSA-N 326.357 -0.787 5 20 EBBD CN1CCN(C(=O)[C@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)CC1 76268806 LHDJLUSFPFJFNP-SNVBAGLBSA-N 335.368 -0.290 5 20 EBBD O=C(O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 275333736 QUVQJWZVUDSRTO-VXNVDRBHSA-N 334.281 -0.058 5 20 EBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 276242714 CBCHQMRPUMTYQJ-NSHDSACASA-N 349.752 -0.141 5 20 EBBD CC(C)(CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)NS(C)(=O)=O 316220061 DRDLPNOKSKKHEN-JTQLQIEISA-N 335.386 -0.930 5 20 EBBD COc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1[N+](=O)[O-] 316482664 ZJYIAVRUYPPIPJ-KWQFWETISA-N 332.334 -0.423 5 20 EBBD O=[N+]([O-])c1cnc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)s1 337013970 JLBUCMSMGHPWQX-RKDXNWHRSA-N 348.406 -0.669 5 20 EBBD COc1cc(OCC(=O)N2C[C@H](O)C[C@H]2CO)ccc1[N+](=O)[O-] 364329178 URPWJJCRDGGQNS-VHSXEESVSA-N 326.305 -0.064 5 20 EBBD CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 372151151 ZVOXLZPOZAHDCR-VIFPVBQESA-N 349.390 -0.093 5 20 EBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1COC[C@H]1O 420975771 RFGZOWSCYIZJNY-QWHCGFSZSA-N 345.377 -0.435 5 20 EBBD CN1C(=O)C[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1=O 563480221 ULUQKWYDJTXIPY-VIFPVBQESA-N 344.287 -0.337 5 20 EBBD Cn1nccc1C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 961155639 KCSHJZBLBWFIPS-LSCVPOLPSA-N 333.348 -0.384 5 20 EBBD Cn1cnc(C(=O)N2CC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)c1 965376360 PKGRTUNTSJCGQN-ZYHUDNBSSA-N 349.347 -0.861 5 20 EBBD CCc1cnc(CC(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)[nH]1 976477599 LZUOXYQYPQQXMJ-OVKLUEDNSA-N 347.375 -0.247 5 20 EBBD COc1ncc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 979242616 PBPPHFUQRALRTB-SASUGWTJSA-N 349.347 -0.225 5 20 EBBD O=C(c1cn2cccnc2n1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011112663 ZFOGCQOMNGYGGT-ZYHUDNBSSA-N 344.331 -0.321 5 20 EBBD Cn1nc2c(c1C(=O)N1CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC1)CCC2 1011112888 UVKJDAKYNIZNSZ-DGCLKSJQSA-N 347.375 -0.142 5 20 EBBD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1=COCCC1 1041977094 YMPHDBTYLQNGIP-GHMZBOCLSA-N 325.321 -0.965 5 20 EBBD CCCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1046193729 PGPXZULQQRTCRH-GHMZBOCLSA-N 325.365 -0.079 5 20 EBBD CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1cnnn1 1067389455 ZQNIGHHSKIFFBV-GHMZBOCLSA-N 339.356 -0.965 5 20 EBBD CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)Cn1ncn(C)c1=O 1106880564 DBNVCPGNFBVJGE-UHFFFAOYSA-N 349.351 -0.154 5 20 EBBD O=C(Cn1ncnn1)NC/C=C/CNc1ccnc(O)c1[N+](=O)[O-] 1107354399 DAAWCGAOTHRKOP-OWOJBTEDSA-N 334.296 -0.534 5 20 EBBD O=C(NCCC1=CCN(Cc2nc(O)n[nH]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1160096958 CNNNYBRZOWUHFM-GHMZBOCLSA-N 336.352 -0.186 5 20 EBBD O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H](O)CN1CCCC1=O 1319305304 OULOFWFBMXUUDS-NSHDSACASA-N 325.325 -0.719 5 20 EBBD COCCO[C@H]1C[C@H](CO)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 1322765635 NQHRAIKKALBVNT-UWVGGRQHSA-N 328.325 -0.196 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cncc(-c2nn[nH]n2)c1 1592399882 YOKWEGGZLJJGFQ-UHFFFAOYSA-N 343.307 -0.009 5 20 EBBD O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1C[C@@H](CO)[C@H](CO)C1 1593482699 PVBLWRHRTCTLFF-UWVGGRQHSA-N 334.336 -0.193 5 20 EBBD CNS(=O)(=O)[C@H]1CCN(c2nccc(C(=O)O)c2[N+](=O)[O-])C1 1598669276 JRZSTDXXASBPFF-ZETCQYMHSA-N 330.322 -0.184 5 20 EBBD COCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66982517 PAMHZJCJFNMGLQ-UHFFFAOYSA-N 346.365 -0.181 5 20 EBBD O=C1NC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O 269636759 HSAYBJDADHUINY-OLZOCXBDSA-N 334.332 -0.729 5 20 EBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CC(C(N)=O)=NO1 275841752 FALJGNPVZKWHFZ-QMMMGPOBSA-N 342.333 -0.188 5 20 EBBD COc1ccc(S(=O)(=O)N2CC[C@](O)(C(N)=O)C2)cc1[N+](=O)[O-] 276329004 OQFFMCUVPYPZGT-GFCCVEGCSA-N 345.333 -0.786 5 20 EBBD COc1cc(S(=O)(=O)N2CCOC[C@@H](O)C2)ccc1[N+](=O)[O-] 295441077 YJNXQEYJJLHJAF-VIFPVBQESA-N 332.334 -0.015 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCNS(C)(=O)=O 299475140 CVTFVDHJSFBEPB-UHFFFAOYSA-N 333.370 -0.455 5 20 EBBD CC1(O)CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 338606319 GBHXTGHJTOUOQJ-UHFFFAOYSA-N 343.361 -0.144 5 20 EBBD Cn1cc(NC(=O)C(=O)NCCNc2ccc([N+](=O)[O-])cc2)nn1 339847687 PACABVMFUQEZQE-UHFFFAOYSA-N 333.308 -0.110 5 20 EBBD CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N 351162992 IKLBCBZSAIZEIO-MRVPVSSYSA-N 343.365 -0.274 5 20 EBBD COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc([N+](=O)[O-])cnc1N 351690676 CHVMLILOGDXINM-JTQLQIEISA-N 334.292 -0.191 5 20 EBBD C[C@H](CC(N)=O)Nc1nc(N[C@H](C)CC(N)=O)c([N+](=O)[O-])s1 441809100 ADVPGAOBGGEVQZ-PHDIDXHHSA-N 330.370 0.403 5 20 EBBD CS(=O)(=O)N1CC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 494277504 RPIMDECAMNHDFB-UHFFFAOYSA-N 349.390 -0.236 5 20 EBBD CN1C[C@@H](NS(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])CC1=O 575064252 XOWSOYGHUSPJGV-QMMMGPOBSA-N 343.317 -0.198 5 20 EBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cnc(O)c([N+](=O)[O-])c1 598030351 UMKKNSPFOSJBQD-CBAPKCEASA-N 331.306 -0.763 5 20 EBBD Cn1cc(N2C[C@@H](C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2=O)cn1 599698827 YDBXIWOIOXJINK-JTQLQIEISA-N 347.335 -0.306 5 20 EBBD Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)NCC(=O)OC(C)(C)C 751500873 DMAOSRMNXGGLMU-UHFFFAOYSA-N 342.308 -0.057 5 20 EBBD NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 768864819 CIUGWHAREXNPMO-ZCFIWIBFSA-N 341.392 -0.292 5 20 EBBD CN(C1CCOCC1)S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 769451696 OBVKQFXULHIWCF-UHFFFAOYSA-N 333.370 -0.264 5 20 EBBD Cc1nn(CCC(=O)NC[C@@H]2CC(C(N)=O)=NO2)c(C)c1[N+](=O)[O-] 787931812 YYEWUXJNYMOXQL-VIFPVBQESA-N 338.324 -0.455 5 20 EBBD CN(C(=O)c1ccc(O)nn1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 953735207 QFESXKJKRFPLEP-ZYHUDNBSSA-N 349.347 -0.090 5 20 EBBD 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CC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] 1847493015 MSGGCKYDQCQRSE-ATZCPNFKSA-N 337.336 -0.096 5 20 EBBD NC(=O)CNC(=O)c1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 55342487 CBSVYGIURBYNKB-UHFFFAOYSA-N 346.303 -0.355 5 20 EBBD C[C@H]1[C@H](C)S(=O)(=O)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 75749889 IXOAZMHTVVPEOZ-NHCYSSNCSA-N 332.382 -0.340 5 20 EBBD C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 247547510 PPLYHNJOCLVLAC-CKYFFXLPSA-N 334.398 -0.094 5 20 EBBD COc1ccc(S(=O)(=O)NN2CC(=O)N(C)C2=O)cc1[N+](=O)[O-] 272805317 BKKPCFATQHUWFI-UHFFFAOYSA-N 344.305 -0.309 5 20 EBBD CN(C)S(=O)(=O)NCCNC(=O)COc1ccccc1[N+](=O)[O-] 294615064 ISXXQOHNIXLHFB-UHFFFAOYSA-N 346.365 -0.514 5 20 EBBD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 346492352 XHOAIRDJYJFTHW-MRVPVSSYSA-N 346.369 -0.682 5 20 EBBD Cn1cc(-c2noc(Cn3ccc([N+](=O)[O-])n3)n2)c(=O)n(C)c1=O 350884512 UOBKAUAWGJPRLY-UHFFFAOYSA-N 333.264 -0.713 5 20 EBBD 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Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)c2cnn3cc[nH]c23)C1 1031311592 WCNIMETWLYELBV-UHFFFAOYSA-N 344.335 -0.082 5 20 EBBD CCN(C(=O)CCc1cnn[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1080574648 LDHYTZVTQDGVKM-VXGBXAGGSA-N 336.352 -0.538 5 20 EBBD CNC(=O)NCC(=O)N1CCCN(c2ncccc2[N+](=O)[O-])CC1 1095208246 DFLLILQDPQNUQD-UHFFFAOYSA-N 336.352 -0.043 5 20 EBBD CN(CCCNC(=O)c1cnnc(O)c1)c1ncc([N+](=O)[O-])c(N)n1 1095664094 HHFCBGDYKXSZQS-UHFFFAOYSA-N 348.323 -0.281 5 20 EBBD CCN(CCCNC(=O)CNC(C)=O)c1ncc([N+](=O)[O-])c(N)n1 1095816589 PUXRUEUWIICUMJ-UHFFFAOYSA-N 339.356 -0.564 5 20 EBBD CS(=O)(=O)CC(=O)NC/C=C\CNc1ccnc(O)c1[N+](=O)[O-] 1107106031 VJEBMKRYARDLOX-IHWYPQMZSA-N 344.349 -0.176 5 20 EBBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)N1CCCC1 1321983092 FBJQNHIYOGXZJA-UHFFFAOYSA-N 348.359 -0.008 5 20 EBBD COC(=O)[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 1328820181 HMYOTAHWWYKIDQ-CABZTGNLSA-N 339.304 -0.455 5 20 EBBD O=C(NCCCn1cccn1)C(=O)NCCn1cc([N+](=O)[O-])cn1 1344979520 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CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CCNC1=O 340497660 GPLKTGMFAGQMEW-JTQLQIEISA-N 348.315 -0.333 5 20 EBBD COc1cccc(C(=O)NCCNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 341860340 PTBZJFNTOHETPH-UHFFFAOYSA-N 348.319 -0.259 5 20 EBBD COCC[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(N)=O 352951158 GDBPQZCIKZZPED-JTQLQIEISA-N 331.350 -0.095 5 20 EBBD CN1CCNC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 567580986 JYOKZQLIMYHBCG-NSHDSACASA-N 336.348 -0.001 5 20 EBBD COCCOCCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 593886214 GAZKMTVYUVJKRN-UHFFFAOYSA-N 341.368 -0.402 5 20 EBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 594365369 LJGIVNULIGMDSH-UMSGYPCISA-N 340.357 -0.028 5 20 EBBD O=C1NCC[C@H]1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 597499633 FRDDVGXNHQHDEI-LLVKDONJSA-N 341.345 -0.379 5 20 EBBD COc1ccc(NC(=O)[C@@H](C)N2C[C@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 599532528 MIEGNNCSEBBACO-JCOFBHIZSA-N 325.321 -0.032 5 20 EBBD Cc1nnc(S)n1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 742182768 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CNC(=O)CN(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 299260384 DGCUGQHVFYBZNW-UHFFFAOYSA-N 334.288 -0.605 5 20 EBBD CS(=O)(=O)c1ccc(C(=O)N[C@@]2(CO)CCOC2)cc1[N+](=O)[O-] 338188115 XZKYSQBLNVRTHF-CYBMUJFWSA-N 344.345 -0.121 5 20 EBBD NC(=O)COCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 353170783 COLIPQNSWCUQNL-UHFFFAOYSA-N 334.292 -0.593 5 20 EBBD NC(=O)Cn1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])nn1 360236848 DZCYAODXZFOPFD-UHFFFAOYSA-N 333.308 -0.487 5 20 EBBD NC(=O)COc1cccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 361946966 JIXKBQFWBBZREL-UHFFFAOYSA-N 333.304 -0.028 5 20 EBBD CCC[C@H](O)[C@@H](CO)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 412516709 KLUIULMYVDGFPS-OLZOCXBDSA-N 339.348 -0.037 5 20 EBBD COC(=O)CNC(=O)CNC(=O)COc1ccc([N+](=O)[O-])cc1 537723084 AIGICPYXQMPHTA-UHFFFAOYSA-N 325.277 -0.621 5 20 EBBD N[C@@H]1C[C@@H]2CN(c3nc(O)c4cc([N+](=O)[O-])ccc4n3)CCN2C1=O 583575488 HOBWTVFIOAGNDD-MWLCHTKSSA-N 344.331 -0.008 5 20 EBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1nc(N)n[nH]1 590550466 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EBBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@H](O)C[C@@H]2CO)cc1 274225710 ZZCUYNXJMZKZCU-VXGBXAGGSA-N 330.362 -0.204 5 20 EBBD C[C@]1(C(N)=O)CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 280283632 PXTZTVODZIERKJ-LBPRGKRZSA-N 328.350 -0.056 5 20 EBBD CC(C)[C@H](C(=O)O)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1=O 455795847 PTHPCRYESOVEFS-OIBJUYFYSA-N 339.308 -0.242 5 20 EBBD CCn1cc(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)c([N+](=O)[O-])n1 551316055 CQSMNFGIQNOFQM-ZETCQYMHSA-N 334.310 -0.715 5 20 EBBD CNc1nccc(C(=O)NCCCN2CCN(C)CC2)c1[N+](=O)[O-] 594214995 KPKUIXBRBKYVDP-UHFFFAOYSA-N 336.396 0.399 5 20 EBBD CC[C@@H](NC)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 595924431 JQPXGMQXOWGJRI-SNVBAGLBSA-N 344.393 -0.013 5 20 EBBD O=[N+]([O-])c1c(N[C@H]2CCS(=O)(=O)C2)ncnc1N1CCOCC1 598586473 GKSPVMBJHYIGMD-VIFPVBQESA-N 343.365 -0.180 5 20 EBBD CCn1cc(S(=O)(=O)NC[C@@H](O)CC(=O)OC)c([N+](=O)[O-])n1 599463710 YFFCOVKRATXDKB-ZETCQYMHSA-N 336.326 -0.987 5 20 EBBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cn(C)c(=O)n(C)c2=O)n1 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347.349 -0.362 5 20 EBBD CCn1cc(S(=O)(=O)NCc2ncnn2CC)c([N+](=O)[O-])n1 360368974 HAYKETOQFOOVAW-UHFFFAOYSA-N 329.342 -0.099 5 20 EBBD CC1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CNC1 423101646 WEQHEHFAXOVHNL-UHFFFAOYSA-N 342.377 -0.401 5 20 EBBD CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C 488800429 LJNDXUDLHJYUFO-SNVBAGLBSA-N 345.381 -0.360 5 20 EBBD O=C(O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CS(=O)(=O)CCO2)n1 569107148 OEBMMYJOIYGHIE-SSDOTTSWSA-N 331.306 -0.087 5 20 EBBD O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCS(=O)(=O)N1 593560014 QMBBWXZFDQMLMA-SECBINFHSA-N 325.306 0.101 5 20 EBBD NC(=O)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N[C@H]3C[C@H](C(N)=O)C3)n2)C1 599145239 YUWFDNWMVOWWTB-BECAKDQMSA-N 348.363 0.341 5 20 EBBD NC(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 762575351 ILVAMXJGJIIZPP-SSDOTTSWSA-N 329.338 -0.511 5 20 EBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCn1cnnn1 845951376 UWAWFRMVCZJFGE-UHFFFAOYSA-N 328.310 -0.432 5 20 EBBD Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2nc[nH]n2)CC1 846527300 PPHOFWRYXUGEQG-UHFFFAOYSA-N 332.324 -0.352 5 20 EBBD O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc[n+]([O-])cc1 979453698 VPRDGCKDYJBHEO-OJAKKHQRSA-N 334.332 -0.390 5 20 EBBD Cn1cc(C(=O)N2CCC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)nn1 1019013649 JBNULHCJKLFKQC-MWLCHTKSSA-N 334.336 -0.845 5 20 EBBD Cn1nc(C2CC2)nc1CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1031662276 AAMRTMCVNIWMGC-VXGBXAGGSA-N 334.380 -0.094 5 20 EBBD Nc1nc(NC2CCN(C(=O)Cn3ncnn3)CC2)ncc1[N+](=O)[O-] 1057374665 JFVPUHXVJOAJCO-UHFFFAOYSA-N 348.327 -0.943 5 20 EBBD Nc1nc(N2CCC(NC(=O)Cn3cccn3)CC2)ncc1[N+](=O)[O-] 1057837071 DZAXCKKUJKIERY-UHFFFAOYSA-N 346.351 -0.051 5 20 EBBD CS(=O)(=O)CCCC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 1093723123 KQUKSZRYDGREND-UHFFFAOYSA-N 346.369 -0.680 5 20 EBBD C[S@](=O)CCN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 1116400840 NKLCOLMIFLOXOD-QHCPKHFHSA-N 342.421 -0.247 5 20 EBBD C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCS1(=O)=O 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O=C(c1ncccn1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 961555224 VMXOKIHKIXIXJE-WRWGMCAJSA-N 331.332 -0.328 5 20 EBBD Cn1ccc(=O)c(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 979066001 PFLYCSOGZWMKKX-LSCVPOLPSA-N 348.359 -0.325 5 20 EBBD Cc1ncc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)n1 1003677913 WPQOAOQIDXXREK-DGCLKSJQSA-N 333.348 -0.053 5 20 EBBD COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 1011114935 NMOHUMHJVPFPKL-MWLCHTKSSA-N 335.320 -0.565 5 20 EBBD CCc1[nH]ccc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057486608 PSRLZKPBQPAFHS-DGCLKSJQSA-N 338.364 -0.207 5 20 EBBD Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1057543129 YANAHOKULJWTHZ-ZYHUDNBSSA-N 337.336 -0.999 5 20 EBBD Nc1nc(N2CCC(NC(=O)c3cnon3)CC2)ncc1[N+](=O)[O-] 1057890526 UKBLXLPYSXMCJL-UHFFFAOYSA-N 334.296 -0.251 5 20 EBBD Cc1nn[nH]c1C(=O)N[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 1059373691 UTPYTUYNEZZESB-LJGSYFOKSA-N 333.312 -0.234 5 20 EBBD CC(F)(F)C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074583707 MBWYCBMBLYZXGA-RKDXNWHRSA-N 335.307 -0.224 5 20 EBBD Nc1nc(N[C@H]2C[C@@H](CNC(=O)Cc3nc[nH]n3)C2)ncc1[N+](=O)[O-] 1091369364 QDOFLDUWEPWUMC-OCAPTIKFSA-N 347.339 -0.366 5 20 EBBD CC(=O)N(C)CC(=O)N1CCN(c2ccnc(O)c2[N+](=O)[O-])CC1 1093132604 JWFCSWYHOMAGAV-UHFFFAOYSA-N 337.336 -0.178 5 20 EBBD O=C(CN1C(=O)CNC1=O)NCCCNc1ncccc1[N+](=O)[O-] 1094425193 YSFKRBGINJOXPE-UHFFFAOYSA-N 336.308 -0.540 5 20 EBBD CN(CCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)Cn1cnnc1O 1105386233 FFBFNMJXKZYFQV-UHFFFAOYSA-N 335.324 -0.118 5 20 EBBD CC(=O)NCC(=O)NCCOCCN(C)c1ccc([N+](=O)[O-])cn1 1115160729 DAACTOFGBHSHQD-UHFFFAOYSA-N 339.352 -0.305 5 20 EBBD Cn1cc(OCC(=O)NCCNCc2c([N+](=O)[O-])ncn2C)cn1 1132961014 DTQFGYKGUQDLBD-UHFFFAOYSA-N 337.340 -0.653 5 20 EBBD CC(=O)NCC(C)(C)C(=O)NCCNCc1c([N+](=O)[O-])ncn1C 1135170260 WOQXOSJNZPNXRV-UHFFFAOYSA-N 340.384 -0.304 5 20 EBBD O=C(CN1CC(=O)NC1=O)NCCNCc1csc([N+](=O)[O-])c1 1135457219 OEVUDKBPTUYVOP-UHFFFAOYSA-N 341.349 -0.586 5 20 EBBD COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCN2CCOC[C@H]2C1 1343184543 RCUKKNBDUIUZTR-VXGBXAGGSA-N 340.384 -0.217 5 20 EBBD Nc1c([N+](=O)[O-])cnn1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 1609511117 YCSPZYQIPNPLKO-UHFFFAOYSA-N 343.307 -0.130 5 20 EBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC1CNC1 262061038 YYBZFZZTXPDRAV-UHFFFAOYSA-N 342.377 -0.401 5 20 EBBD COc1cc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] 268228335 DYDIZGPFWHWOBO-LLVKDONJSA-N 345.333 -0.522 5 20 EBBD CNC(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 270522923 UATBQQWRUUUSOD-UHFFFAOYSA-N 349.347 -0.192 5 20 EBBD CCc1[nH]nc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1[N+](=O)[O-] 270821963 BFGBCEBLEVHTBD-QMMMGPOBSA-N 325.325 -0.455 5 20 EBBD Cc1cc(C(=O)NCC(=O)N[C@]2(CO)CCOC2)ccc1[N+](=O)[O-] 273576831 LYMHVZUKUZSSTG-HNNXBMFYSA-N 337.332 -0.099 5 20 EBBD O=C(O)[C@@H](O)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 274870945 APICFYSYGBRUDA-NSHDSACASA-N 332.334 -0.108 5 20 EBBD COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 275431746 AXCOSEYEIIJAJD-GXFFZTMASA-N 339.304 -0.719 5 20 EBBD NS(=O)(=O)c1ccc(NCCC(=O)NCCCO)c([N+](=O)[O-])c1 298461113 UWHAXGPEHIYKIF-UHFFFAOYSA-N 346.365 -0.457 5 20 EBBD Cn1ncc([N+](=O)[O-])c1C(=O)NCCCn1nc2n(c1=O)CCCC2 347174186 WTZPLVXIJCCXSO-UHFFFAOYSA-N 349.351 -0.157 5 20 EBBD CC(C)(CN)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 429888985 OOODFNGIYNUVMN-UHFFFAOYSA-N 344.393 -0.026 5 20 EBBD CNC(=O)CCNS(=O)(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-] 568006636 LXZLTNCSMRPVNE-UHFFFAOYSA-N 331.306 -0.293 5 20 EBBD CN(C)C(=O)CN1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 589557572 BCRSAMQZBSNZEP-UHFFFAOYSA-N 336.352 -0.701 5 20 EBBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 597736123 KARWZTVSICNROI-SECBINFHSA-N 345.381 -0.279 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)n1 599328859 ALXUONHFTBXGJC-KYZUINATSA-N 345.381 -0.102 5 20 EBBD COc1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] 599900553 XBQJYYMWUAWYDF-SNVBAGLBSA-N 338.320 -0.354 5 20 EBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1nn[nH]n1 609532899 SJJIYYOOUMLIMZ-UHFFFAOYSA-N 331.248 -0.980 5 20 EBBD Cc1c(S(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)cnn1C 813952990 QWAIXFHEMPIQDS-UHFFFAOYSA-N 328.310 -0.662 5 20 EBBD CNS(=O)(=O)CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 863429345 CQQVDGUJGKHXRK-LLVKDONJSA-N 331.350 -0.316 5 20 EBBD COc1cc(O)ncc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991288335 YFTDLVQGTKAWEM-PSASIEDQSA-N 336.304 -0.598 5 20 EBBD COc1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)sn1 991290868 POBASBZGUSVZGT-HTQZYQBOSA-N 326.334 -0.243 5 20 EBBD Cc1nc2c(C(=O)NC3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)ccnc2[nH]1 997595511 UAAWZZKJYOSZHJ-GHMZBOCLSA-N 344.331 -0.128 5 20 EBBD CCn1ncc(C(=O)N[C@H]2C[C@H](NCc3c([N+](=O)[O-])ncn3C)C2)n1 1020130328 VTCMLGZWNJMWNI-MGCOHNPYSA-N 348.367 -0.010 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@@H](NC(=O)c2cnn(C)c2N)C1 1021997036 QRWFKRXYNUUWSZ-DTORHVGOSA-N 348.367 -0.305 5 20 EBBD Cn1nnc(C(=O)N2C[C@@H]3CN(c4ncccc4[N+](=O)[O-])C[C@@H]3C2)n1 1066050823 SJNSFZDWZKCZCZ-AOOOYVTPSA-N 344.335 -0.278 5 20 EBBD COCC(=O)NCCC(=O)NCCNc1ncc([N+](=O)[O-])cc1C 1094198600 RLIFNOPKHCBZIX-UHFFFAOYSA-N 339.352 -0.021 5 20 EBBD Cn1cc(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)ccc1=O 1094258701 VGBWHTYOAIFWNH-UHFFFAOYSA-N 333.308 -0.492 5 20 EBBD CN(CCN(C)c1ncc([N+](=O)[O-])c(N)n1)C(=O)Cn1ccnc1 1105419463 ZTMPDDJQQQXXAE-UHFFFAOYSA-N 334.340 -0.242 5 20 EBBD C[C@@]1(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCO1 1324534741 IPZIMVWUUYNFMB-ZDUSSCGKSA-N 325.325 -0.407 5 20 EBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1331197018 PPMSVDOBDIMZOM-MRVPVSSYSA-N 331.354 -0.518 5 20 EBBD C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[C@@H](C)N 1589911449 DMHSENMEXSXOEG-RQJHMYQMSA-N 341.353 -0.211 5 20 EBBD Nc1cc(N2CC[C@@H](CO)[C@H](O)C2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] 1606450975 IDBPDPLWNJBUBW-WRWORJQWSA-N 335.324 -0.463 5 20 EBBD CS(=O)(=O)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 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Cc1cc(C(=O)NCC(=O)NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] 423991293 LNENDKMSKNYFPS-LBPRGKRZSA-N 336.348 -0.262 5 20 EBBD COC(=O)CNC(=O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 538825907 CYGWNLXUCDXBMR-UHFFFAOYSA-N 335.276 -0.510 5 20 EBBD O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@]1(OCCO)CCOC1 596505214 PPPYIZCWUQGCHM-ZDUSSCGKSA-N 343.340 -0.742 5 20 EBBD Cc1c(C(=O)NN2CC(=O)NC2=O)nnn1-c1cccc([N+](=O)[O-])c1 743286753 HBPXRHGECAGEHL-UHFFFAOYSA-N 345.275 -0.319 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])cn1)NS(=O)(=O)c1ncccc1F 791944870 SWKFDMWRMSMOCF-UHFFFAOYSA-N 329.269 -0.170 5 20 EBBD NS(=O)(=O)c1ccc(N2CCN3C(=O)OC[C@@H]3C2)cc1[N+](=O)[O-] 853448372 MWBXSGGBHFWJPI-VIFPVBQESA-N 342.333 -0.117 5 20 EBBD NC(=O)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 858821339 FFUDFYTYIUSCHC-SECBINFHSA-N 344.349 -0.677 5 20 EBBD O=C(N[C@H]1[C@@H]2CN(C(=O)c3ccc(O)nn3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 976479981 CNSBZKUISRDPRL-RCYRUSIOSA-N 333.304 -0.966 5 20 EBBD 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CCNC(=O)CC(=O)N(CCO)CCNc1ccc([N+](=O)[O-])cn1 1111453694 RXPWYYYCVDBVRP-UHFFFAOYSA-N 339.352 -0.251 5 20 EBBD COCCO[C@@H]1COCC[C@@H]1NC(=O)c1c([N+](=O)[O-])cnn1C 1116688999 DJGUVWDRLNBZHT-GXSJLCMTSA-N 328.325 -0.121 5 20 EBBD C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1325571808 XDCUBFGBYSIEOH-WDEREUQCSA-N 339.352 -0.473 5 20 EBBD COC(=O)CN(CC(=O)O)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1606464358 XCQFWJHGFKKBMO-LBPRGKRZSA-N 326.261 -0.286 5 20 EBBD O=C(NC1(CCO)CN(C(=O)c2cc(F)c[nH]2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1756082019 LWPLPJKCXYWMQP-MWLCHTKSSA-N 340.311 -0.488 5 20 EBBD CCS(=O)(=O)C[C@@H](C)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 247483240 KHKSASYATMKLBK-ZYHUDNBSSA-N 334.398 -0.093 5 20 EBBD CC(C)[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 262146616 QJXLDVGSKHUCBE-LBPRGKRZSA-N 344.393 -0.027 5 20 EBBD CS(=O)(=O)NCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 270302416 SGCOAMRRYBBBQV-UHFFFAOYSA-N 330.366 -0.014 5 20 EBBD O=C(NC1CC1)N[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 274064886 UHJPGHNDPMAYBC-YPMHNXCESA-N 338.368 -0.312 5 20 EBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 276256198 DSIPKADOCSMCGU-NSHDSACASA-N 333.297 -0.655 5 20 EBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O 283508242 KDRZFRHTVOQGGP-MRVPVSSYSA-N 343.317 -0.361 5 20 EBBD O=C(c1cc([N+](=O)[O-])ncc1Br)N1C[C@H](O)[C@@H](O)C1 302357321 NMEIUNZQDIXNBE-YUMQZZPRSA-N 332.110 -0.070 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCN1S(C)(=O)=O 337970133 WXMPHXFRBFKDBD-SNVBAGLBSA-N 345.381 -0.360 5 20 EBBD NC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 351576238 MMJQFHSUVPKKHY-MRVPVSSYSA-N 339.283 -0.058 5 20 EBBD Cc1c(C(=O)NC2[C@H]3CNC[C@H]23)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 495121334 VMXWNBYITGLNFE-UWVGGRQHSA-N 340.361 -0.502 5 20 EBBD N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O 521463792 DIUFZZJDDIVSDJ-RYUDHWBXSA-N 347.331 -0.696 5 20 EBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NCCN1CCC(O)CC1 573021928 OMRVBZPEJATRHQ-UHFFFAOYSA-N 330.366 -0.275 5 20 EBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCO)C[C@@H](C)O 589237026 PSSSWNZKPNVQNQ-SECBINFHSA-N 334.350 -0.033 5 20 EBBD COC(=O)[C@H]1CNCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] 592388858 OVSOITQEMOACKL-SECBINFHSA-N 344.349 -0.485 5 20 EBBD O=C([C@H]1CSCN1C(=O)Cn1cnc([N+](=O)[O-])n1)N1CCCC1 604530925 PUFPFKHMDOUSND-SECBINFHSA-N 340.365 -0.290 5 20 EBBD C[C@@H](NC(=O)COC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)N(C)C 746593600 ZCQXAEYDPCZDAU-SECBINFHSA-N 341.324 -0.683 5 20 EBBD CC(=O)NCC(=O)NCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 763671311 QNITZOQPLFRRNJ-UHFFFAOYSA-N 337.288 -0.427 5 20 EBBD O=C(O)c1cc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc([N+](=O)[O-])c1 833296476 XISYSOYKLLHFTB-SNVBAGLBSA-N 348.271 -0.331 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2nccn3ccnc23)C1 954239316 DYBCLLZVDVIXTF-GHMZBOCLSA-N 344.331 -0.323 5 20 EBBD Cc1nn[nH]c1C(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 956442032 RLLLXKOFJDGJLH-NXEZZACHSA-N 336.352 -0.111 5 20 EBBD 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O=[N+]([O-])c1c(NC[C@H](O)Cn2ccnn2)cccc1-c1nn[nH]n1 1607078433 ZNRRJQVECWFNAK-QMMMGPOBSA-N 331.296 -0.161 5 20 EBBD O=[N+]([O-])c1cnc(N2CCN3CCOC[C@@H]3C2)c(-c2nn[nH]n2)c1 1607086256 JFPMFZPTTWQUKO-JTQLQIEISA-N 332.324 -0.309 5 20 EBBD CCNCCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 269154000 SFTIUDSRRXELJF-UHFFFAOYSA-N 330.366 -0.110 5 20 EBBD Cc1cc(C(=O)NCC(=O)N[C@@]2(CO)CCOC2)ccc1[N+](=O)[O-] 273576832 LYMHVZUKUZSSTG-OAHLLOKOSA-N 337.332 -0.099 5 20 EBBD CN(C)C(=O)CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 339266534 XLLLNYWRPOSADF-UHFFFAOYSA-N 344.349 -0.550 5 20 EBBD COC(=O)CCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C 349662682 OEEHXEKDHOKWSS-LLVKDONJSA-N 339.352 -0.113 5 20 EBBD CCOC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 351949530 QCOVYNGOBBTPDW-GFCCVEGCSA-N 346.361 -0.019 5 20 EBBD CCOC(=O)[C@H](CO)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 360590569 FVYYXTDKMADGRP-LBPRGKRZSA-N 349.303 -0.171 5 20 EBBD CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 362567966 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CC[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825121475 RTHHNRQCDSRJAM-ZETCQYMHSA-N 342.337 -0.176 5 20 EBBD COc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ncn1 974110287 SDUKLBSDXWNRRW-PKIKSRDPSA-N 335.320 -0.473 5 20 EBBD Cc1nn(C)cc1C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 976479858 BXNCCHSTSJDBBK-ZMHPAJMFSA-N 333.348 -0.420 5 20 EBBD O=C(CC1=CCOCC1)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 977124865 FGBYTYMDKWSMOB-VVSAWPALSA-N 335.360 -0.039 5 20 EBBD Cc1nc[nH]c1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 978796317 SCQXZUMSQXYVIL-LSCVPOLPSA-N 335.364 -0.063 5 20 EBBD Cn1ccc(=O)c(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 980068652 PFLYCSOGZWMKKX-PRULPYPASA-N 348.359 -0.325 5 20 EBBD Cn1cncc1CC(=O)N1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1019015137 JVSDIBPTOJGYHU-CHWSQXEVSA-N 347.375 -0.311 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](NC(=O)Cn2cncn2)C1 1021018832 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COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCO)CCO 345499485 ZOMJZMDLAXMKFE-UHFFFAOYSA-N 348.333 -0.643 5 20 EBBD COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 370847094 YRADSZMOVGSTKS-QWRGUYRKSA-N 326.309 -0.030 5 20 EBBD COC(=O)c1cnc(N2CCC[C@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 432926588 YCBRSBBQFSTVAO-CQSZACIVSA-N 349.303 -0.045 5 20 EBBD CCN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1 593309732 AQUYJIKYLVNRPB-UHFFFAOYSA-N 331.306 -0.211 5 20 EBBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)N1 593389337 VDCMXRQQJMSZER-NSHDSACASA-N 328.350 -0.185 5 20 EBBD O=[N+]([O-])c1c(NC[C@H]2CN3CCN2CC3)ncnc1N1CCOCC1 598608261 UXXNSGJLLWADHU-LBPRGKRZSA-N 349.395 -0.367 5 20 EBBD NC(=O)CONC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 772931472 LAZOQDAJKVFUEG-UHFFFAOYSA-N 328.306 -0.681 5 20 EBBD COC(=O)CNC(=O)COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 778900283 UJGCONLCGMLBCP-UHFFFAOYSA-N 340.244 -0.231 5 20 EBBD CC(C)c1[nH]nc(C(=O)NCCC(=O)NS(C)(=O)=O)c1[N+](=O)[O-] 800553941 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344.331 -0.141 5 20 EBBD Cn1ncc(C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1017440916 ROWQEMRESMLCPQ-ZYHUDNBSSA-N 334.336 -0.631 5 20 EBBD O=C(NCCN1CCN(c2ncccc2[N+](=O)[O-])CC1)c1nc[nH]n1 1096285395 JGSJAYFDKCOZCV-UHFFFAOYSA-N 346.351 -0.340 5 20 EBBD CN(C)C(=O)CC(=O)NCCN(C)c1ccnc(O)c1[N+](=O)[O-] 1100352540 DTRKLAZVHSHAPH-UHFFFAOYSA-N 325.325 -0.274 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)CCCC(N)=O)CC1 1113728979 XBZCOUGKAYBGEC-UHFFFAOYSA-N 338.368 -0.372 5 20 EBBD CN(CCOCCNC(=O)Cn1cncn1)c1ncccc1[N+](=O)[O-] 1115209994 UULGFFUPTCCMIA-UHFFFAOYSA-N 349.351 -0.150 5 20 EBBD CNS(=O)(=O)[C@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 1319399593 RRZFNEVXGAWUPI-QMMMGPOBSA-N 331.354 -0.600 5 20 EBBD CN(CCS(C)(=O)=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1755529022 GUOFSIOSNXCNNG-VXGBXAGGSA-N 333.410 -0.381 5 20 EBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 51891885 HNMWNWBPOKHZNW-LLVKDONJSA-N 336.304 -0.446 5 20 EBBD CC[C@]1(C)NC(=O)N(CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O 269242821 SAJZKVHDUNDNMJ-ZDUSSCGKSA-N 338.324 -0.372 5 20 EBBD COC(=O)[C@H](CO)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 272232039 MCPPJWRNRCXCRJ-KCJUWKMLSA-N 339.304 -0.637 5 20 EBBD C[C@@H](O)C[C@@H]1COCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 274552343 UYZBZVNGSHMSDU-GHMZBOCLSA-N 327.341 -0.027 5 20 EBBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@](O)(C(N)=O)C2)c1C 276349301 RGBGVZDNIDAUNX-CYBMUJFWSA-N 343.361 -0.178 5 20 EBBD COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2=O)c([N+](=O)[O-])c1 283423062 BUQHEIFIJRVBDW-QMMMGPOBSA-N 343.317 -0.361 5 20 EBBD COC(=O)[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])OC 292379260 SQLIKIASKXZHKR-QMMMGPOBSA-N 333.322 -0.158 5 20 EBBD COc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O)c([N+](=O)[O-])c1 298116211 PVBSKOJJGLHLAN-UHFFFAOYSA-N 347.305 -0.918 5 20 EBBD Cc1c(C(=O)NCCn2ncnn2)nnn1-c1cccc([N+](=O)[O-])c1 338967096 QOAHVMBJTWFJQO-UHFFFAOYSA-N 343.307 -0.100 5 20 EBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)C(=O)OC 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Cn1cc(N2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2=O)cn1 548747208 JTMGUNWEBGHTSH-JTQLQIEISA-N 345.319 -0.159 5 20 EBBD COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 600059827 XUXGOCCJBSWJLI-SECBINFHSA-N 339.304 -0.118 5 20 EBBD CCOC(=O)C[C@H](O)Cn1cc(C(=O)OC)cc([N+](=O)[O-])c1=O 611232669 LGTAODVKCJWIAQ-VIFPVBQESA-N 328.277 -0.143 5 20 EBBD Cn1cnc(S(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)c1Cl 746434774 MIOJQDMGWVPQOF-UHFFFAOYSA-N 348.728 -0.317 5 20 EBBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN[C@@H](C(N)=O)C1 786761007 JMUUEXPECNGOQQ-SECBINFHSA-N 328.350 -0.738 5 20 EBBD CCCCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 794618691 LWDGRIOFRUNDJK-UHFFFAOYSA-N 338.368 -0.008 5 20 EBBD O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc2cncn2c1 995637551 LKYQNRNDUQBCGA-CHWSQXEVSA-N 329.316 -0.060 5 20 EBBD Cn1nnnc1CN1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1040701088 TWICJMZLNCBOML-VXGBXAGGSA-N 349.395 -0.310 5 20 EBBD Cc1nc(O)[nH]c1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 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CS(=O)(=O)CC1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 269062454 VGOWNPZEVVDLQN-UHFFFAOYSA-N 345.381 -0.085 5 20 EBBD CN(CC(C)(CO)CO)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 274699683 XXMPKJNWGBTFAK-UHFFFAOYSA-N 339.348 -0.226 5 20 EBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)NCC(=O)O 298379799 AQNSJKZUGMDRGL-UHFFFAOYSA-N 331.306 -0.618 5 20 EBBD CCN(CC)S(=O)(=O)CC(=O)NCCn1cc([N+](=O)[O-])cn1 345957239 OHVJYCGTONVWPW-UHFFFAOYSA-N 333.370 -0.421 5 20 EBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC1[C@H]3CNC[C@H]13)OCCO2 366287416 PGEXUFCICKDVEY-YUMQZZPRSA-N 341.345 -0.138 5 20 EBBD C[C@@H](NC(=O)C(=O)N1CCO[C@H](CN)C1)c1ccccc1[N+](=O)[O-] 419156809 VPXDPFORYHXNKA-GHMZBOCLSA-N 336.348 -0.042 5 20 EBBD CC(C)[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)N1CCOCC1 548955470 JDGJTCQDMHAELC-SNVBAGLBSA-N 325.325 -0.069 5 20 EBBD CC(C)N=c1[nH]c(=NCCO)[nH]c(=NCc2cccc([N+](=O)[O-])c2)[nH]1 557540882 AKHKPDNLGADPAQ-UHFFFAOYSA-N 347.379 -0.118 5 20 EBBD CN1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1=O 569653275 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CC(C)(CN1CCOCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 331348095 MUJSVQFYGFWXJU-UHFFFAOYSA-N 338.364 -0.017 5 20 EBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCn1ncnn1 338963344 SQEGZKSDOSYLGI-UHFFFAOYSA-N 333.308 -0.482 5 20 EBBD O=C(CO)N1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 340372784 XRMUJRZINSYERJ-ZDUSSCGKSA-N 339.348 -0.529 5 20 EBBD COC(=O)c1cc([N+](=O)[O-])cn(CCCS(=O)(=O)N(C)C)c1=O 356797020 PRZDLGIYIOYXQX-UHFFFAOYSA-N 347.349 -0.175 5 20 EBBD Cc1c(CNC(=O)CN2C(=O)C(=O)N(C)C2=O)cccc1[N+](=O)[O-] 360541966 XKESEHIXNCTVGC-UHFFFAOYSA-N 334.288 -0.060 5 20 EBBD O=C(O)c1cn(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 390199739 VIAZPQUXSQZJAF-UHFFFAOYSA-N 341.305 -0.137 5 20 EBBD C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CC(=O)N1 414325130 CGAUDJJSWVGHQR-SSDOTTSWSA-N 343.317 -0.198 5 20 EBBD C[C@@H](CN)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 417677004 GXTRFYCKCSDFRU-VIFPVBQESA-N 345.381 -0.481 5 20 EBBD Cc1c(CNC(=O)C(=O)N2CCO[C@H](CN)C2)cccc1[N+](=O)[O-] 419759440 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CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ncccc1[N+](=O)[O-] 433415402 SQXNBKZCAYHWPH-VIFPVBQESA-N 328.350 -0.271 5 20 EBBD CN(CC(=O)O)[C@H]1CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)C[C@H]1O 436845481 SVGOLPUJPQFRCV-CMPLNLGQSA-N 339.304 -0.498 5 20 EBBD CCn1cnc2c(c1=O)CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 439004397 HJCURKPZNAHTQI-GFCCVEGCSA-N 348.363 -0.213 5 20 EBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCOCCO 448359345 LPCFTCJWUDEOTO-SNVBAGLBSA-N 329.357 -0.048 5 20 EBBD COC[C@@](C)(O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 531116194 UZKNHNYWCDQNSP-AWEZNQCLSA-N 325.321 -0.162 5 20 EBBD CCS(=O)(=O)NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] 566106031 FAVGEYIUKMOVIR-NSHDSACASA-N 347.393 -0.137 5 20 EBBD NS(=O)(=O)CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593601147 SHRNZKPRAHDKQL-UHFFFAOYSA-N 338.367 -0.663 5 20 EBBD COC(=O)c1ccnc(NCCOCCS(N)(=O)=O)c1[N+](=O)[O-] 598624404 CFGQJMDLLFLJDH-UHFFFAOYSA-N 348.337 -0.507 5 20 EBBD CNS(=O)(=O)c1ccc(NC[C@H](O)CC(=O)OC)c([N+](=O)[O-])c1 599162534 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331.350 -0.300 5 20 EBBD CNC(=O)[C@H](C)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 346858882 AMZOFQDIOXSBOU-VIFPVBQESA-N 337.336 -0.355 5 20 EBBD COc1ccc([N+](=O)[O-])cc1C(=O)NCCNS(=O)(=O)N(C)C 353136217 KHFIWLPYZRHNSU-UHFFFAOYSA-N 346.365 -0.271 5 20 EBBD Nc1ccnc(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n1 353515053 NKWZUQYNIRVUBD-UHFFFAOYSA-N 330.304 0.013 5 20 EBBD C[C@@H]1CO[C@@H](CO)CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 353628410 TXTKTMZDZRVSDA-ZWNOBZJWSA-N 337.332 -0.067 5 20 EBBD Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)c([N+](=O)[O-])c1 548200062 YNQGEVKVDYBSTQ-ZETCQYMHSA-N 331.306 -0.490 5 20 EBBD CNC(=O)[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCO1 585707217 XCICOMNQQQIEPO-ZDUSSCGKSA-N 349.347 -0.264 5 20 EBBD O=C(CCN1CCCS1(=O)=O)OCCn1cc([N+](=O)[O-])cn1 748116245 NURMLWOYRAITSQ-UHFFFAOYSA-N 332.338 -0.240 5 20 EBBD COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)C(N)=O 778033989 YWYHMCCDPJNVLT-MRVPVSSYSA-N 335.313 -0.179 5 20 EBBD CC1(C)OCC(CO)(NC(=O)CCn2cc([N+](=O)[O-])cn2)CO1 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QOIRULGPFPJNFI-LLVKDONJSA-N 344.393 -0.133 5 20 EBBD COC[C@H](O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 338224333 WBNXJYKVJUNMJQ-SECBINFHSA-N 332.334 -0.265 5 20 EBBD Cn1nnnc1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 352204060 BWZPLPGATRNDHM-UHFFFAOYSA-N 329.280 -0.371 5 20 EBBD C[C@H](CC(N)=O)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 360488284 CCFNZJLWMDEXDQ-SSDOTTSWSA-N 345.333 -0.092 5 20 EBBD O=C(O)c1ccnc(NC[C@H]2CS(=O)(=O)CCO2)c1[N+](=O)[O-] 519550459 YASIZHUCQYGILJ-ZETCQYMHSA-N 331.306 -0.087 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](c2nc(O)n[nH]2)C1 559276033 BZDCOEWTKHZQDX-SECBINFHSA-N 348.319 -0.014 5 20 EBBD O=C(N[C@@H]1CCOC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 588045930 VOUQJFZTWGJQIH-SNVBAGLBSA-N 337.336 -0.140 5 20 EBBD COc1cc(S(=O)(=O)NC[C@H]2COCCN2)ccc1[N+](=O)[O-] 858627400 CLKZVAFETQNEIS-VIFPVBQESA-N 331.350 -0.130 5 20 EBBD C[C@H]1CN(C(=O)COC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 919380331 NLESVXFNVYRGAG-UWVGGRQHSA-N 326.309 -0.030 5 20 EBBD Cn1nccc1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 961457173 JULGEYYLSGLJFP-ZMJPVWNMSA-N 347.375 -0.455 5 20 EBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)Cn2cncc2C)C1 967947655 ZGMZAWOXRHGNND-CHWSQXEVSA-N 335.364 -0.084 5 20 EBBD Cc1cc(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n(C)n1 979754284 VXQQMCWRVHBCQF-HBJVGIJOSA-N 349.391 -0.053 5 20 EBBD O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnn2cc[nH]c12 980094445 IHOLMGFQMKOHQM-DNRKLUKYSA-N 346.347 -0.048 5 20 EBBD O=C(N[C@H]1[C@@H]2CN(Cc3nnnn3C3CC3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 1025776054 UUZANOGWIXMTGI-HMUNZLOLSA-N 333.352 -0.780 5 20 EBBD CSCC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1080855320 GYLMZLZTGZIYQX-NXEZZACHSA-N 331.394 -0.516 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)CCNC(N)=O)CC1 1113617483 UEXKXOHSAWQZHG-UHFFFAOYSA-N 339.356 -0.969 5 20 EBBD O=C(NCCOC1CCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 1321955561 KZHUYDCANDPWCC-UHFFFAOYSA-N 339.352 -0.017 5 20 EBBD CCN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)CN(C)C(C)=O 1754034974 ZNDANRYZOFFZIM-UHFFFAOYSA-N 340.384 -0.255 5 20 EBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CCNCC1 262526349 OYKBLOGILOXNMR-UHFFFAOYSA-N 344.393 -0.213 5 20 EBBD C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 270756806 KXKJXNDOCZECIH-SNVBAGLBSA-N 343.361 -0.192 5 20 EBBD CN(C)S(=O)(=O)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N 291673056 YTCDVHOSTPNIKB-UHFFFAOYSA-N 334.329 -0.063 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC(=O)Nc1cccnc1 337606230 BGFFUUPOCIXJDL-UHFFFAOYSA-N 331.288 -0.094 5 20 EBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CN(C)NC1=O 349704267 UEBBFUNQAGZUNP-LDYMZIIASA-N 335.320 -0.826 5 20 EBBD O=C(N=c1cc[nH]cc1[N+](=O)[O-])N(CCO)CCN1CCOCC1 359013507 BBLQFURIXRWWDW-UHFFFAOYSA-N 339.352 -0.430 5 20 EBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCO)CCOCCO 416563049 QQMHMSWNCAEYAG-UHFFFAOYSA-N 348.377 -0.105 5 20 EBBD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C 428066581 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CCc1cc(C(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)nn1C 976476341 DQPMTYYOISDKGZ-BLUODKFWSA-N 347.375 -0.166 5 20 EBBD COc1nccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 979758106 URGYQLAIHNMEAA-DNRKLUKYSA-N 349.347 -0.225 5 20 EBBD Cn1cc(Cl)c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1002110764 WZARQFOYIHNVJG-PSASIEDQSA-N 341.755 -0.073 5 20 EBBD Cn1nccc1CC(=O)N1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1019014310 XWGHSLCTKWXIRR-CHWSQXEVSA-N 347.375 -0.311 5 20 EBBD NC(=O)C(=O)N1CCC2(CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)C1 1064586058 KTGQWWVURXITIN-UHFFFAOYSA-N 349.351 -0.729 5 20 EBBD CCOCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1070113368 UEZPHQKEVLGDCC-GHMZBOCLSA-N 329.353 -0.530 5 20 EBBD NC(=O)CCCCC(=O)NCCCNc1ncc([N+](=O)[O-])c(N)n1 1094577479 GBXVUIDKIQPNNU-UHFFFAOYSA-N 339.356 -0.069 5 20 EBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCNC(=O)C1 1117572244 GJCYJABRXYYVCH-UHFFFAOYSA-N 336.304 -0.822 5 20 EBBD CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 1117714395 ZHKJCXNCEFVDSX-SDDRHHMPSA-N 336.352 -0.051 5 20 EBBD CN1CCCN(CCCNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1120574080 JVNRXRAGWAIGES-OAHLLOKOSA-N 340.428 -0.231 5 20 EBBD Cn1ncc([N+](=O)[O-])c1C(=O)NCCCN1CCC[C@H](C(N)=O)C1 1253912830 OBTAAQSUQJBOBR-JTQLQIEISA-N 338.368 -0.355 5 20 EBBD CC[C@H]1CO[C@H](C)CN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1329712815 WSFKHYCEYDIJGQ-MNOVXSKESA-N 339.352 -0.067 5 20 EBBD CN1CC[C@H](NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1=O 1346881166 SNRBYDCFQNMTIP-NSHDSACASA-N 334.332 -0.400 5 20 EBBD Nc1c([N+](=O)[O-])ccc(NCCN2CC[C@H](O)C2)c1-c1nn[nH]n1 1592756562 BCAHOFWMIBAGSR-QMMMGPOBSA-N 334.340 -0.164 5 20 EBBD CNS(=O)(=O)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 275904991 QMLAPLIPTSBZFS-UHFFFAOYSA-N 345.333 -0.340 5 20 EBBD C[C@@H](CO)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 281054416 RCWLEAIFEAWLHM-SECBINFHSA-N 331.350 -0.382 5 20 EBBD NC(=O)[C@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br 341727154 HAHDVDFFJDKGFF-VIFPVBQESA-N 346.137 -0.138 5 20 EBBD CN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1COC[C@@H]1O 342402227 CRKNWRRTHKCIQF-UWVGGRQHSA-N 345.333 -0.926 5 20 EBBD COc1cc(C(=O)N2CCOC[C@H]2C(N)=O)cc([N+](=O)[O-])c1OC 354994486 BGHSZDJCSRUTNP-JTQLQIEISA-N 339.304 -0.062 5 20 EBBD COc1ccc(C(=O)NCC(=O)N[C@@H](C)CC(N)=O)cc1[N+](=O)[O-] 360355895 SEVHQVSNZVWSFB-QMMMGPOBSA-N 338.320 -0.287 5 20 EBBD CNCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 417704304 SCTDFIYVGHFSBD-UHFFFAOYSA-N 345.381 -0.608 5 20 EBBD O=C(Cn1cnc([N+](=O)[O-])n1)NCCNC(=O)c1ccc(O)cc1 436682304 QMJPTMHLYDWSMH-UHFFFAOYSA-N 334.292 -0.562 5 20 EBBD O=C1CN(C(=O)Cn2cnc3sc([N+](=O)[O-])cc3c2=O)CCN1 515843297 YXKXRAVLKZKIJR-UHFFFAOYSA-N 337.317 -0.675 5 20 EBBD C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] 525972653 AKONXGIWLYTOFS-MRVPVSSYSA-N 335.363 -0.203 5 20 EBBD C[C@@H]1[C@H](O)CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 590881633 UFHUOCCLUHZZHZ-MWLCHTKSSA-N 343.361 -0.145 5 20 EBBD COCC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC 599309612 IGXOGUCEEBVCOQ-ZETCQYMHSA-N 336.326 -0.815 5 20 EBBD COC(=O)C[C@H](O)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 600465239 UQAXUQUJWBIZEI-NSHDSACASA-N 349.303 -0.171 5 20 EBBD C[S@](=O)CCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 741294069 OAGYTNZXRZCZIU-QFIPXVFZSA-N 329.382 -0.686 5 20 EBBD CN(C(=O)c1nccn2ccnc12)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 955014879 SXTUZEBPSXVGSW-GHMZBOCLSA-N 344.331 -0.323 5 20 EBBD Cn1c(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)cccc1=O 977155574 GHLDKOMQFZKJAU-HRKIMZGRSA-N 346.343 -0.763 5 20 EBBD CC(=O)Nc1c[nH]c(C)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991289898 HFRIGOZSBCQSDQ-ZYHUDNBSSA-N 349.347 -0.113 5 20 EBBD CCn1ccc(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1001806778 YRALGTDPFSPMGB-CHWSQXEVSA-N 335.364 -0.315 5 20 EBBD O=C(NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cncnc1O 1017527508 GSDJWZHGJWIHMP-ZYHUDNBSSA-N 347.331 -0.264 5 20 EBBD 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O=[N+]([O-])c1ccc(N[C@@H](CO)CN2CCOCC2)c(-c2nn[nH]n2)c1 1593478488 JDPBLQBSSXGXBS-SNVBAGLBSA-N 349.351 -0.120 5 20 EBBD COc1ccc(C(=O)NCC(=O)O[C@H](C)C(N)=O)cc1[N+](=O)[O-] 28848821 LUAIAPVJUDQTLJ-SSDOTTSWSA-N 325.277 -0.250 5 20 EBBD CS(=O)(=O)NCCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 41853933 FTZYLPMTIAZUGR-UHFFFAOYSA-N 344.349 -0.411 5 20 EBBD CNS(=O)(=O)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] 221042092 WMVHFKHBXHEYPE-UHFFFAOYSA-N 337.379 -0.041 5 20 EBBD COC(=O)C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 269173512 YXYPNRWGFWBADI-NSHDSACASA-N 341.324 -0.235 5 20 EBBD CS(=O)(=O)N1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2O)C1 269880613 RSIQFUCSYAQYHW-MRVPVSSYSA-N 344.349 -0.293 5 20 EBBD CS(=O)(=O)CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 270073499 OZAALONVIURJNP-UHFFFAOYSA-N 343.361 -0.208 5 20 EBBD C[C@H](O)C[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 274444302 STUFFMVNLALOEW-CMPLNLGQSA-N 325.321 -0.245 5 20 EBBD COc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)c([N+](=O)[O-])c1 274912819 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CS(=O)(=O)NC[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 339194723 XQNLVMYEFZBFGZ-SNVBAGLBSA-N 345.381 -0.421 5 20 EBBD Cn1cnc(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 349411346 KWBDSUWGCJGVMS-UHFFFAOYSA-N 340.321 -0.360 5 20 EBBD C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)S(N)(=O)=O 350621803 VIIHOUBDTFDKMH-LURJTMIESA-N 327.322 -0.122 5 20 EBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCn1ncnn1 353133265 NSUMLUZLIYHOEQ-VIFPVBQESA-N 333.308 -0.484 5 20 EBBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN2C(=O)OC[C@H]2C1 366235549 QXANEYKDLGMLCY-SECBINFHSA-N 342.333 -0.117 5 20 EBBD C[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CC(=O)N1 414325134 CGAUDJJSWVGHQR-ZETCQYMHSA-N 343.317 -0.198 5 20 EBBD O=C(NC[C@H](N1CCNCC1)C(F)(F)F)c1cc([N+](=O)[O-])n[nH]1 423634578 QTEKSFHMZWPWJG-QMMMGPOBSA-N 336.274 -0.116 5 20 EBBD CN(CC(=O)O)[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1O 435699190 WTSSYYRSXCLQCV-VXGBXAGGSA-N 341.295 -0.064 5 20 EBBD CCn1cc(S(=O)(=O)N[C@H]2C(=O)NCC[C@@H]2C)c([N+](=O)[O-])n1 443079757 KKAAPVGORDNCMA-IONNQARKSA-N 331.354 -0.386 5 20 EBBD CCOC(=O)N1CC[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 496253010 IGLPDUBQQNUVGI-PWSUYJOCSA-N 327.341 -0.027 5 20 EBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cc([N+](=O)[O-])cn1C 530957974 NYVBEBWULLRBSQ-GFCCVEGCSA-N 326.353 -0.302 5 20 EBBD CC(CO)(CO)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 557178950 OXMXNWXEJGNBGJ-UHFFFAOYSA-N 325.321 -0.568 5 20 EBBD C[S@@](=O)C1(C(=O)O)CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 565040686 JOFODQWRLYSICZ-QFIPXVFZSA-N 329.338 -0.231 5 20 EBBD Cn1ccc(NC(=O)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])n1 580059088 RNURDPGBPWVZQI-UHFFFAOYSA-N 340.321 -0.360 5 20 EBBD CS(=O)(=O)NCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598588118 YPVNKRJEHIYMFG-UHFFFAOYSA-N 346.369 -0.818 5 20 EBBD COCCOCCN(CCO)S(=O)(=O)c1ncccc1[N+](=O)[O-] 599394631 YPXBFTGUNYSCMD-UHFFFAOYSA-N 349.365 -0.364 5 20 EBBD NC(=O)C(NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(N)=O 813071630 XTNSBRLFSKULLJ-UHFFFAOYSA-N 335.103 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CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C2(C(=O)NC)CC2)C1 1079743730 CPXMPRUPJAZVSO-GHMZBOCLSA-N 338.364 -0.763 5 20 EBBD CCN(C(=O)Cc1cncn1C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1080141555 LVYLLMSJNKJXNK-CHWSQXEVSA-N 335.364 -0.313 5 20 EBBD COCC(=O)N(C)CC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] 1094190406 IWNUAQXVVROJOK-UHFFFAOYSA-N 339.352 -0.069 5 20 EBBD CNS(=O)(=O)CC(=O)NCCCNc1ncc([N+](=O)[O-])cc1C 1094440005 BZTUEBRONPXPLX-UHFFFAOYSA-N 345.381 -0.234 5 20 EBBD Nc1nc(NCCCNC(=O)C(=O)NCC2CC2)ncc1[N+](=O)[O-] 1094545107 GIUINPNNCACBIA-UHFFFAOYSA-N 337.340 -0.589 5 20 EBBD CNC(=O)CC(=O)N1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 1095223953 FYLJJTXXXQJRNU-UHFFFAOYSA-N 337.340 -0.494 5 20 EBBD Cc1cnc(N(C)CCNC(=O)CN2C(=O)CCC2=O)c([N+](=O)[O-])c1 1100102548 NVYJOAVEBHFGNE-UHFFFAOYSA-N 349.347 0.000 5 20 EBBD CN(CCNC(=O)c1cccc(=O)n1C)c1ncc([N+](=O)[O-])c(N)n1 1100318735 CCOPACHMJMWIHW-UHFFFAOYSA-N 347.335 -0.468 5 20 EBBD Cc1ccc(N2CCC(CO)(NC(=O)C(N)=O)CC2)c([N+](=O)[O-])c1 1112673489 PDSMRYNRCBZZQI-UHFFFAOYSA-N 336.348 -0.164 5 20 EBBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NCCn1cncn1 1258139774 OQSFRBVCVJGRKY-UHFFFAOYSA-N 332.320 -0.339 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CC(=O)N(C2CC2)C1 1325091525 NMLOTTGGGOLPCK-SNVBAGLBSA-N 334.332 -0.116 5 20 EBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@H]1CCO 1326328594 HHYIXDZDINQVRS-JTQLQIEISA-N 325.325 -0.719 5 20 EBBD CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579186942 ORUYEVRSZGANJQ-GMSGAONNSA-N 348.323 -0.952 5 20 EBBD Cc1ocnc1C(=O)N(C)CCOCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1756374114 BQWNABDTFHXLNF-GHMZBOCLSA-N 340.336 -0.147 5 20 EBBD COC(=O)CNC(=O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 45805161 WICUDPZYQKUXGI-UHFFFAOYSA-N 345.333 -0.697 5 20 EBBD Cc1cc(C(=O)NCCOCCS(N)(=O)=O)ccc1[N+](=O)[O-] 288133558 DZXNODQLXJEUKD-UHFFFAOYSA-N 331.350 -0.062 5 20 EBBD C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 331375447 GQWMLTPZIIFEAX-VWYCJHECSA-N 334.332 -0.118 5 20 EBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](O)COC 338648965 GXQXUNFYOQNLFU-UWVGGRQHSA-N 329.357 -0.049 5 20 EBBD COCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)C(N)=O 343317751 AFQXDOZTGTUZKY-JTQLQIEISA-N 341.320 -0.011 5 20 EBBD O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cc([N+](=O)[O-])n[nH]1 353954620 KDQMOEGPAOORBI-LDDIKCJXSA-N 345.315 -0.145 5 20 EBBD Cn1cnnc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 487150556 BVTYEAZWEMLGLZ-UHFFFAOYSA-N 330.260 -0.042 5 20 EBBD CNC(=O)[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCO1 542864640 HMIHTVURZJNQIS-JTQLQIEISA-N 344.349 -0.807 5 20 EBBD O=C(NC1CC1)C(=O)N1CCN(c2ccnc(O)c2[N+](=O)[O-])CC1 596081503 UWKRDPLONIPBFQ-UHFFFAOYSA-N 335.320 -0.377 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2nnnn2CC2CC2)n1 599280380 BDYYFNUPEUZFIU-UHFFFAOYSA-N 342.341 -0.797 5 20 EBBD NS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)C1 738445316 RJXWKMYJVJTTKT-SNVBAGLBSA-N 343.317 -0.204 5 20 EBBD Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C(F)F)n1 994236495 YNIZKFWCVFGKHN-VXNVDRBHSA-N 343.290 -0.037 5 20 EBBD Cc1nnc(CC(=O)N2CCC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)o1 1019013977 PCPFDTOOBWZGOB-GHMZBOCLSA-N 349.347 -0.353 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2[C@H](NC(=O)c3cnccn3)[C@H]2C1 1025657107 YHOVYCKAXJGICD-IWIIMEHWSA-N 343.347 -0.022 5 20 EBBD Cc1n[nH]cc1C(=O)N[C@H]1[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@@H]21 1060458553 FZPMZBVFDAIAOC-JZYVYDRUSA-N 344.335 -0.137 5 20 EBBD CCCC(=O)NCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1079412261 HYTLYHMBQBFTJN-VXGBXAGGSA-N 340.380 -0.373 5 20 EBBD COCC(=O)NC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1317936672 RSWWCDKACITDSD-UHFFFAOYSA-N 325.325 -0.455 5 20 EBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCCCN2CCC(O)CC2)c1 1326232269 OKIHGZBCPXSSTP-CQSZACIVSA-N 327.385 -0.411 5 20 EBBD CCc1[nH]nc(C(=O)N2CCN(C)C[C@H](C(=O)O)C2)c1[N+](=O)[O-] 1610055352 GPSRVCLLTCLMLX-QMMMGPOBSA-N 325.325 -0.031 5 20 EBBD CN(CCOCCNC(=O)c1ccon1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1756371263 NUEWOWLUFXHAEX-MWLCHTKSSA-N 326.309 -0.455 5 20 EBBD COC[C@H](O)CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 268588130 FQTAHGZUZIMULP-BXKDBHETSA-N 325.321 -0.163 5 20 EBBD NC(=O)COCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 269306875 AHNORRUGUYYSKU-UHFFFAOYSA-N 338.320 -0.667 5 20 EBBD CS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] 338163511 QCXNASKMDZAMOK-UHFFFAOYSA-N 327.318 -0.430 5 20 EBBD CC(C)(C(N)=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 350859264 AIXDAEKQNFLHCT-UHFFFAOYSA-N 336.352 -0.406 5 20 EBBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)CO)CC2)s1 354879160 APICWAVZLKIVGF-UHFFFAOYSA-N 349.390 -0.299 5 20 EBBD COc1c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cccc1[N+](=O)[O-] 356312505 WMKWSSVQTFLHEP-JTQLQIEISA-N 334.288 -0.020 5 20 EBBD C[C@](O)(CNc1nccc(C(N)=O)c1[N+](=O)[O-])CN1CCOCC1 357484359 LADMRFKTZGACTH-AWEZNQCLSA-N 339.352 -0.416 5 20 EBBD NC(=O)N1CC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 358040374 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CS(=O)(=O)N1CC(CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 428878068 BENLULXFBXAEJT-UHFFFAOYSA-N 328.350 -0.202 5 20 EBBD COCCn1nnc2c1CCN(C(=O)c1ccnc(N)c1[N+](=O)[O-])C2 574052616 CQFMSEZSJFXHAH-UHFFFAOYSA-N 347.335 0.008 5 20 EBBD C[C@@H](N)CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 591418754 LKLIXMOJASZFKE-LLVKDONJSA-N 335.364 -0.293 5 20 EBBD CN=c1[nH]ccc(C(=O)N=c2ccn(CC(=O)N(C)C)[nH]2)c1[N+](=O)[O-] 594263337 XNTPAJMLFBVGCG-UHFFFAOYSA-N 347.335 -0.588 5 20 EBBD CO[C@](C)(CO)CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 594399361 TYWSLYJKSBPZRS-LBPRGKRZSA-N 347.349 -0.631 5 20 EBBD Cc1[nH]nc(C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)c1[N+](=O)[O-] 600736045 QDADIXCQZXPPFH-QMMMGPOBSA-N 347.353 -0.983 5 20 EBBD COc1ccc(C(=O)NCCC(=O)NS(C)(=O)=O)cc1[N+](=O)[O-] 763457887 NKWNUGYMWHWOKQ-UHFFFAOYSA-N 345.333 -0.201 5 20 EBBD COc1c(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cnn1C 954239619 MABZATCTPDKYIA-MWLCHTKSSA-N 337.336 -0.623 5 20 EBBD O=C(c1ccccn1)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 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20 EBBD Cn1nc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)ccc1=O 1064592266 GGPCIVSDLVFXCN-MWLCHTKSSA-N 349.347 -0.786 5 20 EBBD O=C(NC1(CO)CCN(C(=O)c2cccnc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1080855716 YRZAHTDOXDUWGI-CHWSQXEVSA-N 348.359 -0.170 5 20 EBBD Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C2CC(=O)NC(=O)C2)n1 1093741877 ZRUKVOFKRSOVIO-UHFFFAOYSA-N 335.320 -0.121 5 20 EBBD COCC(=O)N(C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 1101999401 BOGNMLRCXZVAIK-UHFFFAOYSA-N 339.352 -0.035 5 20 EBBD CCNC(=O)CC(=O)N(C)CCN(C)c1ncc([N+](=O)[O-])c(N)n1 1105368816 CHJRAWXCHJLGSX-UHFFFAOYSA-N 339.356 -0.612 5 20 EBBD COCCN(CCNC(=O)c1nc[nH]n1)c1ccc([N+](=O)[O-])cn1 1126384814 RUUFAKDNBHJZDE-UHFFFAOYSA-N 335.324 -0.009 5 20 EBBD NC(=O)[C@H]1CN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CCO1 1592723642 GITPPSXCRAAWPL-SNVBAGLBSA-N 337.271 -0.396 5 20 EBBD O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1602623867 NIRMRHRXPKOSKZ-CYBMUJFWSA-N 339.308 -0.681 5 20 EBBD NC(=O)CN1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1609503350 DFVAOGSXLMELTJ-UHFFFAOYSA-N 332.324 -0.618 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNC1(CNC(=O)CS(C)(=O)=O)CC1 1754509526 LUCSRSXLAPSJCM-UHFFFAOYSA-N 345.381 -0.889 5 20 EBBD C[C@@]1(C(=O)O)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 1776508503 PDODFKFWGXAQIJ-LBPRGKRZSA-N 345.333 -0.078 5 20 EBBD C[C@]1(C(=O)O)CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 1776508522 ZAVWMMGILXIHDI-GFCCVEGCSA-N 345.333 -0.078 5 20 EBBD COC(=O)c1cc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c[nH]1 269117919 GJYRLXWTSDLIPQ-UHFFFAOYSA-N 343.321 -0.116 5 20 EBBD Cn1[nH]cnc1=NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 355261211 OZXCUJGVFBCYLW-UHFFFAOYSA-N 330.260 -0.620 5 20 EBBD Cn1nnnc1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 357095175 KAVAZMACZPJGJK-UHFFFAOYSA-N 347.291 -0.840 5 20 EBBD Cc1c(C(=O)NC2[C@@H]3CNC[C@@H]23)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 495121333 VMXWNBYITGLNFE-NXEZZACHSA-N 340.361 -0.502 5 20 EBBD CC(C)NS(=O)(=O)CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 514788877 PMCXYIFCMPZULC-LLVKDONJSA-N 335.386 -0.930 5 20 EBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1cccc(OC)c1[N+](=O)[O-] 516298049 XTMGHTLNHHNXBB-VIFPVBQESA-N 337.288 -0.283 5 20 EBBD O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H](O)Cn2ccnn2)c1 571523996 PLWCBGNXYRXFMC-STQMWFEESA-N 337.336 -0.423 5 20 EBBD CCN1C[C@H](CNS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1=O 593640346 FSAQTSXMAPYCQB-VIFPVBQESA-N 345.381 -0.042 5 20 EBBD CCc1[nH]nc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)c1[N+](=O)[O-] 598031572 XYXSJSPGSANYEF-YUMQZZPRSA-N 332.338 -0.578 5 20 EBBD O=C(Nn1c(O)nnc1O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 820292165 QOBNZOGGFPXMOP-UHFFFAOYSA-N 332.236 -0.438 5 20 EBBD Cc1cnn(CC(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 944928726 VIFYWUWPXDXGMF-CHWSQXEVSA-N 335.364 -0.036 5 20 EBBD CC(C)n1ccc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 991299747 WDRJZHAVULCSFW-CHWSQXEVSA-N 335.364 -0.001 5 20 EBBD Cc1cnc(NCCNC(=O)Cn2ccc(O)nc2=O)c([N+](=O)[O-])c1 1093973845 RVCVNFVFSGLKAS-UHFFFAOYSA-N 348.319 -0.211 5 20 EBBD NC(=O)c1ccc(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)[nH]1 1094121806 VSFZFRJFQHQWKJ-UHFFFAOYSA-N 334.296 -0.764 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cc2n(n1)CCO2 1160034494 DFFQZSAKPGGRTQ-UHFFFAOYSA-N 349.351 -0.173 5 20 EBBD COC(=O)CN1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1591267708 CHSFILCMYFKYTH-UHFFFAOYSA-N 348.323 -0.535 5 20 EBBD NC(=O)C[C@@H]1CN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CCO1 1592726002 NOIDLDCOGMKSBM-SECBINFHSA-N 333.308 -0.145 5 20 EBBD Cc1nc(N(CCN2CCOCC2)CC(=O)O)ncc1[N+](=O)[O-] 1600709797 VVCSCLORLQKVOZ-UHFFFAOYSA-N 325.325 -0.084 5 20 EBBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@](O)(C(=O)O)C1 1601391731 UYMGWRRWJLCIRL-CQSZACIVSA-N 334.288 -0.008 5 20 EBBD COC(=O)[C@H]1C[C@@H](C(=O)O)CCN1C(=O)c1c([N+](=O)[O-])cnn1C 1606369721 GKYYGWAOHWTVKB-JGVFFNPUSA-N 340.292 -0.193 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])cn1)OCC(=O)N1CCC(C(=O)O)CC1 1608376704 DLCVFJMGBIHZGG-UHFFFAOYSA-N 340.292 -0.342 5 20 EBBD NC(=O)CCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 42928310 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COCC1(O)CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 456078266 PEUAUZWSPZMYQF-JTQLQIEISA-N 337.332 -0.067 5 20 EBBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H](O)Cn1ccnn1 566974224 VENKVYHPKKMQIM-NEPJUHHUSA-N 337.336 -0.423 5 20 EBBD O=c1ccc([N+](=O)[O-])cn1CCN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@H]21 568396803 XJZZOFANJRGJIA-ORCMLXAYSA-N 347.371 -0.183 5 20 EBBD CS(=O)(=O)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2O)C1 569254205 FFPBQXNMMLHXQQ-SSDOTTSWSA-N 330.322 -0.541 5 20 EBBD O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H](N2CCNCC2)C1 569693698 YENXKEQILVHRSL-LLVKDONJSA-N 341.393 -0.342 5 20 EBBD C[C@H](N)CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 591418767 LKLIXMOJASZFKE-NSHDSACASA-N 335.364 -0.293 5 20 EBBD CC(C)(CNC(=O)c1ccnc(N)c1[N+](=O)[O-])NS(C)(=O)=O 594286066 HYJOWWQQJIVUDH-UHFFFAOYSA-N 331.354 -0.370 5 20 EBBD COCCN(C)S(=O)(=O)NC(=O)COc1ccccc1[N+](=O)[O-] 757329628 IJVVJVAFQOWCKX-UHFFFAOYSA-N 347.349 -0.087 5 20 EBBD Cn1ccc(=O)c(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 973252512 KTVUFCPZPZHJDK-DNRKLUKYSA-N 334.332 -0.573 5 20 EBBD O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1=COCCO1 979739342 PESVMIWJLLFHPB-GWOFURMSSA-N 325.321 -0.449 5 20 EBBD Cc1ccn(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(=O)c1 991605653 PRVUBSANBFNROO-VXGBXAGGSA-N 334.332 -0.851 5 20 EBBD O=C(NCC1CN(C(=O)c2cnn(CCF)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001805040 KORLAXDXDRTMAW-VXGBXAGGSA-N 339.327 -0.294 5 20 EBBD O=C1NCCN1CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1017543436 CDWBFDONTYNQQK-YVECIDJPSA-N 337.380 -0.648 5 20 EBBD Cc1ccc(CC(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 1042977891 DREFVDMGWZZOGO-CHWSQXEVSA-N 348.359 -0.713 5 20 EBBD O=C(CCc1cccnc1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1043752420 GKYICLLRMXTAQG-CHWSQXEVSA-N 348.359 -0.631 5 20 EBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CN(Cc3cnns3)C2)C1 1053253247 BSTPNLJLQUNOJI-GHMZBOCLSA-N 339.377 -0.384 5 20 EBBD Cn1c(C(=O)N[C@H]2C[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)cnc1O 1059364631 ASHDZQSVBJBOOS-LJGSYFOKSA-N 348.323 -0.221 5 20 EBBD COCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074583709 MCHDWCHLXGKNIG-GHMZBOCLSA-N 329.353 -0.842 5 20 EBBD CN(C)CC1(C(=O)N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 1093195784 UWBKSTJICKTBBN-UHFFFAOYSA-N 349.395 -0.043 5 20 EBBD Cc1cnc(N(C)CCNC(=O)CS(C)(=O)=O)c([N+](=O)[O-])c1 1099975956 CJJFHKWOGWQTKN-UHFFFAOYSA-N 330.366 -0.105 5 20 EBBD Nc1nc(NC/C=C/CNC(=O)C2=COCCO2)ncc1[N+](=O)[O-] 1107018702 UFGSCWZATZZYFB-OWOJBTEDSA-N 336.308 -0.061 5 20 EBBD Cc1nc([N+](=O)[O-])cn1Cc1nc(CS(=O)(=O)N(C)C)no1 1320321751 KMIYRKCYEOYBMT-UHFFFAOYSA-N 330.326 -0.078 5 20 EBBD CCOC(=O)[C@@H]1CNCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C 1332417434 VASGTASMBOZSPF-VIFPVBQESA-N 325.325 -0.386 5 20 EBBD Nc1ccc(C(=O)NCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] 61598870 FBSFGOXLNBQOPE-UHFFFAOYSA-N 328.350 -0.058 5 20 EBBD CN(C[C@H](O)CO)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 273821828 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O=C(Nc1ccccc1)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991299750 WEIWDADZTCMZKR-VXGBXAGGSA-N 332.316 -0.383 5 20 EBBD Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C 1056960300 GFPLRJMVIPWBKW-DGCLKSJQSA-N 338.364 -0.451 5 20 EBBD O=C(NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccccn1 1074583311 CUVCFLKUDLSSAF-DGCLKSJQSA-N 348.359 -0.170 5 20 EBBD CN(CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1)S(C)(=O)=O 1094844147 FLWVOYCGPORODK-UHFFFAOYSA-N 345.381 -0.201 5 20 EBBD CN(CCCN(C)c1ncccc1[N+](=O)[O-])C(=O)Cn1ncnn1 1112131299 AQBJRAIOVPGWOP-UHFFFAOYSA-N 334.340 -0.039 5 20 EBBD O=C(CN1CCNC(=O)C1)NCCCNCc1ccc([N+](=O)[O-])cc1 1163875063 ZQWZCFNBRKWDSS-UHFFFAOYSA-N 349.391 -0.378 5 20 EBBD Nc1c([N+](=O)[O-])ccc(N2CC[C@@H](CO)[C@@H](O)C2)c1-c1nn[nH]n1 1592758281 ZFDJILUQQRUVCV-XVKPBYJWSA-N 335.324 -0.463 5 20 EBBD COC(=O)[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2c([N+](=O)[O-])cnn2C)C1 1598776606 XHFWLDGQYOMXAI-SFYZADRCSA-N 340.292 -0.193 5 20 EBBD CNC(=O)[C@@H]1CN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCO1 1604878492 ODVYWJLXLDMEOT-LBPRGKRZSA-N 347.335 -0.278 5 20 EBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC2CNC2)c1-c1nn[nH]n1 1607085579 WZKUGBQYCLZKAZ-UHFFFAOYSA-N 325.310 -0.975 5 20 EBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2nc(N)nc(N(C)C)n2)c1 41744037 UCYPUXZSQRLKAB-UHFFFAOYSA-N 349.307 -0.575 5 20 EBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCS(C)(=O)=O 53298073 FKQFNSQMAJNBHA-SECBINFHSA-N 343.361 -0.126 5 20 EBBD CS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 55220094 XWHJRGXKEOYXRN-UHFFFAOYSA-N 341.342 -0.439 5 20 EBBD CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 271481429 DKNSEVVLAPXSRA-LLVKDONJSA-N 345.381 -0.278 5 20 EBBD NC(=O)C1=NO[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 275898109 PAVZJPMQZGOIAV-SNVBAGLBSA-N 342.333 -0.356 5 20 EBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCO[C@@H](C(N)=O)C1 299490748 LZLAGJPAJWMSFM-GFCCVEGCSA-N 338.320 -0.001 5 20 EBBD O=C1NCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1Cc1ccccc1 345388354 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CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccnc(N)c1[N+](=O)[O-] 848785549 CYAPDBZCWAIJOR-ZCFIWIBFSA-N 325.281 -0.037 5 20 EBBD COc1nccc(C(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)n1 976479797 BKEGSGRAIKSNEX-VZSYODPGSA-N 347.331 -0.663 5 20 EBBD O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnnc(O)c1 979753267 SLJKWLOEVHTTIV-QCNRFFRDSA-N 335.320 -0.528 5 20 EBBD CCc1cnccc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042979210 WVOHJJWNNREYEY-CHWSQXEVSA-N 348.359 -0.388 5 20 EBBD Nc1nc(N2C[C@H]3CN(C(=O)c4cc[nH]n4)C[C@H]3C2)ncc1[N+](=O)[O-] 1065960397 GATJLHMZTIUCQN-DTORHVGOSA-N 344.335 -0.102 5 20 EBBD Nc1nc(NCCNC(=O)c2cccn3nnnc23)ncc1[N+](=O)[O-] 1093897404 VCQPVIIQYJGYIZ-UHFFFAOYSA-N 344.295 -0.753 5 20 EBBD Cc1cc(NCCNC(=O)Cn2ncn(C)c2=O)ncc1[N+](=O)[O-] 1093963691 TZAXHRLQXBODHS-UHFFFAOYSA-N 335.324 -0.578 5 20 EBBD CN(CCCNC(=O)CS(C)(=O)=O)c1ccnc(O)c1[N+](=O)[O-] 1095505923 KIVMFWDVHJFCBK-UHFFFAOYSA-N 346.365 -0.318 5 20 EBBD COCCOCC(=O)NCCN(C)c1ccnc(O)c1[N+](=O)[O-] 1100004920 KBNYUBWBOCYMEH-UHFFFAOYSA-N 328.325 -0.089 5 20 EBBD CCCN(CCNC(=O)Cc1nc[nH]n1)c1ncc([N+](=O)[O-])c(N)n1 1101187493 NYBARODIPHSQDS-UHFFFAOYSA-N 349.355 -0.340 5 20 EBBD COCCN(CCNC(=O)COC)c1ccnc(O)c1[N+](=O)[O-] 1126175921 ADAMUDARKBRRNE-UHFFFAOYSA-N 328.325 -0.089 5 20 EBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@@H]2CO1 1253411374 ICINOUMMEJCRGL-NEPJUHHUSA-N 336.348 -0.264 5 20 EBBD O=C(O)CCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1595056299 ZLKZHGLGOOZGAL-UHFFFAOYSA-N 339.308 -0.454 5 20 EBBD CN1CCN(CCN(CC(=O)O)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1598616000 HTEIGVLCFCWWQT-UHFFFAOYSA-N 339.352 -0.303 5 20 EBBD CCOC(=O)N1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 425997 OPHBAYZXKFVXTL-UHFFFAOYSA-N 326.313 -0.077 5 20 EBBD CCN(CCCNC(=O)Cn1ccc([N+](=O)[O-])n1)S(C)(=O)=O 298906515 CPRKOFVSSIQEEC-UHFFFAOYSA-N 333.370 -0.421 5 20 EBBD COC[C@H](C(N)=O)N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 354588994 AHAFWXLMHSXPEQ-LLVKDONJSA-N 338.320 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COc1cccc(C(=O)NS(=O)(=O)c2cnnn2C)c1[N+](=O)[O-] 774237079 OEJDHVWGUWSZIF-UHFFFAOYSA-N 341.305 -0.149 5 20 EBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC2(CO)CC2)c1-c1nn[nH]n1 826499963 GMHTUOURUXTJMY-UHFFFAOYSA-N 340.321 -0.422 5 20 EBBD CCS(=O)(=O)NCCCn1cc(C(=O)O)cc([N+](=O)[O-])c1=O 833665689 MAIHSFRWXJAFLA-UHFFFAOYSA-N 333.322 -0.216 5 20 EBBD O=C(N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21)c1cnn2c1CCC2 976681637 JHVCZWSDXZYUPS-GHDIIZBXSA-N 345.359 -0.319 5 20 EBBD Cc1c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn2c1OCCC2 994133790 LLSSWUNPHIQINB-GHMZBOCLSA-N 349.347 -0.420 5 20 EBBD O=C(NCC1(O)CN(C(=O)c2ccc(Cl)o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042975603 ORVCBEDZTFWLIV-HTQZYQBOSA-N 343.723 -0.099 5 20 EBBD CC(F)(F)C1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1046743535 ALBAJOFMKFKTTL-RKDXNWHRSA-N 347.318 -0.224 5 20 EBBD CN(C)CCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 1055331892 SQQKBZUXMJBOAF-XJFOESAGSA-N 338.408 -0.090 5 20 EBBD CC(C)SCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057543731 VLKGJHBQXROYQV-GHMZBOCLSA-N 333.410 -0.270 5 20 EBBD Cn1ncc(C(=O)N[C@H]2C[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)c1N 1059609584 BTGMEOSVTILPMK-KNVOCYPGSA-N 347.339 -0.344 5 20 EBBD O=C(Cn1cnnc1O)N[C@H]1[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]21 1060398492 DVRFPSCANLPCGN-GDGBQDQQSA-N 345.319 -0.462 5 20 EBBD Cc1nc(N(C)CCNC(=O)Cn2cnnc2O)ccc1[N+](=O)[O-] 1100030612 ZICZRAALLPUTPJ-UHFFFAOYSA-N 335.324 -0.152 5 20 EBBD CCn1nncc1C(=O)N(C)CCN(C)c1ncc([N+](=O)[O-])c(N)n1 1105383597 VVMSSOMYXXRTOZ-UHFFFAOYSA-N 349.355 -0.213 5 20 EBBD Nc1nc(NCCN(CCO)C(=O)c2cc[nH]n2)ncc1[N+](=O)[O-] 1111425371 HBTSIXMMNTUXNE-UHFFFAOYSA-N 336.312 -0.763 5 20 EBBD CN(CCCN(C)c1ncc([N+](=O)[O-])c(N)n1)C(=O)c1cnn[nH]1 1112197919 QKUNVBXAMPETTL-UHFFFAOYSA-N 335.328 -0.316 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(CC(N)=O)CC1 1318267539 GNANZJKYZYEWCH-UHFFFAOYSA-N 338.368 -0.491 5 20 EBBD NC(=O)C1(O)CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1592719335 YDQHNKFBWUYMLU-UHFFFAOYSA-N 333.308 -0.409 5 20 EBBD Cn1c(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc(=O)n(C)c1=O 11227619 SVEFARPTRAYWOV-UHFFFAOYSA-N 344.283 -0.212 5 20 EBBD CNS(=O)(=O)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 275803072 BWRYOORNCXFNBA-UHFFFAOYSA-N 341.342 -0.439 5 20 EBBD COC[C@@H](NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)O 317244498 OHPNUDWMVRQMFL-MRVPVSSYSA-N 334.306 -0.019 5 20 EBBD O=C1NC(=O)N2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C[C@H]12 352451789 YFSZTESMOAPZTN-SECBINFHSA-N 348.271 -0.300 5 20 EBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 364952299 OTKNUVWFNBRAHC-LBPRGKRZSA-N 329.334 -0.653 5 20 EBBD NC(=O)[C@@]1(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCOC1 578882056 GEPOLIFFGHUUJV-CQSZACIVSA-N 336.304 -0.915 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 588863577 QJCCAMLTIPMTQT-YPMHNXCESA-N 336.348 -0.576 5 20 EBBD COc1cc(OCC(=O)NCCc2nc(N)n[nH]2)ccc1[N+](=O)[O-] 597665074 ACDVFEHNDYHLCM-UHFFFAOYSA-N 336.308 0.041 5 20 EBBD CCc1[nH]nc(C(=O)N2CCO[C@H](CNC(=O)NC)C2)c1[N+](=O)[O-] 600228155 ALIPPVNFNYOMJK-MRVPVSSYSA-N 340.340 -0.350 5 20 EBBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCCN(CC(N)=O)CC2)n1 804363524 CBKSVQLYJISTAE-UHFFFAOYSA-N 337.336 -0.226 5 20 EBBD CC(C)Oc1cnc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 991292061 BVDXMADHSWZYNC-ZYHUDNBSSA-N 349.347 -0.130 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cnnn2C)CC1 991983416 XEHCVUMGGSCSQD-UHFFFAOYSA-N 348.367 -0.149 5 20 EBBD Cc1nc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(=O)[nH]c1C 1001801809 DHMQOOHGLIYHQM-GHMZBOCLSA-N 349.347 -0.760 5 20 EBBD CCNC(=O)CCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1079482318 RIEIYFMUIXWHMU-VXGBXAGGSA-N 340.380 -0.373 5 20 EBBD CNS(=O)(=O)CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] 1093660840 GQZYVTVEAOUWIK-UHFFFAOYSA-N 334.329 -0.189 5 20 EBBD Cc1ccnc(NCCNC(=O)Cn2nc(C)n(C)c2=O)c1[N+](=O)[O-] 1093785374 QIGBFBLDXWETRS-UHFFFAOYSA-N 349.351 -0.270 5 20 EBBD CCN(CCNC(=O)c1ccn(C)n1)c1ncc([N+](=O)[O-])c(N)n1 1100543192 URDKMMSSDTXTGF-UHFFFAOYSA-N 334.340 -0.043 5 20 EBBD Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)Cn1ncn(C)c1=O 1101850361 WTOAYIMJTIJHMX-UHFFFAOYSA-N 349.351 -0.236 5 20 EBBD NC(=O)NCC(=O)NCC1(Nc2ncc([N+](=O)[O-])cc2F)CC1 1110043274 FQMUMILGVKHMGZ-UHFFFAOYSA-N 326.288 -0.142 5 20 EBBD Cc1cc(NCCN(CCO)C(=O)CNC(N)=O)ccc1[N+](=O)[O-] 1111416441 HUAUQOCRWYBSOV-UHFFFAOYSA-N 339.352 -0.196 5 20 EBBD O=[N+]([O-])c1cnc(N2CC(N3CC[C@@H](O)C3)C2)c(-c2nn[nH]n2)c1 1607085977 FEKLPCBZJOFCSV-SNVBAGLBSA-N 332.324 -0.575 5 20 EBBD O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(CCO)CC2)c1 46444291 RKLYMQHLKPKIHA-CQSZACIVSA-N 325.365 -0.056 5 20 EBBD NS(=O)(=O)CCn1cc(Br)cc([N+](=O)[O-])c1=O 158364785 PKBXFSROKVFFOI-UHFFFAOYSA-N 326.128 -0.193 5 20 EBBD CN(C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1)S(C)(=O)=O 263972437 VYCYIGAJOJFRJV-UHFFFAOYSA-N 330.370 -0.173 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](OCCO)C1 269482996 KXPWHGCARUYLPP-LBPRGKRZSA-N 325.321 -0.244 5 20 EBBD C[C@H](CO)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 269502666 FADYRZYQMWYADA-JTQLQIEISA-N 345.377 -0.040 5 20 EBBD O=C1CN(CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1 272729210 ZKVKDAPPXWZGHL-UHFFFAOYSA-N 342.377 -0.554 5 20 EBBD Cc1c(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)cccc1[N+](=O)[O-] 276139669 JATUERLHHYUUSM-SECBINFHSA-N 334.288 -0.237 5 20 EBBD CC(C)C[C@H](NC(=O)CNC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)O 281401612 WOBXZTSPWJTKCR-VIFPVBQESA-N 341.324 -0.477 5 20 EBBD COCCN(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 283192534 YUCWTWVALIZSBB-UHFFFAOYSA-N 331.350 -0.022 5 20 EBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc([N+](=O)[O-])cc1OC 344964126 ZJBRFUPVWVCZML-JTQLQIEISA-N 337.288 -0.283 5 20 EBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC1(CO)CCOCC1 353552905 UDYWTVBARMOAII-UHFFFAOYSA-N 337.332 -0.018 5 20 EBBD COC(=O)c1cn([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)nn1 354775987 UFPLXLQFAMDVOL-ZETCQYMHSA-N 335.280 -0.217 5 20 EBBD Cc1nc2cc(O)nn2c(C)c1CNC(=O)Cn1cnc([N+](=O)[O-])n1 358284808 MKJKUXMRMQNHSX-UHFFFAOYSA-N 346.307 -0.132 5 20 EBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CCNC1=O 442264155 RZYDWXBOPOWSAR-SNVBAGLBSA-N 336.304 -0.111 5 20 EBBD COC(=O)[C@@H](O)CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598898078 ALUFUBXWQRXEOJ-JTQLQIEISA-N 340.292 -0.634 5 20 EBBD Cc1cc(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c(N)c([N+](=O)[O-])c1 749387146 DUAJTGQUESVUKX-MRVPVSSYSA-N 328.350 -0.012 5 20 EBBD CC(C)[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839735141 ZDRPUPQJJQAFPV-LZQZFOIKSA-N 342.352 -0.084 5 20 EBBD Cc1cnc2c(C(=O)NC3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)cnn2c1 991600527 MPXRNOPFQNQFLW-ZYHUDNBSSA-N 344.331 -0.356 5 20 EBBD CCc1nnc(CN2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)n1C 1025775311 OPMRLSLDMDWJRN-QEGBUVANSA-N 334.380 -0.411 5 20 EBBD CCCn1nnnc1CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1029304682 GOHZSJJQOITNSS-WUHRBBMRSA-N 349.395 -0.077 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1CC(CNC(=O)c2cnc(O)n2C)C1 1031898217 CWWLICVDOIKCJL-UHFFFAOYSA-N 349.351 -0.371 5 20 EBBD CC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCCC1 1044111809 ZXNMTYWNIYSLEE-GHMZBOCLSA-N 325.365 -0.079 5 20 EBBD O=C(NCCN(CCO)C(=O)/C=C/c1ccco1)[C@@H]1C[C@H]1[N+](=O)[O-] 1056819597 KUELSNDOTJIGMO-CDJBXZAQSA-N 337.332 -0.105 5 20 EBBD O=C(/C=C/c1ccco1)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057543612 PVSQMXPTWPOZIH-CDJBXZAQSA-N 337.332 -0.105 5 20 EBBD Cc1c[nH]nc1C(=O)N[C@H]1[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@@H]21 1060405106 FAYRMKYGUVHPSR-VROVMSAKSA-N 344.335 -0.137 5 20 EBBD Nc1nc(N2C[C@H]3CN(C(=O)c4cnon4)C[C@H]3C2)ncc1[N+](=O)[O-] 1066020034 KZEGKFVYLPLKGE-OCAPTIKFSA-N 346.307 -0.442 5 20 EBBD CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cncn1C 1067386024 YQFJGTZKEJIYPS-CHWSQXEVSA-N 337.380 -0.065 5 20 EBBD O=C(NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cncnc1 1074583680 LEGHUQKEPWGTHL-VXGBXAGGSA-N 349.347 -0.775 5 20 EBBD CNC(=O)CC(=O)NC[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 1091339705 BIXCNQPOPHQMPM-OCAPTIKFSA-N 337.340 -0.590 5 20 EBBD Cc1ccc(NCCNC(=O)c2cn(CC(N)=O)nn2)c([N+](=O)[O-])c1 1093676592 VUPUJPWYCARDQU-UHFFFAOYSA-N 347.335 -0.178 5 20 EBBD Cc1[nH]nc(C(=O)N(C)CCNc2ncc([N+](=O)[O-])c(N)n2)c1O 1101555050 CNOZCEMIRDCFGC-UHFFFAOYSA-N 336.312 -0.112 5 20 EBBD C[C@@H]1C[C@H](CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 1347105236 NQRUZVZEXZSQHE-GHMZBOCLSA-N 339.352 -0.161 5 20 EBBD Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)N1CCC(C(=O)O)CC1 1601028961 OVIJYJRLNYAFDW-UHFFFAOYSA-N 340.292 -0.192 5 20 EBBD C[C@](O)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)O 262564225 XJVONCYKJKOSMK-ZDUSSCGKSA-N 326.261 -0.069 5 20 EBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O 275092207 PFBUNPJPHSQOFK-VIFPVBQESA-N 345.333 -0.100 5 20 EBBD Nc1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 298769662 NTUFUGLUBKUVGN-UHFFFAOYSA-N 342.377 -0.363 5 20 EBBD Cc1ccc(S(=O)(=O)N2CCC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 343481234 CEJIHQNDXMBCMX-CYBMUJFWSA-N 343.361 -0.096 5 20 EBBD COC(=O)c1cn(C2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 354687940 KMIWJFPUEZFGPT-UHFFFAOYSA-N 335.280 -0.747 5 20 EBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](CO)Cc2cccnc2)c1 570928214 WIFVJIQCPTUWBI-ZFWWWQNUSA-N 335.364 -0.012 5 20 EBBD CNS(=O)(=O)CCCNC(=O)CCn1cc([N+](=O)[O-])nc1C 600664755 CVKKHYQXYZPVCC-UHFFFAOYSA-N 333.370 -0.455 5 20 EBBD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)[C@@H]1C[C@H]1[N+](=O)[O-] 839679197 DEPGCWPQOKYKPY-HBNTYKKESA-N 335.382 -0.744 5 20 EBBD CN(C)S(=O)(=O)c1ccc(NCCn2cnnn2)c([N+](=O)[O-])c1 845574832 OWKCTRIYYFNGDD-UHFFFAOYSA-N 341.353 -0.056 5 20 EBBD O=C(Cc1cc[nH]n1)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 965373828 CDAAWESRUMDCBJ-VXGBXAGGSA-N 349.347 -0.943 5 20 EBBD O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccnn1C(F)F 991938804 VDPPFIVZYDJNJK-VXNVDRBHSA-N 329.263 -0.116 5 20 EBBD O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnn2c1OCCC2 996366073 NYXFHDSCIPCAEL-MWLCHTKSSA-N 335.320 -0.729 5 20 EBBD 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332.675 -0.615 5 20 EBBD O=C(NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc(O)nn1 946705671 NECLGFLOXPBKRU-MWLCHTKSSA-N 335.320 -0.432 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)CCc2cnn[nH]2)CC1 950581038 AUSIXRZUALOUDZ-UHFFFAOYSA-N 348.367 -0.277 5 20 EBBD CCn1nc(C)c(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 954240810 BDVVIFIANXFOBT-GHMZBOCLSA-N 336.352 -0.446 5 20 EBBD Cc1ncsc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057072704 APHOEIBLTNFETG-NXEZZACHSA-N 342.377 -0.333 5 20 EBBD O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1cnnc(O)c1 1062993737 ZWOWLIYMOPEOLI-NXEZZACHSA-N 335.320 -0.384 5 20 EBBD CCN(C(=O)CCOCCOC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1080020911 LBTNIAYKTICJKL-CHWSQXEVSA-N 343.380 -0.236 5 20 EBBD COC(=O)C1(C(=O)COC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1327722348 SANOHQAJEHEZTG-UHFFFAOYSA-N 338.272 -0.178 5 20 EBBD COC(=O)[C@H](Cc1cnn[nH]1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 1576914069 VHXDHRNXOMXHEY-QMMMGPOBSA-N 335.280 -0.796 5 20 EBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CO)c1cnn[nH]1 1577058832 YMRSXBVBUKDZIE-SECBINFHSA-N 343.321 -0.267 5 20 EBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 51164182 IZTUWGVMCBCXRQ-SNVBAGLBSA-N 345.333 -0.522 5 20 EBBD O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCN(CCO)CC1 107380407 ZGXPBVJFQXQKOI-UHFFFAOYSA-N 338.368 -0.664 5 20 EBBD Cc1ccc(NCCCNC(=O)[C@H](CO)NC(N)=O)c([N+](=O)[O-])c1 270847441 XDPKIUVBHZKOED-NSHDSACASA-N 339.352 -0.149 5 20 EBBD C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[S@](=O)C1 332242727 ATNGPSAHYALEEM-MGUXCZDKSA-N 327.362 -0.017 5 20 EBBD COC(=O)[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 339222779 FIZZVDLOTDUIPB-ZCFIWIBFSA-N 331.306 -0.467 5 20 EBBD O=C(Cn1cnc([N+](=O)[O-])n1)N(CCC(F)(F)F)C[C@H](O)CO 342155922 JRCWGKNPMMZORJ-ZETCQYMHSA-N 341.246 -0.680 5 20 EBBD CN(C[C@H](O)CO)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 353975608 NCEDPZSBEUCTCT-JTQLQIEISA-N 326.305 -0.280 5 20 EBBD CNS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 408071487 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C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1 1591770548 KRDYXFMOKBVBQY-VIFPVBQESA-N 348.367 -0.140 5 20 EBBD COC(=O)[C@@H]1CC[C@H](C(=O)O)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1606387901 XYHBJUUHBFMTMU-YUMQZZPRSA-N 340.292 -0.193 5 20 EBBD N=C(N)NCC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1842883784 KBSCILPSPMIUPS-UHFFFAOYSA-N 349.351 -0.777 5 20 EBBD O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(Cc3ccon3)CC2)c1 75857689 LWOYCDXMIANBPT-CQSZACIVSA-N 336.352 -0.042 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](N2CCNCC2=O)C1 186646126 YZBMQLOLCCYEHE-LLVKDONJSA-N 336.352 -0.786 5 20 EBBD CN(CC(=O)NCCCN)S(=O)(=O)c1cccc([N+](=O)[O-])c1 262475044 NJHIRTMPPIKDRI-UHFFFAOYSA-N 330.366 -0.320 5 20 EBBD CN(CC(=O)O)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 263564578 FBAGBDWKSCSBNJ-UHFFFAOYSA-N 331.306 -0.584 5 20 EBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(C)C1=O 265727750 WJDHSEPMQJPUFD-SECBINFHSA-N 336.304 -0.111 5 20 EBBD CN(CCO)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 271060769 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C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H](C(=O)O)O1 593755901 UWYUGXHCOIUZIA-RDDDGLTNSA-N 345.333 -0.080 5 20 EBBD NS(=O)(=O)c1ccc(N2CC[C@H](CO)[C@H](O)C2)cc1[N+](=O)[O-] 596208410 YLTYRZRUYTTZGJ-LDYMZIIASA-N 331.350 -0.578 5 20 EBBD COC(=O)CCNC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1N 600497733 FAZCNQXMTCDBEL-UHFFFAOYSA-N 338.320 -0.024 5 20 EBBD NS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCNC2=O)cc1[N+](=O)[O-] 801440653 UQIMBMQQFQHURP-MRVPVSSYSA-N 329.290 -0.713 5 20 EBBD O=C1NC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CCN12 823547602 LDCVIZQOCONDIB-SECBINFHSA-N 330.308 -0.011 5 20 EBBD C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCN1CCC(=O)O 833623448 QEHDWOBSSGMOIB-SNVBAGLBSA-N 325.325 -0.201 5 20 EBBD CCNS(=O)(=O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 849374094 NPWJYGPHRZGHHW-UHFFFAOYSA-N 338.367 -0.793 5 20 EBBD COC(=O)CNC(=O)[C@@H](C)OC(=O)c1c([N+](=O)[O-])c(C)nn1C 920659151 NPYJUAVGMIVWSR-SSDOTTSWSA-N 328.281 -0.529 5 20 EBBD COc1ncc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 941012652 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COC(=O)[C@@H]1[C@H](O)CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 275578453 POVATHOURZCRSA-TUAOUCFPSA-N 328.325 -0.850 5 20 EBBD C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C 294424303 PXJKFHGLAVJUKP-JTQLQIEISA-N 344.393 -0.061 5 20 EBBD CN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 331224938 AGXDRMQNUNKVMY-JTQLQIEISA-N 340.361 -0.254 5 20 EBBD COC(=O)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] 416494149 JPMHCSHELBKEIA-MWLCHTKSSA-N 346.317 -0.581 5 20 EBBD C[C@@H](O)C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421990214 OBSNZQFKXAVFKZ-SECBINFHSA-N 331.350 -0.288 5 20 EBBD N[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 422986048 BEHMZRBMJJAQLC-GFCCVEGCSA-N 347.375 -0.197 5 20 EBBD CCn1ncc2c(=O)n(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cnc21 447178244 XYOPGJVZGCRPDZ-JTQLQIEISA-N 333.308 -0.221 5 20 EBBD NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] 597739046 WQDWPAZMNSWOTP-SSDOTTSWSA-N 332.342 -0.894 5 20 EBBD O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@@H](CO)[C@@H](O)C1 837918077 LCRXNJRDCIPPBP-HERUPUMHSA-N 335.316 -0.101 5 20 EBBD Cn1cccc(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1=O 946705608 KAPWPUKZIOLVDF-CHWSQXEVSA-N 348.359 -0.229 5 20 EBBD CCN(C(=O)c1cnnc(O)c1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 968059408 ZIFMKISRKGJZBS-GHMZBOCLSA-N 335.320 -0.480 5 20 EBBD Cn1ccnc1CN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 1053252014 JMAKYPMNCVFKJL-VXGBXAGGSA-N 335.364 -0.502 5 20 EBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNC(=O)C1(CF)CCC1 1057545554 DOTRMJGSROXTCU-GHMZBOCLSA-N 331.344 -0.272 5 20 EBBD Nc1nc(N2CCC(NC(=O)Cn3ccnc3)CC2)ncc1[N+](=O)[O-] 1057880743 UHQCMZKESUJXAA-UHFFFAOYSA-N 346.351 -0.051 5 20 EBBD O=C(NCC1(O)CCN(C(=O)c2ccon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1074497207 YNIKRPJUXKSAOV-MWLCHTKSSA-N 338.320 -0.577 5 20 EBBD CN(CCNc1ncc([N+](=O)[O-])cc1F)C(=O)Cn1cnnc1O 1101553143 DEOZBFDQRAALIQ-UHFFFAOYSA-N 339.287 -0.004 5 20 EBBD CC(=O)NCC(=O)N(CCO)CCNc1ncc([N+](=O)[O-])cc1C 1111421809 WSOYWOBAKRQQTI-UHFFFAOYSA-N 339.352 -0.333 5 20 EBBD CC(C)(C(=O)N[C@H]1CC(=O)N(C2CNC2)C1)n1cc([N+](=O)[O-])cn1 1575090808 WGMBVGDBCXCLAP-VIFPVBQESA-N 336.352 -0.785 5 20 EBBD O=C(O)[C@@H]1C[C@H](O)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 1601772236 KGGPWNNSRPWSSR-LOWVWBTDSA-N 326.305 -0.146 5 20 EBBD Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1611244088 IWOKDHXWPOFKLB-SNVBAGLBSA-N 343.317 -0.378 5 20 EBBD Cc1ccn(CCNS(=O)(=O)c2cnn(C)c2)c(=O)c1[N+](=O)[O-] 129682890 CDFUPWRKFPODSL-UHFFFAOYSA-N 341.349 -0.223 5 20 EBBD CN(C)CCN1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O 156982284 BUIUNWKIAVMWKX-LLVKDONJSA-N 338.368 -0.682 5 20 EBBD CC(=O)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 272476609 IWHCZTQPSBMTJO-UHFFFAOYSA-N 328.350 -0.089 5 20 EBBD O=C(O)CNC(=O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 274929269 OOHUHYRJDVTQIJ-UHFFFAOYSA-N 331.306 -0.785 5 20 EBBD CC(=O)N[C@H](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(N)=O 344227577 GCZWASRAWVQQAQ-GFCCVEGCSA-N 337.336 -0.497 5 20 EBBD C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C(N)=O)O1 347828771 PRXYSNUQRSAPJF-OIBJUYFYSA-N 347.324 -0.003 5 20 EBBD Cc1nc(NS(=O)(=O)CCCS(N)(=O)=O)ccc1[N+](=O)[O-] 349457091 RVKQSCJROFGIEW-UHFFFAOYSA-N 338.367 -0.281 5 20 EBBD COC(=O)[C@@H]1C[C@H](OC)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 351097269 IQOWFZARKJWJHW-UPJWGTAASA-N 342.352 -0.195 5 20 EBBD NC(=O)c1cc([N+](=O)[O-])cnc1NCCS(=O)(=O)NC1CC1 356802963 CSMNUBOWPOBTCY-UHFFFAOYSA-N 329.338 -0.418 5 20 EBBD O=C1NC[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c34)CCN2C1=O 357321501 FZXGFIPKEIYVHP-VIFPVBQESA-N 342.315 -0.315 5 20 EBBD NC(=O)[C@@H]1CC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)O1 490311296 RWOCWWZCRCKYSN-ZJUUUORDSA-N 326.313 -0.877 5 20 EBBD Cn1nnc(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 490624668 IQSTWMCCVFEQPW-UHFFFAOYSA-N 345.275 -0.969 5 20 EBBD CNS(=O)(=O)[C@@H]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 557641648 ZUMGOOOOKYARGD-MRVPVSSYSA-N 344.349 -0.096 5 20 EBBD CNc1nccc(C(=O)N2CCC[C@H](CNC(N)=O)C2)c1[N+](=O)[O-] 574583201 RXDPMYGVBHKACS-SECBINFHSA-N 336.352 0.552 5 20 EBBD NS(=O)(=O)c1ccc(C(=O)N2CCN3CC[C@H]2C3)cc1[N+](=O)[O-] 597708086 IFXLZYTUQNRFTK-JTQLQIEISA-N 340.361 -0.228 5 20 EBBD CCNC(=O)CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603747887 WTBRKIUYCMDYGB-UHFFFAOYSA-N 336.352 -0.043 5 20 EBBD Cc1c(C(=O)NC2=NCC(=O)N2)nnn1-c1cccc([N+](=O)[O-])c1 604184599 BLTFRSHCYOXDOP-UHFFFAOYSA-N 329.276 -0.300 5 20 EBBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCCOCCO 740200088 WZANGEAEAXKGJC-UHFFFAOYSA-N 338.272 -0.257 5 20 EBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cncc(OC)n2)C1 967951982 VWMSEKBQHKVPIB-ZYHUDNBSSA-N 349.347 -0.177 5 20 EBBD O=C(N[C@H]1C[C@H](NCc2nnc3n2CCOC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1020138973 KJVLKZUKTZSDAV-GWOFURMSSA-N 336.352 -0.790 5 20 EBBD Cn1cc(C(=O)N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)nn1 1055786117 YNPAXLIWMWOQDB-UHFFFAOYSA-N 333.312 -0.942 5 20 EBBD NC(=O)C(=O)N1CCC(O)(CNc2ccc([N+](=O)[O-])cc2F)CC1 1067485270 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COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)CC(=O)O 274925358 BVKFBFHZUWUWJK-UHFFFAOYSA-N 348.289 -0.237 5 20 EBBD CS(=O)(=O)NC(=O)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 277451763 JYBHIHFXRYJUFV-UHFFFAOYSA-N 330.322 -0.627 5 20 EBBD COc1ccc(S(=O)(=O)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] 319352936 UFTHPZGKCPSYPL-SECBINFHSA-N 331.350 -0.130 5 20 EBBD O=C(O)CNC(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 319467988 QGPHKCYSIOGXQV-UHFFFAOYSA-N 335.269 -0.787 5 20 EBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO)CCO 336872616 OVRCLGUPDBJVQQ-UHFFFAOYSA-N 348.333 -0.643 5 20 EBBD CCn1cc(S(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])n1 339046660 ROHJFOVXXWPNFW-QMMMGPOBSA-N 343.365 -0.147 5 20 EBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(C(=O)CO)CC1 342372027 IINMOOOXYDPNFN-UHFFFAOYSA-N 343.361 -0.272 5 20 EBBD COc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1-n1cnnn1 356875646 DTPWTOCRAOGYPJ-UHFFFAOYSA-N 345.279 -0.191 5 20 EBBD CCn1cc(S(=O)(=O)NC[C@@H](CO)[C@@H]2CCOC2)c([N+](=O)[O-])n1 360622419 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CNC(=O)[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 272804206 RRIMPALGYKHYRJ-JTQLQIEISA-N 347.324 -0.131 5 20 EBBD NC(=O)[C@@H](CO)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] 341748986 SQKYNEAKCLZZPH-MRVPVSSYSA-N 331.712 -0.021 5 20 EBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(N)(=O)=O 420734853 WNYQYXRAFUHWIO-UHFFFAOYSA-N 338.367 -0.992 5 20 EBBD O=C(O)c1ccnc(NC[C@@H]2CS(=O)(=O)CCO2)c1[N+](=O)[O-] 519550397 YASIZHUCQYGILJ-SSDOTTSWSA-N 331.306 -0.087 5 20 EBBD CNc1nccc(C(=O)NCCn2cc(C(=O)OC)nn2)c1[N+](=O)[O-] 568531247 YNAHGLFROXUTJZ-UHFFFAOYSA-N 349.307 -0.160 5 20 EBBD CCOC[C@@H](O)CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 581998599 PEBASGSNGPDXLO-NSHDSACASA-N 347.393 -0.140 5 20 EBBD O=C(O)c1ccnc(NCCCN2CCCS2(=O)=O)c1[N+](=O)[O-] 592973427 GPXWSPYGOOFRGM-UHFFFAOYSA-N 344.349 0.526 5 20 EBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 598024881 BNVWFLMGIDBIGI-YUMQZZPRSA-N 346.365 -0.017 5 20 EBBD Cc1[nH]nc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-] 604510696 SOVFNBYSGJDMFS-MRVPVSSYSA-N 331.354 -0.220 5 20 EBBD COC[C@H](C)S(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])nc1C 733714074 AWOZVZRPZOWYQZ-QMMMGPOBSA-N 334.354 -0.029 5 20 EBBD Cn1c(COC(=O)c2cc([N+](=O)[O-])cnc2N)cc(=O)n(C)c1=O 781666148 KWIDNFHNBZTAES-UHFFFAOYSA-N 335.276 -0.674 5 20 EBBD COC[C@@H](C(N)=O)N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 817936117 KLKPJSGVNRAXCX-NSHDSACASA-N 339.304 -0.255 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cncc(C(N)=O)c2)C1 954241493 LFSXBWNIEDVACU-VXGBXAGGSA-N 347.331 -0.872 5 20 EBBD O=C(NC1CN(C(=O)c2ccc3nc[nH]c3n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991291805 ZMFPCBLFDAZYNV-LDYMZIIASA-N 330.304 -0.436 5 20 EBBD O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1nc[nH]c2nccc1-2 1003311425 KEPBRPMTTDDYDK-GHMZBOCLSA-N 344.331 -0.237 5 20 EBBD COCC(=O)NCCC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] 1094197815 FEMCUECWRZDEDW-UHFFFAOYSA-N 339.352 -0.021 5 20 EBBD CNC(=O)C1(C(=O)NC/C=C/CNc2ncc([N+](=O)[O-])c(N)n2)CC1 1107252709 OZZNTRGBXXGNSS-NSCUHMNNSA-N 349.351 -0.423 5 20 EBBD O=C(Cn1ncnn1)NC/C=C/CNc1ncc([N+](=O)[O-])cc1F 1107354595 IRSKBDUVHLGHAN-OWOJBTEDSA-N 336.287 -0.100 5 20 EBBD O=C(CCn1cnnn1)NCC1(Nc2ccnc(O)c2[N+](=O)[O-])CC1 1110207421 ZPBRCGDQLDTBAX-UHFFFAOYSA-N 348.323 -0.167 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCCN(CC(N)=O)C1 1116050387 RKKFMKNUIJJGPB-LLVKDONJSA-N 338.368 -0.444 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)c1cn2c(n1)CCC2 1127632992 JVYKJFBJFAPHDY-UHFFFAOYSA-N 333.352 -0.009 5 20 EBBD Cc1[nH]nc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)c1[N+](=O)[O-] 1318433016 CDFBJQZSRJVRJZ-UHFFFAOYSA-N 338.368 -0.091 5 20 EBBD CN(CCNS(C)(=O)=O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 1319937461 DGAGMRNWEJCKTH-UHFFFAOYSA-N 330.366 -0.325 5 20 EBBD Cn1nnc2c1CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 1346482076 VBAFVAQJTNVSHA-VIFPVBQESA-N 332.320 -0.441 5 20 EBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCn2c(CO)nnc2C1 1593469147 YAKQSUXFCUOGDP-UHFFFAOYSA-N 343.307 -0.121 5 20 EBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC1(C(=O)O)CCOCC1 1594713949 JRCWCSGJWJLQNY-UHFFFAOYSA-N 339.304 -0.246 5 20 EBBD CN1C[C@H](C(=O)O)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1=O 1606199518 GXPZRFAQRNNEKT-SNVBAGLBSA-N 347.287 -0.162 5 20 EBBD CONC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 283588709 RYDKJLPBWJTUQE-SCZZXKLOSA-N 345.333 -0.604 5 20 EBBD CCn1cc(S(=O)(=O)N2CCC[C@H](OCCO)C2)c([N+](=O)[O-])n1 339041006 LXYBENBYUIWULT-JTQLQIEISA-N 348.381 -0.027 5 20 EBBD COC(=O)[C@H](C)NC(=O)c1ccc(NC[C@@H](O)CO)c([N+](=O)[O-])c1 436432395 UFNIUGQUKKJGCE-WCBMZHEXSA-N 341.320 -0.349 5 20 EBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 487077338 WMSCJBIHFSZPMR-VIFPVBQESA-N 331.306 -0.665 5 20 EBBD COC(=O)[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)O 592431465 QRDLMPUXRPBFAQ-UFGOTCBOSA-N 328.321 -0.154 5 20 EBBD C[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H](CO)O1 596205805 MSIZHTFSFFBSLQ-WPRPVWTQSA-N 331.350 -0.172 5 20 EBBD C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599218119 GDTTUCGRAHCMHB-YUMQZZPRSA-N 331.354 -0.397 5 20 EBBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 599378904 RXNHNNBCTMIRQR-STQMWFEESA-N 344.389 0.000 5 20 EBBD C[C@@]1(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CCS(=O)(=O)C1 610212418 VYUDDXFMPHXGNS-SNVBAGLBSA-N 335.363 -0.155 5 20 EBBD O=C1CN(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C(=O)N1 783568709 CWXNRFPTBCWPSJ-UHFFFAOYSA-N 349.303 -0.372 5 20 EBBD Cc1cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc(C(=O)O)c1[N+](=O)[O-] 832891061 JGWKRPGZKVYWSN-SNVBAGLBSA-N 348.315 -0.252 5 20 EBBD CCc1[nH]nc(C(=O)OCCN2C(=O)N[C@H](C)C2=O)c1[N+](=O)[O-] 837657858 QSPVRYQGNYYOIB-ZCFIWIBFSA-N 325.281 -0.023 5 20 EBBD CCOC(=O)CS(=O)(=O)NC(=O)COc1cccc([N+](=O)[O-])c1 838847587 LMGKFXNDQFKRLX-UHFFFAOYSA-N 346.317 -0.017 5 20 EBBD Cn1cncc1CCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1001807623 PWZHGMUZNSEAJS-CHWSQXEVSA-N 335.364 -0.408 5 20 EBBD CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCCC1 1042981631 YOVIDJSXMLOFIX-GHMZBOCLSA-N 325.365 -0.079 5 20 EBBD CCn1cccc1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057547072 PDDXBNAVBNJSMJ-DGCLKSJQSA-N 338.364 -0.276 5 20 EBBD CCOCCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1068352109 RSTVCUMKLICVPJ-VXGBXAGGSA-N 341.364 -0.482 5 20 EBBD O=C(CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)N1CCCC1 1072721279 LISRHLCIPBIMRG-CHWSQXEVSA-N 336.392 -0.192 5 20 EBBD Cc1cc(CC(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)n(C)n1 1093986631 ARDNOBVDGMNVFA-UHFFFAOYSA-N 334.340 -0.220 5 20 EBBD CNS(=O)(=O)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cn1 1095566964 JDFCMAATDBQFPP-UHFFFAOYSA-N 345.381 -0.519 5 20 EBBD O=C(NCCN1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cnn[nH]1 1096305674 HJBCKMXSTLKGQE-UHFFFAOYSA-N 346.351 -0.340 5 20 EBBD COCCOCC(=O)N[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 1097166482 ZZYSZDPNCVPYKZ-DTORHVGOSA-N 340.340 -0.311 5 20 EBBD CCn1ncc(C(=O)NC/C=C/CNc2ncc([N+](=O)[O-])c(N)n2)n1 1107152268 QKPMBHDVWLYSJP-ONEGZZNKSA-N 347.339 -0.024 5 20 EBBD CCN1CCC[C@@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1117603896 LWUKUVCPGVWAQE-LLVKDONJSA-N 338.368 -0.492 5 20 EBBD Cc1ncnc(O)c1C(=O)NCCNCc1c([N+](=O)[O-])ncn1C 1132703159 PSEMASOPCSRKFW-UHFFFAOYSA-N 335.324 -0.348 5 20 EBBD CNC[C@@H](C)NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1350353462 HKFKMEVTTLFXMU-SNVBAGLBSA-N 336.348 -0.092 5 20 EBBD CNC[C@@H](O)[C@@H](C)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1578641296 PZQWEYMELORJCV-DGCLKSJQSA-N 337.380 -0.145 5 20 EBBD CN(CCN1CCOCC1)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1609275770 IUVIQLCGHYJAJX-UHFFFAOYSA-N 334.340 -0.062 5 20 EBBD O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NC[C@H](O)Cn1ccnn1 1609602782 ICALUHFRNAVAFR-QMMMGPOBSA-N 331.296 -0.161 5 20 EBBD CC(C)N1C(=O)C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 267300197 JUGGSXVKCCHPTB-JTQLQIEISA-N 336.304 -0.591 5 20 EBBD COc1ccc(C(=O)NCCOCCS(N)(=O)=O)cc1[N+](=O)[O-] 288099946 ARQFMGGORCIZRI-UHFFFAOYSA-N 347.349 -0.362 5 20 EBBD CO[C@@H](CN)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 289893282 IQMARTGNMMPCQQ-ZDUSSCGKSA-N 336.348 -0.147 5 20 EBBD CNC(=O)CN(C)C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 338113176 QHJXSCYOVZJNGX-UHFFFAOYSA-N 338.320 -0.462 5 20 EBBD CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 339194722 XQNLVMYEFZBFGZ-JTQLQIEISA-N 345.381 -0.421 5 20 EBBD COC(=O)c1cc(C)nc(N2CC[C@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] 342107888 CJTSWTRIRWCIKK-QMMMGPOBSA-N 344.349 -0.048 5 20 EBBD C[C@](O)(CNC(=O)N=c1cc[nH]cc1[N+](=O)[O-])CN1CCOCC1 352926538 VPHRXJFWWAXFBQ-AWEZNQCLSA-N 339.352 -0.384 5 20 EBBD Cc1cc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])nn3C)C2=O)n(C)n1 358044709 TZDDJWXQOFEBBQ-VIFPVBQESA-N 347.335 -0.094 5 20 EBBD Cc1ccc(S(=O)(=O)NCCC(=O)NC(N)=O)c([N+](=O)[O-])c1 360115338 LYKOZNVCVZBWPZ-UHFFFAOYSA-N 330.322 -0.233 5 20 EBBD CS(=O)(=O)Cc1nc(=NC(=O)c2ccc(O)c([N+](=O)[O-])c2)o[nH]1 436971404 OPWMJNDSDWAXMY-UHFFFAOYSA-N 342.289 -0.098 5 20 EBBD O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3nc(O)n[nH]3)CC2)c1 439001267 DMSDGQVLBVVDKC-LLVKDONJSA-N 337.340 -0.145 5 20 EBBD COC(=O)[C@H](CF)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 489648787 BCSIIRXPQLMXFY-ZETCQYMHSA-N 349.296 -0.517 5 20 EBBD CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] 525687553 IHZMRURUBMXCQP-UHFFFAOYSA-N 344.349 -0.531 5 20 EBBD O=C(O)CCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 561707694 YMBAQFAJOZPTOY-UHFFFAOYSA-N 345.333 -0.146 5 20 EBBD CN1CCNC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 567580985 JYOKZQLIMYHBCG-LLVKDONJSA-N 336.348 -0.001 5 20 EBBD NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@]1(OCCO)CCOC1 596423154 JXNJYVRJWDYSEW-ZDUSSCGKSA-N 326.309 -0.331 5 20 EBBD CO[C@]1(C(=O)O)CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 600665010 LEJOEYGTTLVWPA-SNVBAGLBSA-N 334.310 -0.808 5 20 EBBD CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2O)C1 603880888 SBTFGFZSYYSPQL-MRVPVSSYSA-N 344.349 -0.151 5 20 EBBD O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)CCc1ccccc1 748495985 GRZLHEFXQMJWKJ-UHFFFAOYSA-N 339.333 -0.125 5 20 EBBD Cc1c(CNC(=O)C(=O)NCCS(C)(=O)=O)cccc1[N+](=O)[O-] 788397393 QJAYUQCGBORKLJ-UHFFFAOYSA-N 343.361 -0.320 5 20 EBBD NC(=O)CN(CC(N)=O)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 791126143 DFRQIQQKRXSTSV-UHFFFAOYSA-N 346.702 -0.271 5 20 EBBD O=C(O)CCNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 819477376 BDWKLIVWHALQHX-PWSUYJOCSA-N 327.293 -0.237 5 20 EBBD Cn1cnc(C(=O)N[C@H]2[C@@H]3CN(Cc4c([N+](=O)[O-])ncn4C)C[C@@H]32)c1 1025737281 HHRRIRZMSMIVDU-IWIIMEHWSA-N 345.363 -0.078 5 20 EBBD NC[C@@H]1CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 1261424214 PQIOHHXRSPARLF-CYBMUJFWSA-N 334.332 -0.377 5 20 EBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN(c2ncccn2)CC1 1319998250 JQFVOVNJQUYEOO-UHFFFAOYSA-N 344.331 -0.105 5 20 EBBD Cn1[nH]c(CN(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)nc1=O 1752252889 CURQKVKDAPEDAA-GHMZBOCLSA-N 338.368 -0.756 5 20 EBBD O=C1CC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N1 269561521 LAKZSQDBAXXPIN-NSHDSACASA-N 348.315 -0.364 5 20 EBBD O=C(C(=O)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1)N1CCCC1 273627475 PTQOJKYRIHYNKM-UHFFFAOYSA-N 334.336 -0.344 5 20 EBBD NC(=O)[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 278578115 CWONTKDZTKWLPN-LLVKDONJSA-N 348.319 -0.133 5 20 EBBD N=C(O)OCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 496084495 ISVYNEGFCBJHNW-UHFFFAOYSA-N 336.260 -0.184 5 20 EBBD O=C1NC[C@@H]2[C@H]1CCCN2S(=O)(=O)c1cccnc1[N+](=O)[O-] 544842470 AJXVZQZYULBBIZ-RKDXNWHRSA-N 326.334 -0.111 5 20 EBBD O=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1COCCO1 576155802 HMOZXXFSSFFODS-SECBINFHSA-N 346.317 -0.013 5 20 EBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 598027648 LSWROTHCEQPXNA-VXGBXAGGSA-N 344.345 -0.098 5 20 EBBD CS(=O)(=O)N[C@@H]1CCCN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])C1 611598366 ZXCIBQYUNKWSSP-SECBINFHSA-N 343.365 -0.043 5 20 EBBD Cc1c(C(=O)OCCOCCO)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 740250113 HFBKENGYQJUZNI-UHFFFAOYSA-N 348.333 -0.284 5 20 EBBD NC(=O)C1=NO[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 784727784 MURDNIMYKGSGLF-JTQLQIEISA-N 342.333 -0.356 5 20 EBBD COC(COCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)OC 787926096 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MONLKJYPKOWWEB-DTWKUNHWSA-N 329.334 -0.142 5 20 EBBD COC(=O)NCCNS(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-] 497256692 IBWMNIUDOIIGKO-UHFFFAOYSA-N 347.305 -0.073 5 20 EBBD CC(C)Oc1nc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-] 515432812 KXDWCFQXNOUQJS-SNVBAGLBSA-N 349.347 -0.076 5 20 EBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)NC1CNC1 556987767 LGDYQSQEHWTPIZ-UHFFFAOYSA-N 336.304 -0.217 5 20 EBBD Cn1nnnc1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O 611306800 YXXJSVUBVNYEBP-UHFFFAOYSA-N 327.326 -0.580 5 20 EBBD Cn1nncc1COC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 811219704 JHRROKGAINXLJN-UHFFFAOYSA-N 341.305 -0.272 5 20 EBBD O=C1OC[C@@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CCN12 823550992 AOVVLHVMKYALPX-ZETCQYMHSA-N 332.280 -0.189 5 20 EBBD Cc1nonc1CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941012920 SNERNLNSQVBKLD-ZYHUDNBSSA-N 337.336 -0.353 5 20 EBBD CCN(C(=O)c1ncn(C)n1)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 949998459 FMFOSQQGOZVEMZ-UHFFFAOYSA-N 348.367 -0.197 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cc3n(n2)CCCO3)C1 954240809 XXOCWHXBJGRUON-ZYHUDNBSSA-N 349.347 -0.386 5 20 EBBD Cc1nn(C)c(Cl)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991288132 OVXVYQDHFVAXOS-RKDXNWHRSA-N 341.755 -0.012 5 20 EBBD COc1nn(C)cc1C(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1030783891 BKERGIIKLIDDLD-UHFFFAOYSA-N 349.351 -0.315 5 20 EBBD O=C(Cn1ncnn1)N1CCCN(c2ccnc(O)c2[N+](=O)[O-])CC1 1057183664 JIQZJGLIHPTFAN-UHFFFAOYSA-N 348.323 -0.579 5 20 EBBD Cc1c(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1C 1058756732 JLKUEXLLCLUIFY-CHWSQXEVSA-N 338.364 -0.451 5 20 EBBD O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1)c1cccnn1 1070218617 UDGBJJMHJBJQFH-ZYHUDNBSSA-N 349.347 -0.463 5 20 EBBD COCC(=O)N(C)CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] 1102000016 XMOWZHNXOGGVMC-UHFFFAOYSA-N 339.352 -0.035 5 20 EBBD Cc1cc([N+](=O)[O-])cnc1NCCOCCN(C)C(=O)C(N)=O 1127457500 DPQZGHHDKYGRBM-UHFFFAOYSA-N 325.325 -0.330 5 20 EBBD C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cc(C(=O)O)c2=O)CCO1 1609868243 SKFDAXWTYKCKOC-MRVPVSSYSA-N 325.277 -0.298 5 20 EBBD COCCNC(=O)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 15363048 DLMUUDFXTYGDQQ-UHFFFAOYSA-N 331.350 -0.056 5 20 EBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1 70807963 JVFIDSSSZAXYAK-LBPRGKRZSA-N 342.377 -0.259 5 20 EBBD COC(=O)[C@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C 267735500 NNZJCDLNWDFKIM-SNVBAGLBSA-N 326.309 -0.110 5 20 EBBD CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 339042974 HOHODFZOWYWPIS-UHFFFAOYSA-N 337.336 -0.411 5 20 EBBD CNC(=O)[C@@H](CO)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 358850770 BTDWJSLBLYZZLW-SECBINFHSA-N 332.338 -0.978 5 20 EBBD NC(=O)Cn1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)nn1 361318755 PFUDYAYFENPTDH-UHFFFAOYSA-N 333.308 -0.487 5 20 EBBD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] 488251124 PDENLXVGRDSPJE-SFYZADRCSA-N 341.324 -0.486 5 20 EBBD Cc1cc(=NC(=O)CN(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])[nH]o1 548387312 JYCIGJZMQACEFW-UHFFFAOYSA-N 334.292 0.001 5 20 EBBD Nc1ccc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nc1[N+](=O)[O-] 596083890 XZGAGIRNMSCXPO-UHFFFAOYSA-N 348.363 -0.157 5 20 EBBD O=[N+]([O-])c1ccsc1N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 611509774 NKNARARIHRCRER-WDEREUQCSA-N 347.418 -0.064 5 20 EBBD COc1c(C(=O)OCC(=O)N2CCNC(=O)C2)cccc1[N+](=O)[O-] 796311827 ZFJLUDQDSSXXIW-UHFFFAOYSA-N 337.288 -0.281 5 20 EBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1CN2CCN1CC2 826497337 DCTWLHJDDDZRRG-VIFPVBQESA-N 331.340 -0.418 5 20 EBBD COC(=O)C[C@H](O)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 863015766 KVBHFRNGIFDSJQ-JTQLQIEISA-N 340.288 -0.174 5 20 EBBD Cc1nc(O)[nH]c1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 969003795 SLHHEPVRKSNKSO-LMLFDSFASA-N 349.347 -0.096 5 20 EBBD CCn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 979758096 UJEHZIBPVOSHSS-DNRKLUKYSA-N 336.352 -0.412 5 20 EBBD NC(=O)c1cncc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 1001803943 DOJWPVHMJZACEA-VXGBXAGGSA-N 347.331 -0.966 5 20 EBBD Cn1nncc1C(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1017417542 JINRYTSYBXBQJP-GHMZBOCLSA-N 334.336 -0.631 5 20 EBBD NC(=O)c1cccc(CN2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 1031661835 JUKHPKPOENUKPG-ZIAGYGMSSA-N 332.360 -0.001 5 20 EBBD Nc1nc(N2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)ncc1[N+](=O)[O-] 1055712460 JRQDZACMSWMQBJ-UHFFFAOYSA-N 345.319 -0.437 5 20 EBBD O=C(Cn1c(O)nnc1O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1055869861 KTSRYRNORLTYRG-UHFFFAOYSA-N 348.319 -0.054 5 20 EBBD Nc1nc(N2CCN(C(=O)Cc3ncc[nH]3)CC2)ncc1[N+](=O)[O-] 1055881442 LOIYSTVWOQJXBP-UHFFFAOYSA-N 332.324 -0.419 5 20 EBBD O=C(CCc1nc[nH]n1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1062772660 XMWHJQQGJJTORT-NXEZZACHSA-N 336.352 -0.442 5 20 EBBD CCOCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074583737 NQCRZISNZLJRTB-GHMZBOCLSA-N 329.353 -0.842 5 20 EBBD CN(CCCNC(=O)CCCC(N)=O)c1ncc([N+](=O)[O-])c(N)n1 1095579536 LNTXJIYGSPHAQT-UHFFFAOYSA-N 339.356 -0.435 5 20 EBBD CNC(=O)CC(=O)N(C)CCN(C)c1ccnc(O)c1[N+](=O)[O-] 1105374849 VUHMPQIJIIKZNM-UHFFFAOYSA-N 325.325 -0.274 5 20 EBBD NC(=O)CC(=O)NC1(CO)CCN(c2ncccc2[N+](=O)[O-])CC1 1112657081 PCYONJXELJHOQD-UHFFFAOYSA-N 337.336 -0.687 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)CN1CCCCC1=O 1130759143 DDIABWNYWORAAJ-UHFFFAOYSA-N 338.368 -0.453 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CN1CCOCC1 1156753726 KHXCSVDBADKFQR-UHFFFAOYSA-N 340.384 -0.744 5 20 EBBD COC(=O)CNC(=O)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 1319257432 GRFIERSVMVSBSV-UHFFFAOYSA-N 348.109 -0.192 5 20 EBBD C[C@H](CN1CCN(C)CC1)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 1325870681 HIWJVJOISIZBMI-OCCSQVGLSA-N 326.401 -0.622 5 20 EBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 1327034448 ACEQCQTWPHHWDF-MWLCHTKSSA-N 346.361 -0.033 5 20 EBBD O=C(OCCn1cnc([N+](=O)[O-])n1)[C@@H]1CC12CCS(=O)(=O)CC2 1342600550 OMBFRCOREINAHE-VIFPVBQESA-N 344.349 -0.056 5 20 EBBD O=c1ccncn1CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 1582808183 BYOAEFGRKUSANI-UHFFFAOYSA-N 329.280 -0.161 5 20 EBBD CN(CCNS(C)(=O)=O)c1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1591103657 FLQPELQNSMKTNC-UHFFFAOYSA-N 341.353 -0.240 5 20 EBBD C[C@@H](NC(=O)c1ccc(N2CCNC(=O)C2)c([N+](=O)[O-])c1)C(=O)O 1593171070 REIRNCDPBKUUOG-MRVPVSSYSA-N 336.304 -0.266 5 20 EBBD Cc1nn(C)c(N2CCN(S(=O)(=O)N(C)C)CC2)c1[N+](=O)[O-] 51827052 NGISYYYZSHKUQG-UHFFFAOYSA-N 332.386 -0.435 5 20 EBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCNCC1 237551192 WOHGQQDAUGWHSF-GFCCVEGCSA-N 349.391 -0.266 5 20 EBBD CN[C@@H](C)CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 261679745 HLGLATWFFXUTSW-ZETCQYMHSA-N 330.366 -0.112 5 20 EBBD C[C@@](O)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)O 262564221 XJVONCYKJKOSMK-CYBMUJFWSA-N 326.261 -0.069 5 20 EBBD NC(=O)N[C@H](CO)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 270769354 PMOVFUGPTWGNRC-SNVBAGLBSA-N 337.336 -0.727 5 20 EBBD COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 271814647 YWGLMBJFOLONIY-MRVPVSSYSA-N 334.306 -0.584 5 20 EBBD CC(=O)c1cn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(=O)n(C)c1=O 342417761 GDJACAKEESGOJS-UHFFFAOYSA-N 346.299 -0.195 5 20 EBBD COc1ccc(S(=O)(=O)N(C)[C@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 352328161 GRFGOTZKXLHDDK-QWRGUYRKSA-N 332.334 -0.016 5 20 EBBD COC(=O)N[C@@H](C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 494119273 HAUYBZAUDQWYRI-LURJTMIESA-N 332.294 -0.461 5 20 EBBD NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-] 565061552 SZSLBCHLLWRVRK-MRVPVSSYSA-N 343.317 -0.069 5 20 EBBD O=C(O)c1ccc(S(=O)(=O)NC[C@@H]2COCCO2)cc1[N+](=O)[O-] 568980539 GUMYDKALOGKTEQ-MRVPVSSYSA-N 346.317 -0.013 5 20 EBBD C[C@@H](N)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 591352610 MKYCNWQVTPEKFU-SECBINFHSA-N 345.381 -0.481 5 20 EBBD C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)S(N)(=O)=O 768597767 VGFPKRSBLGJXQE-SSDOTTSWSA-N 335.313 -0.094 5 20 EBBD NS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] 845161025 TXDJQTKSLHLWKH-QMMMGPOBSA-N 343.317 -0.322 5 20 EBBD COc1nccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1001806904 NVVQSSVZVCMLJX-MWLCHTKSSA-N 335.320 -0.661 5 20 EBBD CN(C(=O)Cc1cc[nH]n1)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1042563228 AFRRTGURRVTJDR-UHFFFAOYSA-N 333.352 -0.063 5 20 EBBD Nc1nc(N2CCCN(C(=O)Cn3ccnc3)CC2)ncc1[N+](=O)[O-] 1057151996 GAYXTYALIBHYQC-UHFFFAOYSA-N 346.351 -0.098 5 20 EBBD Cc1ccc(CC(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 1057543456 JOHJGSMJDOZDNT-CHWSQXEVSA-N 339.348 -0.267 5 20 EBBD Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2nnc(O)nc2O)n1 1094253357 MRHVQOQXQHSUAB-UHFFFAOYSA-N 335.280 -0.264 5 20 EBBD CN(CCNC(=O)C(C)(C)C(N)=O)c1ncc([N+](=O)[O-])c(N)n1 1100186368 OAECZXBEARNKNC-UHFFFAOYSA-N 325.329 -0.969 5 20 EBBD Cn1ncc(C(=O)NCC2(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)n1 1110174531 INLJAHKNJIVDRI-UHFFFAOYSA-N 333.312 -0.530 5 20 EBBD CN1CCN(CC2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CC1 1117774567 AVJWATRQGQCVMA-UHFFFAOYSA-N 349.391 -0.538 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)CCc1ncccn1 1135553528 CMESPAZBXNWQQA-UHFFFAOYSA-N 333.352 -0.043 5 20 EBBD COCCOCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C 1177303940 HFNFWCKXZNDKJT-UHFFFAOYSA-N 343.384 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CS(=O)(=O)C1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC1 357254993 WPKPPEKVZUKXDF-UHFFFAOYSA-N 343.361 -0.160 5 20 EBBD Cc1cc(C(=O)NCC(=O)N[C@@H]2CCN(C(N)=O)C2)ccc1[N+](=O)[O-] 360517847 YPHZQWFEQGDKEO-LLVKDONJSA-N 349.347 -0.098 5 20 EBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@@H]2CNC[C@@H]2C1 418951525 UJXRUOIPYPIUGO-TXEJJXNPSA-N 348.359 -0.103 5 20 EBBD O=C(CNS(=O)(=O)c1cccnc1[N+](=O)[O-])N1CCOCC1 537352138 PXLAYPYFGFYTQV-UHFFFAOYSA-N 330.322 -0.873 5 20 EBBD NC(=O)[C@H]1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 603929203 ZMKLLSVMBFNMMJ-QMMMGPOBSA-N 328.350 -0.056 5 20 EBBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)[C@@H](C)O)CC1 765649848 YYTOYPIFHZABNU-SNVBAGLBSA-N 336.348 -0.016 5 20 EBBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC(=O)NCCO 800629705 WIPKSCVGFGMRIU-UHFFFAOYSA-N 342.283 -0.794 5 20 EBBD CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 854718729 KFPYRAOQZQPJDP-SNVBAGLBSA-N 343.340 -0.207 5 20 EBBD Cc1cc(S(=O)(=O)NC(=O)[C@@H]2COC(=O)N2)ccc1[N+](=O)[O-] 860551535 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CS(=O)(=O)NC(=O)CCNC(=O)COc1cccc([N+](=O)[O-])c1 277612597 LWDYYNSCJVTSEH-UHFFFAOYSA-N 345.333 -0.444 5 20 EBBD O=C(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])N1CCNCC1 323855127 ADVLGKLKJGMGNK-UHFFFAOYSA-N 346.340 -0.556 5 20 EBBD NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 355471886 MATJBNKNPGDLTJ-JTQLQIEISA-N 343.317 -0.069 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](N2CCNC2=O)C1 522262024 ADFYHLCTSPTNEL-LLVKDONJSA-N 349.347 -0.227 5 20 EBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1nnnn1CC1CC1 547440943 JNJCASREXSAMGF-UHFFFAOYSA-N 339.337 -0.135 5 20 EBBD CO[C@@H]1COC[C@H]1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 566261304 ULGOYPJEOHMNCU-VXGBXAGGSA-N 349.299 -0.279 5 20 EBBD Cn1ccc(NCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)n1 591936631 YWYIXFZLAVHJGZ-UHFFFAOYSA-N 340.365 0.500 5 20 EBBD NS(=O)(=O)NC1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 600561350 DQYVOCWSXXIJDC-UHFFFAOYSA-N 344.349 -0.302 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C(=O)O)[C@@H]2CCCOC2)n1 600660322 RAZOHMPASCQPEN-VXNVDRBHSA-N 348.337 -0.514 5 20 EBBD CCOC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 736596350 ZZBBDFRTCBAFQA-SNVBAGLBSA-N 349.307 -0.062 5 20 EBBD COc1cc(S(=O)(=O)NCCS(C)(=O)=O)ccc1[N+](=O)[O-] 759254040 SHDCDANZJABMPR-UHFFFAOYSA-N 338.363 -0.074 5 20 EBBD CC1(C(=O)N2CCN(C3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)CC1 967216877 CBWOKEGBQCHOFX-CHWSQXEVSA-N 336.392 -0.193 5 20 EBBD O=C(N[C@H]1[C@@H]2CN(C(=O)Cc3cccnc3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 976476051 AHUVMATYCQOOOU-VVSAWPALSA-N 330.344 -0.138 5 20 EBBD O=C(NC1CN(C(=O)Cn2ncc3cccnc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991293527 BIOMTAJCOVQXOX-VXGBXAGGSA-N 344.331 -0.577 5 20 EBBD COc1ncccc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1001810469 MTOQDKJRHWLGQQ-VXGBXAGGSA-N 334.332 -0.056 5 20 EBBD C[C@@]12CN(C(=O)CC(N)=O)C[C@]1(C)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1010960590 UECGEXPFKBPCBN-IDMWTJEOSA-N 338.364 -0.776 5 20 EBBD O=C(NCC1=CCN(C(=O)Cc2nc[nH]n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1017443576 MMJHQUQTPDBMFZ-GHMZBOCLSA-N 334.336 -0.713 5 20 EBBD Cc1ccnc(NCCNC(=O)CCn2ncn(C)c2=O)c1[N+](=O)[O-] 1094000693 GMZLUWXANOKAFN-UHFFFAOYSA-N 349.351 -0.188 5 20 EBBD CCCN(CCNC(=O)c1nc[nH]n1)c1ncc([N+](=O)[O-])c(N)n1 1101169999 JBKQWRVJSOWXAG-UHFFFAOYSA-N 335.328 -0.269 5 20 EBBD Cc1c(CC(=O)NCCNCc2c([N+](=O)[O-])ncn2C)cnn1C 1129048603 SCPBFDUYKUZTGP-UHFFFAOYSA-N 335.368 -0.181 5 20 EBBD C[C@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C)[N+](=O)[O-] 1525469116 URWCERVZTDTZCO-SNVBAGLBSA-N 325.373 -0.637 5 20 EBBD NS(=O)(=O)C1CN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 1592746673 AYLGDFRXWMSBRX-UHFFFAOYSA-N 339.337 -0.752 5 20 EBBD COC(=O)[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@H](C)O 274383026 SZGQAUFELROCPN-JOYOIKCWSA-N 346.361 -0.021 5 20 EBBD C[C@]1(C(N)=O)CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 280106371 BKOWARGLWGLUGN-LBPRGKRZSA-N 328.350 -0.056 5 20 EBBD CC(C)NS(=O)(=O)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 299363761 NUJZPKCJUYBVIC-UHFFFAOYSA-N 333.370 -0.375 5 20 EBBD CCn1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OC)c([N+](=O)[O-])n1 339038969 DRHLOHGCHJCTKC-SFYZADRCSA-N 348.337 -0.892 5 20 EBBD NC(=O)N[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 342770074 UPQJCJAZVHEWSP-SSDOTTSWSA-N 329.338 -0.511 5 20 EBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 346910963 MIQACHMEASFEOM-NSHDSACASA-N 334.288 -0.020 5 20 EBBD NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)O1 347845892 KXAZEUPNQYSBQG-BQBZGAKWSA-N 335.363 -0.033 5 20 EBBD Cn1cc(N2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])nn3C)C2=O)cn1 358040730 QGQWWJKLSYRDJG-JTQLQIEISA-N 347.335 -0.013 5 20 EBBD COCCNCCNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 420177069 BLMBVADZHPONQX-UHFFFAOYSA-N 338.364 -0.095 5 20 EBBD CCN(CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-])S(C)(=O)=O 548739756 WSUTUVZIOIJOIB-UHFFFAOYSA-N 345.381 -0.027 5 20 EBBD COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O 577527731 ASFHZQZBFOJZJN-LLVKDONJSA-N 343.336 -0.518 5 20 EBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1Cc1cc(O)ccc1[N+](=O)[O-] 593289280 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O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCN(C(=O)C2CC2)CC1 161718323 HORCXFJPDLLGGV-UHFFFAOYSA-N 334.332 -0.163 5 20 EBBD CNS(=O)(=O)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 275821204 AZYIWWDPSOJMTN-UHFFFAOYSA-N 333.370 -0.536 5 20 EBBD CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H]1COC[C@H]1O 342400948 BFQJGXMJKGAOKB-VXGBXAGGSA-N 344.345 -0.170 5 20 EBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F 344956823 VJMWGSMSBQIUHH-NSHDSACASA-N 339.279 -0.224 5 20 EBBD CS(=O)(=O)c1cccc(N2CCN(CC(N)=O)CC2)c1[N+](=O)[O-] 345160408 JASZFPWZIMHIAF-UHFFFAOYSA-N 342.377 -0.394 5 20 EBBD Cc1c(C(=O)N[C@@H]2CN(C)NC2=O)nnn1-c1cccc([N+](=O)[O-])c1 450620925 ZOUQVYFBOKESHS-LLVKDONJSA-N 345.319 -0.441 5 20 EBBD CNS(=O)(=O)[C@H]1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)C1 576541544 HBBQIJGEAJWONZ-QMMMGPOBSA-N 330.322 -0.541 5 20 EBBD C[C@H](C(=O)O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 577373692 XXKULIYWFDMUAH-QMMMGPOBSA-N 345.333 -0.290 5 20 EBBD C[C@]1(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCNC1 595990981 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Cc1c(C(=O)NN2CCOC2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 862700818 XVRKKHQCRPQUPS-UHFFFAOYSA-N 344.305 -0.352 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C(C)(C)S(C)(=O)=O)C1 954243152 KYAVLPZIJNDUEA-NXEZZACHSA-N 347.393 -0.856 5 20 EBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)Cn2ccnc2C)C1 967952081 YNGGUNITUODHPP-CHWSQXEVSA-N 335.364 -0.084 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1CCCN(C(=O)c2cnnn2C)CC1 981071928 XJNPTCQMCMGSRJ-UHFFFAOYSA-N 348.367 -0.195 5 20 EBBD O=C(NCc1nc(O)cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1)C1CC1 984126855 PFNHIDMHAUBNRD-NXEZZACHSA-N 335.320 -0.510 5 20 EBBD Nc1nc(N2C[C@H]3[C@H](NC(=O)c4cnns4)[C@H]3C2)ncc1[N+](=O)[O-] 1060385172 DZZGYEOARRSDCD-KPCSLPGQSA-N 348.348 -0.317 5 20 EBBD CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCNC(N)=O 1067389994 ZKIMBZMHQIZXQD-NXEZZACHSA-N 329.357 -0.983 5 20 EBBD CCN(C(=O)CN1CCCC1=O)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1079292607 BTLQBVGCYATFFT-VXGBXAGGSA-N 338.364 -0.667 5 20 EBBD CN(C)CCN(C)CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1117674262 ZOIIYRBYPBLNQG-UHFFFAOYSA-N 339.396 -0.244 5 20 EBBD CNC(=O)[C@@H]1CN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCO1 1591205588 WUORFPHFYSKNST-JTQLQIEISA-N 333.308 -0.274 5 20 EBBD COC(=O)[C@@]1(O)CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 1591247582 VTYCBAODZCJXHI-CYBMUJFWSA-N 334.292 -0.111 5 20 EBBD CC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 15205669 PIASKRPCHJNMAQ-UHFFFAOYSA-N 328.350 -0.089 5 20 EBBD O=C1CN(CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCN1 273584946 HQYIUHSBOIKCHF-UHFFFAOYSA-N 342.377 -0.554 5 20 EBBD CCS(=O)(=O)NCCNC(=O)CCn1cc([N+](=O)[O-])nc1C 299529713 RGLCDYWFXHVHJR-UHFFFAOYSA-N 333.370 -0.455 5 20 EBBD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CO)CC2)cc1[N+](=O)[O-] 342372104 IMKAOILKEWWGSU-UHFFFAOYSA-N 343.361 -0.272 5 20 EBBD COC(=O)CNC(=O)Cn1c(-c2ccc([N+](=O)[O-])cc2)noc1=O 357323254 LIAHLOJZOIZTJT-UHFFFAOYSA-N 336.260 -0.299 5 20 EBBD COc1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc1[N+](=O)[O-] 360576257 LBWPNSPLLXZCOO-SNVBAGLBSA-N 340.336 -0.419 5 20 EBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1nc(O)n[nH]1 443511537 QREIEJBFOUXUJU-UHFFFAOYSA-N 346.259 -0.669 5 20 EBBD CNc1nccc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)c1[N+](=O)[O-] 594372639 LMGKYOLYUNAHDM-UHFFFAOYSA-N 346.351 0.108 5 20 EBBD Cn1nccc1[C@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594783494 GYLOVAJQDZMFGG-QMMMGPOBSA-N 327.322 -0.265 5 20 EBBD CCn1cc(S(=O)(=O)N(C)C[C@@H]2COCCO2)c([N+](=O)[O-])n1 594842225 HVOUAYWIZYFSLT-SECBINFHSA-N 334.354 -0.153 5 20 EBBD NC(=O)N[C@H]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 596180771 UPBUMGKQVQSFGO-ZETCQYMHSA-N 329.338 -0.511 5 20 EBBD NS(=O)(=O)c1cccc(NCC(=O)N2CCCO2)c1[N+](=O)[O-] 599091790 ZPTSSDAVKZESKM-UHFFFAOYSA-N 330.322 -0.182 5 20 EBBD CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1CCO 614894616 HHQUCGJURVGKEW-UHFFFAOYSA-N 338.364 -0.328 5 20 EBBD Nc1n[nH]c(CCCN=c2cc[nH]cc2[N+](=O)[O-])c1-c1nn[nH]n1 737769945 RQUQUUDDYKTTRU-UHFFFAOYSA-N 330.312 -0.058 5 20 EBBD O=C1NC[C@@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CCN12 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348.359 -0.713 5 20 EBBD O=C(NCC1CC1)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1064238683 MOAQPRPUNCJSQP-GHMZBOCLSA-N 338.364 -0.667 5 20 EBBD COCCCOCCC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 1093844801 VILXEBIFGJBSPV-UHFFFAOYSA-N 342.356 -0.062 5 20 EBBD CCN(CCNC(=O)Cn1ncnn1)c1nc(C)ccc1[N+](=O)[O-] 1100624982 LAADUZWGQNUUCF-UHFFFAOYSA-N 334.340 -0.073 5 20 EBBD CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)c1cc(C(N)=O)co1 1101956364 KHSIBTAZWNDDAH-UHFFFAOYSA-N 349.307 -0.157 5 20 EBBD O=C(CCn1ccnn1)N(CCO)CCNc1ccc([N+](=O)[O-])cn1 1111467140 XIVSBWROFSSXPW-UHFFFAOYSA-N 349.351 -0.096 5 20 EBBD Cc1cnc(N(C)CCOCCNC(=O)CC(N)=O)c([N+](=O)[O-])c1 1115199875 AVQHHEBNXOBMDF-UHFFFAOYSA-N 339.352 -0.257 5 20 EBBD Cn1ccnc1N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1319591293 HDMAOVPHGSPTLD-UHFFFAOYSA-N 346.347 -0.161 5 20 EBBD CC(=O)OC[C@@H](CO)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 1344392610 NLFSVNLUQQHAIE-SECBINFHSA-N 326.261 -0.023 5 20 EBBD C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(N)=O 264001710 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O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1C[C@H](O)C[C@H]1CO 351576936 QAMMAUJYJOUVRC-WDEREUQCSA-N 327.268 -0.374 5 20 EBBD O=C(NCCN1C(=O)CNC1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 355578675 TVGKLVZXKDEDRZ-UHFFFAOYSA-N 335.276 -0.799 5 20 EBBD COC(=O)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)O 519775608 UGNMMNKVNCCVJY-SKDRFNHKSA-N 346.361 -0.120 5 20 EBBD CC[C@H](CNS(C)(=O)=O)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 570794722 FVYJDXMZHDPGDZ-KOLCDFICSA-N 335.386 -0.930 5 20 EBBD C[C@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC(=O)N1 574736898 SRLNFBHHQOTTCB-JTQLQIEISA-N 346.343 -0.174 5 20 EBBD COC[C@@](C)(CC(=O)O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600664731 GOGMCQPHHJJKIP-SNVBAGLBSA-N 336.326 -0.514 5 20 EBBD COC(=O)C[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCO1 821659994 BOCZAPLNCOQYJE-QMMMGPOBSA-N 349.307 -0.062 5 20 EBBD CNc1nccc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)c1[N+](=O)[O-] 847473256 QLBYDTWVPQKCTR-MRVPVSSYSA-N 334.296 -0.242 5 20 EBBD O=c1nc(O)c(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cn1CCO 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Cc1[nH]nc(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c1[N+](=O)[O-] 342211693 UJLFLYADGVDNQB-IUCAKERBSA-N 325.325 -0.008 5 20 EBBD Nc1nc(N=c2ccn(CCN3CCOCC3)[nH]2)ncc1[N+](=O)[O-] 343586156 YOAAEUSPZAZGRJ-UHFFFAOYSA-N 334.340 -0.339 5 20 EBBD Cc1ccc(S(=O)(=O)N2CC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 351494876 RZYGOIBKKQTHOL-LBPRGKRZSA-N 329.334 -0.486 5 20 EBBD NS(=O)(=O)c1cccc(NCCN2C(=O)CNC2=O)c1[N+](=O)[O-] 352373412 ISRZFAKUOBLHKY-UHFFFAOYSA-N 343.321 -0.794 5 20 EBBD CC(CO)(CO)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 357730399 HNXWBLHRTIZTRM-UHFFFAOYSA-N 326.305 -0.232 5 20 EBBD CN1CC[C@](O)(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 358331588 RHBINIRPGJSDNB-LBPRGKRZSA-N 330.366 -0.279 5 20 EBBD N=C(O)OCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 495240572 ZDEHCQREANKHAQ-UHFFFAOYSA-N 338.276 -0.054 5 20 EBBD N[C@@H]1C[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CCN2C1=O 577412024 NLJHFHAWSDHLSB-WCQYABFASA-N 334.332 -0.256 5 20 EBBD CC(C)NC1(CO)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 584728774 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C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(C(=O)O)c1[N+](=O)[O-] 593311888 WXKIVTFWJOUPDB-SSDOTTSWSA-N 343.317 -0.198 5 20 EBBD CNC[C@@H](C)NC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 595279549 NDPRXERQDMCRCH-MRVPVSSYSA-N 334.336 -0.189 5 20 EBBD CCOC(=O)c1ccnc(N2CC(NS(C)(=O)=O)C2)c1[N+](=O)[O-] 599146349 FYDVXXDBVBOVCJ-UHFFFAOYSA-N 344.349 -0.096 5 20 EBBD O=C(O)c1cc(C(=O)NCCN2C(=O)CNC2=O)cc([N+](=O)[O-])c1 738673058 OZHSSLRXEJYYSE-UHFFFAOYSA-N 336.260 -0.425 5 20 EBBD CS(=O)(=O)NC1CC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 831873051 OGTWEYLKXXZMQA-CBINBANVSA-N 343.361 -0.175 5 20 EBBD O=C1N[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]2CO1 844119507 DMQPKQXLWANMEN-KOLCDFICSA-N 336.304 -0.287 5 20 EBBD Cc1nn(C)c(C)c1CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991288720 TXQOQFKGTFGNJB-CHWSQXEVSA-N 335.364 -0.428 5 20 EBBD O=C(NCCN(CCO)C(=O)c1cscn1)[C@@H]1C[C@H]1[N+](=O)[O-] 1057188184 ZATPDWULYDOQHQ-PSASIEDQSA-N 328.350 -0.641 5 20 EBBD O=C(Cn1ncnn1)NC/C=C\CNc1ncc([N+](=O)[O-])cc1F 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C[C@H](C(N)=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 16520179 CCISMOUGXIXJEA-SNVBAGLBSA-N 342.377 -0.225 5 20 EBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)C2CC2)c1 266110101 BSRJIKFBRQRUHN-UHFFFAOYSA-N 349.390 -0.045 5 20 EBBD COc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 269020643 PLMSGMBCQZDQSX-NSHDSACASA-N 334.332 -0.254 5 20 EBBD Nc1c(C(=O)NCC(=O)N2CCOCC2)cc(F)cc1[N+](=O)[O-] 271970927 HPRRDXHNHMNMET-UHFFFAOYSA-N 326.284 -0.095 5 20 EBBD NC(=O)C1=NO[C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 289563512 HGYGJOATRVOFAU-ZETCQYMHSA-N 343.321 -0.716 5 20 EBBD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)O1 342111953 ZKYZDFNABRAPLF-NWDGAFQWSA-N 339.352 -0.067 5 20 EBBD CC(=O)N[C@@H](CC(=O)NCCNc1ccccc1[N+](=O)[O-])C(N)=O 353808718 SDDMHSYMLSCEMN-NSHDSACASA-N 337.336 -0.497 5 20 EBBD COC[C@](C)(O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 531116196 UZKNHNYWCDQNSP-CQSZACIVSA-N 325.321 -0.162 5 20 EBBD O=C(Cn1cnnn1)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 537203192 QNNIJGBKFQWEOG-UHFFFAOYSA-N 343.307 -0.247 5 20 EBBD CN1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 563619827 ZYGONCGFJSYHIM-CYBMUJFWSA-N 335.364 -0.688 5 20 EBBD N[C@@H]1C[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O 574292617 PAZJAXHZNKTHDE-GHMZBOCLSA-N 333.348 -0.223 5 20 EBBD NC(=O)[C@@H]1CC[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 581365166 HTHFCJQPEJDEQV-UBHSHLNASA-N 339.348 -0.043 5 20 EBBD COC(=O)[C@@H]1CNCCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C 592547833 AMAKPJPTKRKMAI-VIFPVBQESA-N 325.325 -0.386 5 20 EBBD CS(=O)(=O)N1CCC[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 599697606 QTVNIKJHJKSPAY-JTQLQIEISA-N 345.381 -0.421 5 20 EBBD CCc1[nH]nc(C(=O)NC2CC(NS(C)(=O)=O)C2)c1[N+](=O)[O-] 619778476 HYYIPJRULORFHM-UHFFFAOYSA-N 331.354 -0.310 5 20 EBBD O=C(COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCO1 748916302 HVMMPBWGPFPAIR-LLVKDONJSA-N 339.304 -0.405 5 20 EBBD Cn1ncc([N+](=O)[O-])c1C(=O)OCCN1C(=O)NC(C)(C)C1=O 766966795 FZKPSXZOYDIALF-UHFFFAOYSA-N 325.281 -0.185 5 20 EBBD Cc1c(CC(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cnn1C 954240155 XVPMEZGPLOCLBO-CHWSQXEVSA-N 335.364 -0.395 5 20 EBBD O=C(CCc1cnn[nH]1)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 969003411 HTWDOPKZOXIMIO-YVECIDJPSA-N 348.363 -0.396 5 20 EBBD COc1cncc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 979752577 SMAMDVDABTVDQY-DNRKLUKYSA-N 349.347 -0.225 5 20 EBBD Cn1ncc(C(=O)N2CCCN(Cc3c([N+](=O)[O-])ncn3C)CC2)n1 982205196 IMDJWBOHTFDNTL-UHFFFAOYSA-N 348.367 -0.195 5 20 EBBD COc1cc(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)ncn1 1093895714 AUKLSHLNZLBOFC-UHFFFAOYSA-N 334.296 -0.393 5 20 EBBD Nc1nc(NCCNC(=O)c2cc3n(n2)CCO3)ncc1[N+](=O)[O-] 1094212917 SRMOGFXFHBYIPX-UHFFFAOYSA-N 334.296 -0.602 5 20 EBBD O=C(CN1C(=O)CNC1=O)NCCCNc1ccc([N+](=O)[O-])cn1 1094425217 ZRELAJNMGVPHFI-UHFFFAOYSA-N 336.308 -0.540 5 20 EBBD CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CCCS(N)(=O)=O 1101924373 OCZFEIGDMHSDNN-UHFFFAOYSA-N 345.381 -0.071 5 20 EBBD CN(CCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)C1CC(=O)NC(=O)C1 1105431485 DNAXWCSGHVYPQY-UHFFFAOYSA-N 349.347 -0.063 5 20 EBBD Nc1nc(NC/C=C\CNC(=O)CCn2cncn2)ncc1[N+](=O)[O-] 1107043917 LQQMLRJDKMEQCA-UPHRSURJSA-N 347.339 -0.267 5 20 EBBD CN(CCOCCNC(=O)CC(N)=O)c1ncccc1[N+](=O)[O-] 1115200273 VYGSGKIROBHPOS-UHFFFAOYSA-N 325.325 -0.566 5 20 EBBD CN(CCNS(C)(=O)=O)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 1318472722 VVEMBYMLQFCQAZ-UHFFFAOYSA-N 345.333 -0.055 5 20 EBBD O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H](O)CN1CCCC1=O 1319305303 OULOFWFBMXUUDS-LLVKDONJSA-N 325.325 -0.719 5 20 EBBD COC(=O)C1(O)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1319730394 KIRFIJHZKHRTSO-UHFFFAOYSA-N 339.304 -0.717 5 20 EBBD COC[C@@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C(C)C 1346632530 CJYXUKBJVVITDU-LLVKDONJSA-N 327.341 -0.305 5 20 EBBD COC(=O)[C@@]1(O)CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 1591246216 BKXWSYJPGMLXOE-CQSZACIVSA-N 348.319 -0.115 5 20 EBBD O=C(O)c1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] 1608911901 FLTAOCODNYUJLJ-QMMMGPOBSA-N 345.333 -0.440 5 20 EBBD CCC(=O)NCC(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C 1753176506 RQHOWXLDDBUYHF-UHFFFAOYSA-N 326.357 -0.598 5 20 EBBD CCCc1[nH]nc(C(=O)N2CCN(CC(=O)NC)CC2)c1[N+](=O)[O-] 264615038 QINKIDBKLADJQE-UHFFFAOYSA-N 338.368 -0.226 5 20 EBBD COC(=O)CN(CC(=O)OC)C(=O)c1cccc([N+](=O)[O-])c1N 267225749 BLPJXESPOUVGBS-UHFFFAOYSA-N 325.277 -0.035 5 20 EBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)[C@H](C)O)CC1 270806073 BGWUZWLMISQSDC-JTQLQIEISA-N 339.352 -0.459 5 20 EBBD CS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 298118530 SMGQAVCTTZBWFF-UHFFFAOYSA-N 330.322 -0.587 5 20 EBBD CCNC(=O)CN1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 299304885 UNCNQVWXUNIBED-UHFFFAOYSA-N 338.368 -0.538 5 20 EBBD O=C1CN(CC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C(=O)N1 348847768 HGGHXTBATOTZJF-UHFFFAOYSA-N 344.287 0.475 5 20 EBBD CN(C)C(=O)NCCN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 355631436 OKFLHNKDLGEAJN-UHFFFAOYSA-N 325.325 -0.514 5 20 EBBD NC(=O)NC(=O)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 360120868 BFYAVCKGOIHKMB-UHFFFAOYSA-N 334.285 -0.403 5 20 EBBD COCCOCCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 593887407 STDWVMZCZCAPRX-UHFFFAOYSA-N 341.368 -0.402 5 20 EBBD O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)N1 597701159 SSNWANJUMLENLO-NSHDSACASA-N 332.316 -0.232 5 20 EBBD CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 610874715 QZMDWTVXFJHNFB-NSHDSACASA-N 345.381 -0.278 5 20 EBBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC(CO)CO)cc1OC 611288138 PTACFMFPBDKQLT-UHFFFAOYSA-N 344.320 -0.288 5 20 EBBD CCNC(=O)NC(=O)[C@H](C)OC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748918410 VISKMWCUZJUMCM-QMMMGPOBSA-N 340.292 -0.466 5 20 EBBD COC(=O)C[C@@]1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCOC1 770711400 VCAQMPZZTGXCPG-OCCSQVGLSA-N 342.352 -0.146 5 20 EBBD O=C(O)c1cn([C@@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)nn1 818317148 HWOZVCPMIFKIES-SECBINFHSA-N 349.307 -0.055 5 20 EBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1CN2CCN1CC2 826497336 DCTWLHJDDDZRRG-SECBINFHSA-N 331.340 -0.418 5 20 EBBD CNS(=O)(=O)CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 863429347 CQQVDGUJGKHXRK-NSHDSACASA-N 331.350 -0.316 5 20 EBBD Cn1nncc1C(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 944935046 XXRMWTSBMXHIQV-GHMZBOCLSA-N 348.363 -0.455 5 20 EBBD COc1cccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1004062083 ZXKKKWUKNDHVNC-ZYHUDNBSSA-N 334.332 -0.056 5 20 EBBD Cc1c(C(=O)N[C@H]2C[C@@H](NCc3c([N+](=O)[O-])ncn3C)C2)nnn1C 1021923870 GCTSRPPIMWMQIK-AOOOYVTPSA-N 348.367 -0.184 5 20 EBBD Cc1coc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1057545274 ZASMMRGXEZOSGP-GHMZBOCLSA-N 325.321 -0.196 5 20 EBBD Nc1nc(N2C[C@H]3[C@H](NC(=O)Cc4cnoc4)[C@H]3C2)ncc1[N+](=O)[O-] 1060466379 XWTQAYQQYFYDMX-GDGBQDQQSA-N 345.319 -0.252 5 20 EBBD CN(CCCNC(=O)c1ncn(C)n1)c1ncc([N+](=O)[O-])c(N)n1 1095537472 PQWWOTVWANOFJL-UHFFFAOYSA-N 335.328 -0.648 5 20 EBBD Cc1nn[nH]c1C(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 1107456044 GBGFGFSQZLAXQA-NSCUHMNNSA-N 333.312 -0.208 5 20 EBBD Nc1nc(NC2(CNC(=O)c3cc[n+]([O-])cc3)CC2)ncc1[N+](=O)[O-] 1110055257 GYPRBYBSHAQWSM-UHFFFAOYSA-N 345.319 -0.025 5 20 EBBD O=C(Cn1cnc([N+](=O)[O-])n1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 1115990084 PEKWWQVXMZAQNX-SECBINFHSA-N 329.338 -0.636 5 20 EBBD Cc1ncc([N+](=O)[O-])n1CC(=O)N=c1cc[nH]cc1-c1nn[nH]n1 1592412075 CNDUXMGWABIXCH-UHFFFAOYSA-N 329.280 -0.265 5 20 EBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1593310496 PFGXDPPETQBUPB-GHMZBOCLSA-N 344.335 -0.425 5 20 EBBD O=C(N[C@@H](CO)C(=O)O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1608394692 FUYZNRMEXLNSTK-NSHDSACASA-N 339.304 -0.393 5 20 EBBD Nc1nsc(N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)n1 268208619 IQXKJWCKPBQWIL-UHFFFAOYSA-N 338.353 -0.426 5 20 EBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(=O)NCC(=O)O 298299190 PXRXITZAKUKYPA-UHFFFAOYSA-N 331.306 -0.618 5 20 EBBD CN1CCO[C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@@H]21 331696066 WNIVIAOQKAUABG-STQMWFEESA-N 338.368 -0.094 5 20 EBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](O)COC 338648964 GXQXUNFYOQNLFU-NXEZZACHSA-N 329.357 -0.049 5 20 EBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(C(N)=O)C1 357627902 LJFPOSKFZVVDBF-KOLCDFICSA-N 349.347 -0.018 5 20 EBBD CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 363485852 BTCFRXDGVLOPRT-LLVKDONJSA-N 342.377 -0.183 5 20 EBBD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c([N+](=O)[O-])cnn1C 428066583 LBLUXSJPILANGZ-SFYZADRCSA-N 341.324 -0.486 5 20 EBBD COc1cc(OCC(=O)N2CC(=O)N(C)C(=O)C2)ccc1[N+](=O)[O-] 563401284 MWDYBTVYJVXXKF-UHFFFAOYSA-N 337.288 -0.191 5 20 EBBD COC[C@H](C)NC(=O)NC(=O)CSc1ncc([N+](=O)[O-])c(N)n1 565315611 VDBDSEKFADFUDA-LURJTMIESA-N 344.353 -0.080 5 20 EBBD Cc1ccc(S(=O)(=O)N[C@@]2(C(N)=O)CCOC2)cc1[N+](=O)[O-] 573020899 ZABROJNSNDSHBH-LBPRGKRZSA-N 329.334 -0.174 5 20 EBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@@H](C(N)=O)C1 619480166 NPACYAVLWSLHJQ-SECBINFHSA-N 345.333 -0.522 5 20 EBBD CCNS(=O)(=O)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 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COCCN(CCNC(=O)CNC(N)=O)c1ccc([N+](=O)[O-])cn1 1126191343 DTEVCMLWLPKYDY-UHFFFAOYSA-N 340.340 -0.773 5 20 EBBD Cn1cc(-c2cc(CNCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])on2)cn1 1126936199 ABCLCVGUWWROQA-DGCLKSJQSA-N 334.336 -0.054 5 20 EBBD NC(=O)c1ccccc1NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1126936850 UPRXRJBILYSMME-ZYHUDNBSSA-N 349.347 -0.905 5 20 EBBD CC(C)(CO)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1319488685 GNTNNWDYXIOOPA-CYBMUJFWSA-N 327.385 -0.459 5 20 EBBD COC(=O)C1(O)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 1319729262 NERQDACSYQKFOU-UHFFFAOYSA-N 326.309 -0.292 5 20 EBBD NC(=O)NC1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1592731571 GGZWXAJJPBXJKV-UHFFFAOYSA-N 333.312 -0.193 5 20 EBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC(CN2CCOCC2)C1 1593466117 MLFJAIOFOZNNKP-UHFFFAOYSA-N 346.351 -0.062 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)n1 1600971042 VVQQSHDFSCGKET-BUYFANAVSA-N 330.322 -0.140 5 20 EBBD COCCOCCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 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O=C1CNC(=O)N1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 517876458 SKDRWTMCDIANIS-UHFFFAOYSA-N 334.336 -0.336 5 20 EBBD COc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)ccc1[N+](=O)[O-] 563210051 BUSORZULDBSMGJ-JTQLQIEISA-N 344.393 -0.133 5 20 EBBD Cn1nnnc1N1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 563727687 WWLCLDMXCRJOKO-UHFFFAOYSA-N 347.339 -0.506 5 20 EBBD Cc1nc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c(C(=O)NCCO)n1C 597560369 SORCOGREHDOZBN-UHFFFAOYSA-N 336.308 -0.061 5 20 EBBD COC(=O)[C@@](C)(O)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598615037 QFJQNIWNMPLDTF-ZDUSSCGKSA-N 341.324 -0.443 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)n1 859071653 NPFSQSBWCVPVHS-UHFFFAOYSA-N 345.297 -0.589 5 20 EBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@@H](C(=O)O)C(C)(C)C)n1 863965329 JJMXHRVWHAPWJQ-ZETCQYMHSA-N 348.337 -0.120 5 20 EBBD CN(C(=O)c1cc2n(n1)CCO2)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954548951 NQVYWKPORPOIHB-MWLCHTKSSA-N 335.320 -0.777 5 20 EBBD NC(=O)C(=O)N1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 964380666 DVVGZRPHMUPWII-CHWSQXEVSA-N 346.343 -0.662 5 20 EBBD O=C(c1cn[nH]c1)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 965323597 OECOAMZWUURGIM-GHMZBOCLSA-N 335.320 -0.872 5 20 EBBD CCn1nncc1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 978807150 FJFWEWZRACOGQP-LMLFDSFASA-N 336.352 -0.412 5 20 EBBD O=C(NC1CN(C(=O)c2ccnc3ccnn23)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991294428 KMOIXSMXKZNLBZ-MWLCHTKSSA-N 330.304 -0.665 5 20 EBBD O=C(NCC1CCN(CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001401081 YKQUDGCCRKAZSA-CHWSQXEVSA-N 339.396 -0.495 5 20 EBBD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccsc1 1057543329 CODGTWSSEWGJKG-GHMZBOCLSA-N 327.362 -0.036 5 20 EBBD Nc1nc(NCCNC(=O)c2csc(O)n2)ncc1[N+](=O)[O-] 1094050189 DEXBNTGAOZVSDR-UHFFFAOYSA-N 325.310 -0.029 5 20 EBBD CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CNC(C)=O 1106661603 REIOAGIKLUFTIK-UHFFFAOYSA-N 325.329 -0.637 5 20 EBBD CN(CCOCCN)C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 1118865326 KWJIPDBLJWERIS-UHFFFAOYSA-N 338.364 -0.313 5 20 EBBD CN1CCN(CC(=O)NCCNCc2ccccc2[N+](=O)[O-])CC1=O 1130553255 AHHBTIQUMUMCQK-UHFFFAOYSA-N 349.391 -0.425 5 20 EBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)C1CC1 1801640068 PSWRJMLBXJUBMT-PEGIJTEDSA-N 349.347 -0.069 5 20 EBBD Cn1ccnc1[C@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 261707995 KIXPCBDTEWAMMV-GFCCVEGCSA-N 346.347 -0.337 5 20 EBBD COC(=O)[C@]1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCOC1 267969190 BFZPTMGWOQAHSS-ZDUSSCGKSA-N 325.277 -0.795 5 20 EBBD CNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 275884726 MRPVYLUHILUCQO-UHFFFAOYSA-N 330.366 -0.060 5 20 EBBD C[C@@H]1C(=O)N(C)S(=O)(=O)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 282910097 FOWYJBJGDZUYAW-SSDOTTSWSA-N 342.333 -0.399 5 20 EBBD CCn1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2C(C)C)c([N+](=O)[O-])n1 339048780 XMIGTHHZSHAZNI-JTQLQIEISA-N 345.381 -0.044 5 20 EBBD CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H]1COC[C@H]1O 342400943 BFQJGXMJKGAOKB-NWDGAFQWSA-N 344.345 -0.170 5 20 EBBD O=c1nc(CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])[nH]o1 347420431 NZDYLPLKOSCWGX-UHFFFAOYSA-N 328.306 -0.067 5 20 EBBD COc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] 396865814 XTUKWIGKZXUCBA-JOYOIKCWSA-N 346.361 -0.033 5 20 EBBD C[C@@](O)(CNC(=O)c1cnc(O)c([N+](=O)[O-])c1)CN1CCOCC1 445003805 BVHSFRQEOGVJAS-CQSZACIVSA-N 340.336 -0.492 5 20 EBBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)N1 593458582 SVBRZZACZLUJKI-LLVKDONJSA-N 329.334 -0.219 5 20 EBBD C[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCS(=O)(=O)C1 594346502 GGWOLWBWOPEQDX-QMMMGPOBSA-N 328.350 0.079 5 20 EBBD Cc1c(NC(=O)CCN(CCN)C[C@H](O)CO)cccc1[N+](=O)[O-] 595901517 FDBBFLUDECNYPK-LBPRGKRZSA-N 340.380 -0.154 5 20 EBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 598027006 IHJCGXZNPMHGBM-GHMZBOCLSA-N 330.318 -0.158 5 20 EBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)C(C)(C)C(N)=O)CC1 953928661 IDQRCZZCQOBHSC-GHMZBOCLSA-N 340.380 -0.388 5 20 EBBD Cc1nn(C)c(C)c1CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954870167 LTPHMRYTNASVIX-ZIAGYGMSSA-N 349.391 -0.086 5 20 EBBD O=C(Cc1cnn2ccccc12)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 994714268 CMYHNGQXYGFXCX-TZMCWYRMSA-N 343.343 -0.131 5 20 EBBD O=C(NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)c1cnn[nH]1 1014001068 VBQREJUAEJHMOU-FEVLBPGZSA-N 334.336 -0.373 5 20 EBBD Cn1c(C(=O)N2CC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cnc1O 1019253234 OFKMQZCVRPBBOL-NXEZZACHSA-N 349.347 -0.535 5 20 EBBD Cc1n[nH]c(C)c1NC(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1030294732 SGWCXHQVFHSDAB-GHMZBOCLSA-N 336.352 -0.569 5 20 EBBD CCn1cc(CC(=O)NC2CN(Cc3c([N+](=O)[O-])ncn3C)C2)nn1 1030719015 UCZMXJGYTJXXPL-UHFFFAOYSA-N 348.367 -0.517 5 20 EBBD CN(C)CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1044251571 NEZLVENSDADXGL-VXGBXAGGSA-N 342.396 -0.927 5 20 EBBD O=C(Cn1cnnn1)N[C@H]1[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 1060384626 SYXBFJXFVAHJHU-WOFXILAISA-N 347.310 -0.029 5 20 EBBD Cc1cnc(NCCNC(=O)CCNS(C)(=O)=O)c([N+](=O)[O-])c1 1094187745 LTVOEPURDLITRM-UHFFFAOYSA-N 345.381 -0.234 5 20 EBBD COCCCOCC(=O)N(C)CCNc1ncc([N+](=O)[O-])c(N)n1 1101763438 IDKNCCUNVZRNGH-UHFFFAOYSA-N 342.356 -0.110 5 20 EBBD Cn1ncc(CCC(=O)NCCNCc2c([N+](=O)[O-])ncn2C)n1 1133914692 PBKDTEUNGRHYMS-UHFFFAOYSA-N 336.356 -0.705 5 20 EBBD CCONC(=O)CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C 1326999587 UEWFDRSRIMWNPD-UHFFFAOYSA-N 338.320 -0.297 5 20 EBBD C[C@H]1CN(C(=O)COC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCO1 1334936240 LKNOWNDRHSJHMK-JTQLQIEISA-N 339.304 -0.453 5 20 EBBD CC(C)(C(=O)O)C(=O)COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1589583460 TVTVAYCDFWZBGH-UHFFFAOYSA-N 326.261 -0.020 5 20 EBBD O=C(Cn1cc(C(=O)O)cc([N+](=O)[O-])c1=O)NC[C@H]1CCCO1 1608374768 GDKZPYHNAUONAZ-SECBINFHSA-N 325.277 -0.250 5 20 EBBD CCc1nocc1CN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1755331048 BIRRUEMUXLVPGL-DGCLKSJQSA-N 338.364 -0.045 5 20 EBBD NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 51164111 XNOCPBGDHXHQTJ-LLVKDONJSA-N 329.334 -0.389 5 20 EBBD O=C1NC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCN2C1=O 267518903 WMQFWBQTPIYERX-MRVPVSSYSA-N 325.712 -0.210 5 20 EBBD Cc1c(C(=O)N2CCN[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 269202778 KVBCEARALQYMRZ-MRVPVSSYSA-N 342.377 -0.015 5 20 EBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](O)C[C@H]1CO 270678625 UEEYARDWUJXLQV-QWRGUYRKSA-N 325.321 -0.031 5 20 EBBD Cn1nnnc1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 276274641 AYOUGPSEZITWKN-UHFFFAOYSA-N 347.335 -0.115 5 20 EBBD CC(C)NS(=O)(=O)NCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] 277202345 PVPKOCYMTUIOFQ-UHFFFAOYSA-N 345.381 -0.062 5 20 EBBD COC(=O)CCNC(=O)Cn1cc(C(=O)OC)cc([N+](=O)[O-])c1=O 298370350 BDNJOJWDQUNDFG-UHFFFAOYSA-N 341.276 -0.778 5 20 EBBD NC(=O)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Br 341731964 PTYYUVUEMNIOJP-MRVPVSSYSA-N 332.110 -0.067 5 20 EBBD NS(=O)(=O)c1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 344938916 BLSIRIXGKUKFPL-UHFFFAOYSA-N 339.333 -0.131 5 20 EBBD C[C@@H](NC(=O)C(=O)N1CCO[C@H](CN)C1)c1cccc([N+](=O)[O-])c1 418764432 AJKJCAULZPCLCF-ZWNOBZJWSA-N 336.348 -0.042 5 20 EBBD CN1CCC(O)(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 426973574 KVEUMMWJLUFRRI-UHFFFAOYSA-N 326.357 -0.453 5 20 EBBD COCCO[C@@H]1C[C@H](CO)CN(c2ncc([N+](=O)[O-])c(N)n2)C1 447688997 IUYMXHXGRHFAEY-VHSXEESVSA-N 327.341 -0.183 5 20 EBBD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])CC(=O)N1 573729302 DYFOOFFCNKXTSM-SSDOTTSWSA-N 343.317 -0.198 5 20 EBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 592909570 JWDDHVCEWFTZKL-ONGXEEELSA-N 326.309 -0.436 5 20 EBBD CNS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)noc1=O 598709579 JMZQMFORDUTMDR-UHFFFAOYSA-N 328.306 -0.039 5 20 EBBD O=C(N[C@@H]1CCNC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 599966648 RCZFLJSRTZVYSI-LLVKDONJSA-N 348.363 -0.884 5 20 EBBD Cn1c(COC(=O)c2cccc([N+](=O)[O-])c2N)cc(=O)n(C)c1=O 758962842 AUYMOIADXZOSEU-UHFFFAOYSA-N 334.288 -0.069 5 20 EBBD NC(=O)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 765210156 YGBCPLPQWQWRBH-UHFFFAOYSA-N 334.285 -0.403 5 20 EBBD O=C(COC(=O)[C@H]1CCS(=O)(=O)N1)Nc1cccc([N+](=O)[O-])c1 845369523 ODOAMRDENAPYGY-SNVBAGLBSA-N 343.317 -0.232 5 20 EBBD O=C(CN1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccon1 981138494 WBTOOZCQANRDNS-GHMZBOCLSA-N 337.336 -0.187 5 20 EBBD CN(C)c1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1001809671 ZPBITWIKTZSGDF-ZYHUDNBSSA-N 348.363 -0.604 5 20 EBBD CC(C)(C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)S(C)(=O)=O 1011115582 LQNNRLKIXMAQSO-NXEZZACHSA-N 347.393 -0.854 5 20 EBBD CN(C(=O)c1cnn[nH]1)C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 1058095994 GHOKRTVWDSHGGT-UHFFFAOYSA-N 347.339 -0.174 5 20 EBBD Cc1c(CNC(=O)C(=O)N(C)[C@@H]2CCNC2=O)cccc1[N+](=O)[O-] 1117523296 RLFNZGYIRKWISB-GFCCVEGCSA-N 334.332 -0.134 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccc(=O)n(C)n1 1175409914 ZGBXMDIKGMCDSK-UHFFFAOYSA-N 349.351 -0.668 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC(OCCO)CC1 1319617250 PISUDEKSIOSLAP-UHFFFAOYSA-N 325.321 -0.244 5 20 EBBD C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CN(C)CCN1C 1353316899 RHHXCZVLUXIBHG-YUTCNCBUSA-N 326.401 -0.624 5 20 EBBD CN(CCOCCNC(=O)C(=O)C(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1756371269 VCRFEAKYSDLAGK-GHMZBOCLSA-N 343.380 -0.142 5 20 EBBD CNS(=O)(=O)c1ccc(N2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 52392519 ZMVGCUZSQBVTTN-QMMMGPOBSA-N 328.350 -0.186 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](N2CCNCC2=O)C1 186646111 YZBMQLOLCCYEHE-NSHDSACASA-N 336.352 -0.786 5 20 EBBD C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)CN1CCOCC1 265714764 IPPCJGDHFVHQCK-LBPRGKRZSA-N 338.364 -0.159 5 20 EBBD Cn1cc(N2CC[C@H](NC(=O)c3cnc(O)c([N+](=O)[O-])c3)C2=O)cn1 274986378 YOELDHFZPNAUEY-JTQLQIEISA-N 346.303 -0.036 5 20 EBBD CN(CCO)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 297499645 LHDJAMVBWADSLU-UHFFFAOYSA-N 336.348 -0.306 5 20 EBBD CCOC(=O)C(NC(=O)Cn1cc([N+](=O)[O-])nc1C)C(=O)OCC 299350240 NIHYALOQIBHLIN-UHFFFAOYSA-N 342.308 -0.289 5 20 EBBD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)O1 342111955 ZKYZDFNABRAPLF-VXGBXAGGSA-N 339.352 -0.067 5 20 EBBD NC(=O)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 362604042 XXZSZZVVXQKRCC-UHFFFAOYSA-N 344.349 -0.745 5 20 EBBD N[C@@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 424131063 UPGNBIUYQVWSFQ-DTWKUNHWSA-N 328.350 -0.664 5 20 EBBD COC(=O)CCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1=O 534308165 SKCJCGGRLJBOLM-JTQLQIEISA-N 338.320 -0.173 5 20 EBBD CNc1nccc(C(=O)N2CCO[C@H](CNC(C)=O)C2)c1[N+](=O)[O-] 583272591 PVETVMPZHOLSLR-SNVBAGLBSA-N 337.336 0.009 5 20 EBBD CCn1cc(S(=O)(=O)N2CCO[C@H]([C@H](C)N)C2)c([N+](=O)[O-])n1 592374287 KESOQTQPBJTWDD-IUCAKERBSA-N 333.370 -0.452 5 20 EBBD CC(=O)NCC(=O)N1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 599619940 YDIXJOWURWKMIP-UHFFFAOYSA-N 338.368 -0.538 5 20 EBBD CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] 600355625 ICBWFSWEZXAINK-HTQZYQBOSA-N 331.354 -0.092 5 20 EBBD COc1ccc([N+](=O)[O-])c(C(=O)NS(=O)(=O)N2CCOCC2)c1 750730430 XYLIPTHUBAMRLK-UHFFFAOYSA-N 345.333 -0.090 5 20 EBBD CNC(=O)CCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1062831573 LGDGHUJNKDNBDY-GHMZBOCLSA-N 340.380 -0.277 5 20 EBBD O=C(NCCNc1ccnc(O)c1[N+](=O)[O-])c1nc2ncccn2n1 1093815012 MBUOYBSWHWSJFZ-UHFFFAOYSA-N 344.291 -0.025 5 20 EBBD NS(=O)(=O)CCCC(=O)NCCNc1ncc([N+](=O)[O-])cc1F 1094078097 JUUSIMYPHBASQK-UHFFFAOYSA-N 349.344 -0.274 5 20 EBBD CCN(CCNC(=O)c1cn(CC)nn1)c1ncc([N+](=O)[O-])c(N)n1 1100595560 AMMJCDZPCNZWTP-UHFFFAOYSA-N 349.355 -0.165 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)CCCCC(N)=O 1147118831 DLHPPMHNYKTTSO-UHFFFAOYSA-N 326.357 -0.420 5 20 EBBD CNS(=O)(=O)CC(=O)NCCCNCc1ccc([N+](=O)[O-])cc1 1176336535 OYXJAIZUFMGXIF-UHFFFAOYSA-N 344.393 -0.260 5 20 EBBD CCS(=O)(=O)NCCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C 1318178187 ATEVJCBPDXFNLY-UHFFFAOYSA-N 333.370 -0.304 5 20 EBBD NC(=O)C[C@H]1CN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CCO1 1592726003 NOIDLDCOGMKSBM-VIFPVBQESA-N 333.308 -0.145 5 20 EBBD CN1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)CC1=O 1598569150 HNHFYGPUVMUDBU-ZETCQYMHSA-N 343.317 -0.198 5 20 EBBD COC(=O)[C@@H](C)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 268455112 NRPJVYICSIUPID-SSDOTTSWSA-N 335.272 -0.132 5 20 EBBD CNC(=O)NCC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 294370501 BWKQXCUMVBIOQH-UHFFFAOYSA-N 349.347 -0.192 5 20 EBBD O=C(NCCN1CCCS1(=O)=O)c1cc([N+](=O)[O-])cnc1O 299429741 OEPCNVOBKHLANV-UHFFFAOYSA-N 330.322 -0.539 5 20 EBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCO[C@H](C(N)=O)C1 299490754 LZLAGJPAJWMSFM-LBPRGKRZSA-N 338.320 -0.001 5 20 EBBD COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](S(N)(=O)=O)C2)n1 342144144 YSQOYONYBKJPJW-ZETCQYMHSA-N 330.322 -0.356 5 20 EBBD COC(=O)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1 343486027 QJGXHCMYRNFQGI-SNVBAGLBSA-N 325.277 -0.843 5 20 EBBD CNC(=O)Cn1nc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)cc1C 348746456 GSYQJBUURUYSEK-UHFFFAOYSA-N 349.351 0.379 5 20 EBBD CCOC(=O)[C@H](CO)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 355750711 LFHSLZOJLZTHDP-JTQLQIEISA-N 328.325 -0.162 5 20 EBBD O=C(NCCn1ncnn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 359371832 FHSHTCGZKNDSHY-UHFFFAOYSA-N 339.699 -0.010 5 20 EBBD NS(=O)(=O)[C@@H]1CCCN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])C1 371888137 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O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(N(CCO)Cc2cnon2)CC1 1098365084 JPINZCBRPFHJBS-CHWSQXEVSA-N 339.352 -0.480 5 20 EBBD COCCN(C(=O)Cn1cnc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1115828925 LAYCEBPSCUMBFN-JTQLQIEISA-N 346.365 -0.547 5 20 EBBD O=C(NC[C@H]1COCCN1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1118929808 KHHKAJBBPFCRFU-LBPRGKRZSA-N 334.332 -0.458 5 20 EBBD COC(=O)C[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCO1 1591263883 IFONWBUMIQEMQJ-VIFPVBQESA-N 349.307 -0.062 5 20 EBBD NS(=O)(=O)C1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 1592746735 CYWYJWLCEFPCQI-UHFFFAOYSA-N 325.310 -0.748 5 20 EBBD O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 1594961939 OSQSOTVETPQUNR-SECBINFHSA-N 329.290 -0.686 5 20 EBBD C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 261877710 RIZKOCYPIIUELT-SNVBAGLBSA-N 342.377 -0.225 5 20 EBBD NCCCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 262438429 MRQCENWSBMZVSK-UHFFFAOYSA-N 330.366 -0.272 5 20 EBBD COCCNC(=O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 298589072 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COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 600342342 OGYWEDWAZKGCAT-CBAPKCEASA-N 340.292 -0.115 5 20 EBBD CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 602905343 NEBFYBKNNOGPDU-CHWSQXEVSA-N 325.365 -0.057 5 20 EBBD COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 737572286 ARPMQBQHEQJKSI-ZCFIWIBFSA-N 333.278 -0.716 5 20 EBBD CN(C)CCN(CC(=O)O)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 739606984 PGVBUPXIGLLONA-UHFFFAOYSA-N 326.309 -0.769 5 20 EBBD COCCNS(=O)(=O)c1c[nH]c(C(=O)OC[C@@H](C)[N+](=O)[O-])c1 813105622 QRMLXDGMJJQWMO-MRVPVSSYSA-N 335.338 -0.239 5 20 EBBD COc1cncc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 946741194 NEZQAUYOIUDFNB-ZYHUDNBSSA-N 349.347 -0.129 5 20 EBBD Cc1c(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)cnn1C 976171391 HCCRGWTUCPASCO-ZMHPAJMFSA-N 333.348 -0.420 5 20 EBBD Cn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc1O 979244303 GALHUVFAQZWGRT-PKIKSRDPSA-N 337.336 -0.585 5 20 EBBD Cn1ccc(=O)c(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 979758025 RTAFJYAYNTWRRI-PRULPYPASA-N 348.359 -0.325 5 20 EBBD O=C(Cn1cc(C2CC2)nn1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011115721 SETLLDJJBWSSOU-DGCLKSJQSA-N 348.363 -0.509 5 20 EBBD Cc1nn(C)cc1CC(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1030454598 JYBWGJNWAVYMSQ-UHFFFAOYSA-N 347.379 -0.087 5 20 EBBD O=C(NCCN(CCO)C(=O)C1(F)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1057899896 CPKDFTFEFHFUQG-GHMZBOCLSA-N 347.343 -0.893 5 20 EBBD CC(C)N(C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 1093157455 GJGKOZSCBYDRQF-UHFFFAOYSA-N 337.384 -0.044 5 20 EBBD O=C(CN1CC(=O)NC1=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 1107287933 DTKULNWSICSHKR-UPHRSURJSA-N 348.319 -0.374 5 20 EBBD CCOC(=O)[C@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1118196979 KWGLADRYWYZYIL-LLVKDONJSA-N 338.320 -0.880 5 20 EBBD C[C@@]1(C(=O)O)CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCO1 1776508443 YTRQEUAGTOVQMK-LBPRGKRZSA-N 345.333 -0.078 5 20 EBBD Nc1nc(N2CCN(CC(=O)N3CCCC3)CC2)ncc1[N+](=O)[O-] 247635529 DMCLFRPAABIHPO-UHFFFAOYSA-N 335.368 -0.289 5 20 EBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1O 272338278 HHWHOKDFQAKQBM-JTQLQIEISA-N 337.288 -0.196 5 20 EBBD O=C(NC[C@H](O)CO)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 275796308 YXFZOLVOHWNGIP-ZETCQYMHSA-N 349.246 -0.396 5 20 EBBD NS(=O)(=O)CCOCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 288126189 DJOUZMMLOLYOEL-UHFFFAOYSA-N 333.322 -0.665 5 20 EBBD COC(=O)[C@H](O)CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 345290210 FVXNFFNXOXIVAX-SECBINFHSA-N 328.277 -0.124 5 20 EBBD CNC(=O)[C@H](C)NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 346841712 AQQASURQRQYMPN-ZETCQYMHSA-N 344.349 -0.585 5 20 EBBD NC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 351576333 MMJQFHSUVPKKHY-QMMMGPOBSA-N 339.283 -0.058 5 20 EBBD CN(C)C(=O)NCCN(C)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] 353289860 FHYDQXYTBBKQQX-UHFFFAOYSA-N 345.381 -0.050 5 20 EBBD CN1CC[C@@](O)(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 358419144 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NC(=O)[C@@H]1CN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CCO1 794622606 DNHUWKIUOHQEDT-NSHDSACASA-N 349.303 -0.445 5 20 EBBD Cc1cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)cc(C(=O)O)c1[N+](=O)[O-] 832891059 JGWKRPGZKVYWSN-JTQLQIEISA-N 348.315 -0.252 5 20 EBBD Cn1nc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccc1=O 941012884 QYLZRXFXCFIZIN-ZYHUDNBSSA-N 349.347 -0.880 5 20 EBBD O=C(c1cnon1)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 945018706 JPWAGUCILQQNJO-MWLCHTKSSA-N 335.320 -0.201 5 20 EBBD CCn1nncc1C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 946663539 UHRMAGAHDMQMBS-GHMZBOCLSA-N 336.352 -0.316 5 20 EBBD O=C(N[C@H]1[C@@H]2CN(C(=O)c3ccc(O)nc3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 976496485 UMWBEKYXSHXXEU-HMUNZLOLSA-N 332.316 -0.361 5 20 EBBD CN(Cc1c([N+](=O)[O-])ncn1C)C1CCN(C(=O)CC(N)=O)CC1 985341768 GTVXLOXRAZXSOT-UHFFFAOYSA-N 338.368 -0.374 5 20 EBBD O=C(NCC1=CCN(C(=O)Cc2cncnc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1017440595 KURMOQSOMKINPS-ZIAGYGMSSA-N 345.359 -0.041 5 20 EBBD 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C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839693096 RZCRYIRKTXCNKM-ISUQUUIWSA-N 326.309 -0.624 5 20 EBBD CC(=O)N[C@@H](C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C 860860124 ANPAVVBUALWJGD-LLVKDONJSA-N 344.349 -0.045 5 20 EBBD O=C(NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] 959731995 PXKNJZUVDISXPF-UYNYGYNWSA-N 348.363 -0.031 5 20 EBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2c(C)ncnc2O)C1 967946195 KPIWKBZGWTXCIF-GHMZBOCLSA-N 349.347 -0.171 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 1020521122 CMAMDTMEHFBULO-KYZUINATSA-N 347.335 -0.538 5 20 EBBD O=C(NCC1(O)CN(C(=O)C2=COCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042975041 ICMQFCCUZPZMAI-GHMZBOCLSA-N 325.321 -0.965 5 20 EBBD O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1)c1ccon1 1070013192 IKWDCTZQGFIHDN-MWLCHTKSSA-N 338.320 -0.265 5 20 EBBD NC(=O)C(=O)NCc1nc(O)cc(CNc2ccc([N+](=O)[O-])cc2)n1 1091715601 FAUQAYDAJQCQBQ-UHFFFAOYSA-N 346.303 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EBBD O=C(O)c1cn([C@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)nn1 582847572 WJDICZHPAMIPTN-VIFPVBQESA-N 349.307 -0.055 5 20 EBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CO)CN(C)C 588864396 HAIBDLDDCDEURW-CMPLNLGQSA-N 338.364 -0.248 5 20 EBBD CNc1nccc(C(=O)N[C@H](CC(=O)OC)C(=O)OC)c1[N+](=O)[O-] 594222482 WPKTXFHVHMHPGX-MRVPVSSYSA-N 340.292 -0.134 5 20 EBBD O=C(Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)N1CCOCC1 750732317 ZWVKFYRWJCVGCF-UHFFFAOYSA-N 329.334 -0.170 5 20 EBBD Cc1c(C(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)cnn1C 976479843 BROWAQNZEGLRQS-ZMHPAJMFSA-N 333.348 -0.420 5 20 EBBD O=C(CCc1ccncc1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1043799093 ZXVUWQXENZCAGL-CHWSQXEVSA-N 348.359 -0.631 5 20 EBBD Cn1nncc1CN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1050516770 JEHIULSSPFCLPQ-CHWSQXEVSA-N 334.380 -0.095 5 20 EBBD O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1cnnc(O)c1 1063377481 IDZRHRQMTNAZLC-NXEZZACHSA-N 335.320 -0.384 5 20 EBBD 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CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 1598539884 DEXGPKJRNXQJAK-NXEZZACHSA-N 346.317 -0.327 5 20 EBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CCC(CO)(CO)CC1 1607080865 SCVHSHKUUUWAAK-UHFFFAOYSA-N 335.324 -0.259 5 20 EBBD Cc1nc(CCN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 1754766952 CYOPQDUTUWEZBB-VXGBXAGGSA-N 340.405 -0.178 5 20 EBBD CS(=O)(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 24779358 GUSRNMTYGKAEFC-UHFFFAOYSA-N 344.349 -0.609 5 20 EBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](O)CO 275858911 TUVXYAYNYYNGMX-VIFPVBQESA-N 335.338 -0.458 5 20 EBBD O=C1NC[C@@H]2CN(c3c([N+](=O)[O-])ccc4c3CCN4)CCN2C1=O 276503925 RVLNUBVMHGAQLP-SECBINFHSA-N 331.332 -0.290 5 20 EBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCOCCO 298298566 DMACDFQKNTXPJO-SNVBAGLBSA-N 325.321 -0.162 5 20 EBBD COCCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 298886707 RZONQRGXFIYPMR-UHFFFAOYSA-N 339.352 -0.557 5 20 EBBD Cn1nc([N+](=O)[O-])cc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 356427854 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CCc1nc[nH]c1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 976976328 ZIPRRYAPMLNIRI-VZSYODPGSA-N 333.348 -0.176 5 20 EBBD O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1noc2c1COCC2 992546041 GZZOYGAKYKMMGY-PSASIEDQSA-N 336.304 -0.647 5 20 EBBD Cc1ncnc(O)c1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1003762415 HXKPZRLRRADWGM-NXEZZACHSA-N 335.320 -0.656 5 20 EBBD CC(C)(C)n1nnc(CCN2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1030294171 ZKHPHMYRIWCOOY-GHMZBOCLSA-N 337.384 -0.564 5 20 EBBD CCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)CC(N)=O)CC1 1069265702 SUPCBMIHECOLPF-NXEZZACHSA-N 326.353 -0.586 5 20 EBBD CN(CCNc1ccnc(O)c1[N+](=O)[O-])C(=O)CS(C)(=O)=O 1101523524 AVNOELAWVYCOML-UHFFFAOYSA-N 332.338 -0.390 5 20 EBBD CS(=O)(=O)CC(=O)N(CCO)CCNc1ccc([N+](=O)[O-])cc1 1111438853 CRCDPZFRTRMDGU-UHFFFAOYSA-N 345.377 -0.128 5 20 EBBD CN1CCCN(CCCNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1120574079 JVNRXRAGWAIGES-HNNXBMFYSA-N 340.428 -0.231 5 20 EBBD 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CN(CC(=O)NN1CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-] 862735199 YSFWWOHSYBGHNM-UHFFFAOYSA-N 342.377 -0.207 5 20 EBBD COCCN(CCC(=O)O)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 863407787 GVTQCBMDTBDEHJ-UHFFFAOYSA-N 336.326 -0.560 5 20 EBBD CN1CCC(OCC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 991294971 WLCCYNORTYOTSY-CHWSQXEVSA-N 340.380 -0.911 5 20 EBBD Cc1ccnn1CC(=O)N1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1019014099 UHUZVYUUSXMPIT-CHWSQXEVSA-N 347.375 -0.082 5 20 EBBD O=C(NCC1(O)CN(C(=O)c2ccc(F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042973974 CICHVDHUTDAJRE-VXGBXAGGSA-N 337.307 -0.206 5 20 EBBD Cc1ncc(C(=O)N[C@H]2[C@@H]3CN(c4ncc([N+](=O)[O-])c(N)n4)C[C@@H]32)[nH]1 1060392930 MDRVYNKLBOONES-VROVMSAKSA-N 344.335 -0.137 5 20 EBBD Cc1ccc(=O)n(CC(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)n1 1093771138 ZAHSMPFCFJWKPF-UHFFFAOYSA-N 348.323 -0.940 5 20 EBBD CS(=O)(=O)CCCNCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1205230353 OHEMPFFXICVQBM-CHWSQXEVSA-N 347.437 -0.086 5 20 EBBD 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CC(=O)NCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 343011245 YUTDDZWEGVWOEW-UHFFFAOYSA-N 345.333 -0.220 5 20 EBBD COC(=O)c1cn(C2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)nn1 354482893 ILGXVEKUNODFIG-UHFFFAOYSA-N 349.307 -0.357 5 20 EBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)[C@@H](C)O 412427659 PEGFKVBUJHAPHT-KXUCPTDWSA-N 329.357 -0.315 5 20 EBBD O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)C2COC2)CC1 416496701 QTQMYADWPZYMLW-UHFFFAOYSA-N 328.350 -0.160 5 20 EBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NCCN1CCCOCC1 515287145 GNHRKGWIYPBMGN-UHFFFAOYSA-N 330.366 -0.010 5 20 EBBD CNS(=O)(=O)c1ccc(N2CCC(O)(CO)CC2)c([N+](=O)[O-])c1 596468412 FXXGDGMABCTKRY-UHFFFAOYSA-N 345.377 -0.174 5 20 EBBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1C[C@H](O)[C@@H](O)C1 600217161 QEUSDVWNQAZZKY-GUBZILKMSA-N 339.304 -0.644 5 20 EBBD CNC(=O)NC[C@@H]1CN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CCO1 600229700 MAMJUVREBDQLNT-SECBINFHSA-N 339.308 -0.535 5 20 EBBD O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCN1CC[C@@H](O)C1 600756202 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333.304 -0.028 5 20 EBBD CCN1C(=O)[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CCN2C1=O 371291346 IZNMIEOLEKBKFH-GFCCVEGCSA-N 349.347 -0.275 5 20 EBBD O=C(O)Cn1cc(CNC(=O)CNc2ccccc2[N+](=O)[O-])nn1 439712450 FFNBXWCFMQXOEJ-UHFFFAOYSA-N 334.292 -0.001 5 20 EBBD CCn1cc(S(=O)(=O)N[C@H](C(=O)OC)[C@@H](C)O)c([N+](=O)[O-])n1 444200302 SVYMFHOUCMNRNO-SVRRBLITSA-N 336.326 -0.988 5 20 EBBD CN1CCCN(CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 589565538 FBHILHNEWZAWLG-UHFFFAOYSA-N 336.396 0.528 5 20 EBBD NC(=O)CCOC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 759535142 IZEOXMLBSPBRFO-UHFFFAOYSA-N 345.333 -0.318 5 20 EBBD Cn1cnn(CC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1=O 779127830 HCDBZFGHEDLHDC-UHFFFAOYSA-N 335.276 -0.328 5 20 EBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NOCCO 787291477 APYVJSRVYGUUHT-UHFFFAOYSA-N 333.322 -0.697 5 20 EBBD Cc1cc(C(=O)NCCC(=O)NS(C)(=O)=O)c(N)c([N+](=O)[O-])c1 788176040 GMWGQPONBZYDCM-UHFFFAOYSA-N 344.349 -0.319 5 20 EBBD CC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 808310513 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O=C(c1cccnc1)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 965376389 PZVQQQJXBXXRQY-CHWSQXEVSA-N 346.343 -0.200 5 20 EBBD O=C(c1cccn2nnnc12)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011114949 NUMXDHUGAZYIQL-GHMZBOCLSA-N 345.319 -0.926 5 20 EBBD O=C(N[C@H]1C[C@@H](NCc2nnc3n2CCOC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1022063736 KJVLKZUKTZSDAV-LMLFDSFASA-N 336.352 -0.790 5 20 EBBD COC1(CC(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 1042798344 YYJYPWFFSSTBLB-GHMZBOCLSA-N 341.364 -0.700 5 20 EBBD Cn1ccc(=O)c(C(=O)NCCCNc2ncc([N+](=O)[O-])c(N)n2)c1 1094895716 XOIIGPUSSOQNBW-UHFFFAOYSA-N 347.335 -0.102 5 20 EBBD COC[C@](C)(CC(=O)OC)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1116343109 XGNYNSNNPMADLT-AWEZNQCLSA-N 341.320 -0.159 5 20 EBBD Cc1nccn1CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1117597774 LCVJSLKIGDQQIR-UHFFFAOYSA-N 335.324 -0.771 5 20 EBBD CCCC(=O)NCC(=O)NCCNCc1c([N+](=O)[O-])ncn1C 1124350413 HANMGOYXIMUXHB-UHFFFAOYSA-N 326.357 -0.550 5 20 EBBD NC(=O)c1ncn(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 1127648139 GROKULGHOPJXJY-UHFFFAOYSA-N 347.335 -0.809 5 20 EBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CCN(c2nc[nH]n2)CC1 1593469725 DMYQRLCZBHJPFV-UHFFFAOYSA-N 343.311 -0.385 5 20 EBBD CN(C)CCN1CCN(c2nccc(C(=O)O)c2[N+](=O)[O-])CC1=O 1606027780 ZTCOPHWFPLRSNV-UHFFFAOYSA-N 337.336 -0.102 5 20 EBBD O=C(O)[C@H]1C[C@@H](O)CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1608604973 OLEGLUHRBYPTTQ-WCBMZHEXSA-N 327.297 -0.732 5 20 EBBD C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1S(C)(=O)=O 271994315 FTFDFAMPUAQWFY-CMPLNLGQSA-N 347.397 -0.882 5 20 EBBD CN(C)C(=O)NCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O 276971823 FSFNLMGELDSWSH-UHFFFAOYSA-N 331.354 -0.075 5 20 EBBD COc1cc(S(=O)(=O)N2CC[C@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 286512336 RZKBKUBRYZHTOL-GFCCVEGCSA-N 345.333 -0.786 5 20 EBBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CCO)CC1 298212497 XCUATBVUJPXIKQ-UHFFFAOYSA-N 330.366 -0.644 5 20 EBBD Cn1cc(NC(=O)C(=O)NCCNc2ccccc2[N+](=O)[O-])nn1 339845064 HXUXIYVFWNROAU-UHFFFAOYSA-N 333.308 -0.110 5 20 EBBD CC(=O)NCC(=O)NCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 340346133 QCMVUDIODWNMHR-UHFFFAOYSA-N 334.292 -0.338 5 20 EBBD CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 362567965 IOUCKFSPVJFWIN-BDAKNGLRSA-N 346.369 -0.980 5 20 EBBD C[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 362590076 ITIPEDFGJJCRGN-QMMMGPOBSA-N 345.333 -0.148 5 20 EBBD CN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 388108475 YPIIXQPOVAHMAD-ZDUSSCGKSA-N 328.394 -0.001 5 20 EBBD COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] 416460200 VYUMXZRDNNBAPG-ZETCQYMHSA-N 343.317 -0.452 5 20 EBBD CNC(=O)[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCO1 542864644 HMIHTVURZJNQIS-SNVBAGLBSA-N 344.349 -0.807 5 20 EBBD CC(C)NS(=O)(=O)NCCNc1nccc(C(=O)O)c1[N+](=O)[O-] 575319967 JGAAQXQNJBBVFE-UHFFFAOYSA-N 347.353 -0.068 5 20 EBBD COc1ccc(CNC(=O)[C@H]2CCS(=O)(=O)N2)cc1[N+](=O)[O-] 593415122 VFVNQWKLSGHIHH-SECBINFHSA-N 329.334 -0.089 5 20 EBBD Cn1cc([C@H](CO)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)cn1 593569213 YNEXEGSMFYDFMU-JTQLQIEISA-N 327.322 -0.265 5 20 EBBD O=C(N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1(n2cnnn2)CC1 597752385 AMQGQZNUPJMNCM-UHFFFAOYSA-N 344.335 -0.186 5 20 EBBD CCNC(=O)NC(=O)COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 726663380 DBYMMUVENIPLGC-UHFFFAOYSA-N 327.297 -0.085 5 20 EBBD CNC(=O)[C@@H](O)CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] 808048393 SBCZIQWURSNROP-AWEZNQCLSA-N 338.364 -0.054 5 20 EBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N 855473583 NZZSWTOFSCABCD-RKDXNWHRSA-N 330.322 -0.886 5 20 EBBD O=C(c1cccnn1)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 965373792 BPYOVAFLYMVPLB-ZYHUDNBSSA-N 347.331 -0.805 5 20 EBBD Cc1nnccc1C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 976479718 AQSVMGBGHPCKJQ-LBELIVKGSA-N 331.332 -0.363 5 20 EBBD Cn1cnc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O 978796387 TXPZOJOHMYMCPH-DTHBNOIPSA-N 349.347 -0.930 5 20 EBBD NC(=O)CC(=O)N1[C@H]2CC[C@H]1CN(c1ncc([N+](=O)[O-])c(N)n1)C2 1058739085 FPZQLHAWWHHPDV-YUMQZZPRSA-N 335.324 -0.978 5 20 EBBD Cc1ccnc(N2C[C@H]3[C@H](NC(=O)CCNC(N)=O)[C@H]3C2)c1[N+](=O)[O-] 1097566004 YLUFOUKDWXZNPB-IAZYJMLFSA-N 348.363 -0.093 5 20 EBBD CC1(CNC(=O)C(N)=O)CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 1110893128 ZESLQSKDOIAVTI-UHFFFAOYSA-N 337.340 -0.825 5 20 EBBD Cn1nnc(C(=O)NCC2(Nc3ccnc(O)c3[N+](=O)[O-])CCC2)n1 1111886976 AVWKDGGNDFEUOC-UHFFFAOYSA-N 348.323 -0.017 5 20 EBBD CCO[C@H]1C[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1325645633 IBKQVIIZHZSWOO-JGZJWPJOSA-N 325.325 -0.409 5 20 EBBD O=C(Cc1ccc(-c2nn[nH]n2)nc1)OCCn1cnc([N+](=O)[O-])n1 1592914681 GXVVFRHFKFGZFG-UHFFFAOYSA-N 345.279 -0.453 5 20 EBBD O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccnc(-c2nn[nH]n2)c1 1592937837 QAVMFDCQLHZINW-UHFFFAOYSA-N 329.280 -0.317 5 20 EBBD COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1C(=O)O 1598817775 OBJIJICSLPJKJK-RKDXNWHRSA-N 325.277 -0.121 5 20 EBBD O=C1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1 264799838 YTMCIMJLPSWPJL-UHFFFAOYSA-N 347.331 -0.205 5 20 EBBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCOCC(N)=O)cc1C 268544940 LUVYKWMRGYYKRI-UHFFFAOYSA-N 331.350 -0.008 5 20 EBBD NC(=O)CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273474113 OZOBPBUHEPKETM-UHFFFAOYSA-N 344.349 -0.457 5 20 EBBD COC(=O)[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H](C)O 274568781 LTZWPTQYXDQOOU-PRHODGIISA-N 349.303 -0.172 5 20 EBBD O=C(O)CNC(=O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 274932624 PGCYGQNXRZGFCN-UHFFFAOYSA-N 331.306 -0.785 5 20 EBBD CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])[nH]n2)CC1 285286238 CESYKDIODWKQHR-SNVBAGLBSA-N 338.368 -0.010 5 20 EBBD CCOC(=O)[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 325658620 JKJVEIKLMZDBSC-LBPRGKRZSA-N 337.336 -0.471 5 20 EBBD Cn1cc([N+](=O)[O-])c(-c2nc(-c3cn(C)c(=O)n(C)c3=O)no2)n1 350879048 JMCLEMXIURTEKX-UHFFFAOYSA-N 333.264 -0.557 5 20 EBBD CN(C[C@H](O)CO)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 353957707 BWRVJBUJPOPROB-LBPRGKRZSA-N 340.336 -0.794 5 20 EBBD C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])cnc1O)CN1CCOCC1 359815875 JZMTVIWSGLAHGP-AWEZNQCLSA-N 340.336 -0.492 5 20 EBBD CNC(=O)[C@H](CCSC)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 360825968 RAALYKIVTYHKSS-JTQLQIEISA-N 342.377 -0.260 5 20 EBBD NC(=O)c1cn(C2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)nn1 378548520 CXQHRXSMVQWLIU-UHFFFAOYSA-N 346.303 -0.253 5 20 EBBD O=C(O)CCN(C[C@@H]1CCCO1)C(=O)Cn1cnc([N+](=O)[O-])n1 532598780 HMKGVPNLUDGCTJ-VIFPVBQESA-N 327.297 -0.331 5 20 EBBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[C@@H](CO)[C@H](O)C1 545282164 NSMVELMCSGJVDP-IINYFYTJSA-N 347.331 -0.009 5 20 EBBD COc1ccc(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] 584183562 NGWRCNPUXHDTLR-NWDGAFQWSA-N 348.359 -0.084 5 20 EBBD COC(=O)[C@H](C)N(C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 600317867 AIPCGTJDEQPONX-ZETCQYMHSA-N 345.333 -0.124 5 20 EBBD C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C(=O)O)[C@@H](C)O1 600660404 UQVQKVXOUSQCNK-ZXFLCMHBSA-N 348.337 -0.421 5 20 EBBD CO[C@]1(C(=O)O)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 600870578 UVTZJTYHAPDQKQ-CYBMUJFWSA-N 325.277 -0.541 5 20 EBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1nn[nH]n1 619645076 SATVOCQGXOBSRI-UHFFFAOYSA-N 335.280 -0.239 5 20 EBBD CC(C)(C(=O)OCC(=O)N1CCNC1=O)n1cc([N+](=O)[O-])cn1 726660518 CCXFHLNGDLZZFQ-UHFFFAOYSA-N 325.281 -0.379 5 20 EBBD O=C(O)CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 740482499 GPKVMQAGKHKITE-UHFFFAOYSA-N 339.260 -0.105 5 20 EBBD COC[C@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(N)=O 758486914 VHCRRSOKQLQIQG-VIFPVBQESA-N 331.350 -0.010 5 20 EBBD C[C@H](O)CCOC(=O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 849665649 YPRZCEJZKLLDOI-QMMMGPOBSA-N 347.349 -0.032 5 20 EBBD COc1nn(C)cc1C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 976476068 ASGGYLINMXQDML-VZSYODPGSA-N 349.347 -0.720 5 20 EBBD O=C(Cn1ncnn1)N[C@H]1[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 1025783588 PFMULZCDPSIPRJ-NHAGDIPZSA-N 343.347 -0.172 5 20 EBBD Cn1ccc(CC(=O)N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)n1 1055800422 IRBVESVYDFRXPD-UHFFFAOYSA-N 346.351 -0.408 5 20 EBBD Cc1cc(NCCNC(=O)c2nnc(O)nc2O)ncc1[N+](=O)[O-] 1094253085 CKFXAXVSILHHFW-UHFFFAOYSA-N 335.280 -0.264 5 20 EBBD CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)c1cn(C)c(=O)nc1O 1101618491 ZTBOIBHXCDCKNW-UHFFFAOYSA-N 348.319 -0.027 5 20 EBBD CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)c1cc2n(n1)CCO2 1102012119 KUHIMERSOLGPPL-UHFFFAOYSA-N 348.323 -0.260 5 20 EBBD COC(=O)c1cn([C@@H]2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)C2)nn1 1323889961 UYDCFZMUSKFTNM-MRVPVSSYSA-N 349.307 -0.206 5 20 EBBD CN1C[C@@H](NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1=O 1324461545 ILJLRLRAUHRFSA-NSHDSACASA-N 334.332 -0.400 5 20 EBBD Cn1c(-c2nc[nH]c2[N+](=O)[O-])nnc1N1CCS(=O)(=O)CC1 1345002527 XSVJVGVQPZBPCU-UHFFFAOYSA-N 327.326 -0.652 5 20 EBBD O=C(NC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1593000940 RDEPWWASSRIRHS-CHWSQXEVSA-N 343.347 -0.168 5 20 EBBD O=C1NC[C@@H](O)CC12CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C2 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COC(=O)[C@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619495011 DJBUXJLWNXVLOD-ZETCQYMHSA-N 334.306 -0.584 5 20 EBBD COCCS(=O)(=O)CCCn1cc([N+](=O)[O-])cc(C(=O)O)c1=O 737826406 UPADLGSLGZGTKH-UHFFFAOYSA-N 348.333 -0.094 5 20 EBBD CNc1ccc(S(=O)(=O)NCC(=O)OC[C@H](C)O)cc1[N+](=O)[O-] 787562051 DZJMCERAOXJRCE-QMMMGPOBSA-N 347.349 -0.161 5 20 EBBD CS(=O)(=O)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)n1 796619834 ZNALBQDHYUIUER-UHFFFAOYSA-N 328.310 -0.189 5 20 EBBD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(C)(C)[N+](=O)[O-] 851125586 FFOZNRJDKIMDDH-QMMMGPOBSA-N 334.354 -0.315 5 20 EBBD Cc1nc2nccc(C(=O)NC3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)n2n1 996388264 STSDRCLKPRRTKG-MWLCHTKSSA-N 345.319 -0.961 5 20 EBBD O=C(NCC1CN(C(=O)c2n[nH]c3c2CCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001798759 HXKHWQHBAXORCD-ZYHUDNBSSA-N 333.348 -0.248 5 20 EBBD Cc1nc(C)c(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 1057545758 OAIUPYAIDJNPJM-GHMZBOCLSA-N 339.352 -0.758 5 20 EBBD Cc1nn(CC(=O)NCCNc2ncccc2[N+](=O)[O-])c(=O)n1C 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O=C(C(=O)N1CCN(Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 77443908 FYTINPHIDRRQAT-UHFFFAOYSA-N 336.352 -0.485 5 20 EBBD Cc1ccc(NCCCNC(=O)[C@@H](CO)NC(N)=O)c([N+](=O)[O-])c1 270847437 XDPKIUVBHZKOED-LLVKDONJSA-N 339.352 -0.149 5 20 EBBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1C[C@H](O)[C@@H](O)C1 277624973 WPFAGQKUDWXFAU-UWVGGRQHSA-N 329.696 -0.249 5 20 EBBD O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccn(Cc2ccncc2)n1 354330088 HTYXUGBWZWXJPD-UHFFFAOYSA-N 328.292 0.465 5 20 EBBD Cc1ccc([C@H](C)NC(=O)C(=O)N(CCN)CCO)cc1[N+](=O)[O-] 419277969 VDANHYCYMLBXCL-NSHDSACASA-N 338.364 -0.140 5 20 EBBD CN(CC(=O)N1CCNCC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] 428212340 WKQYBJNNHUTBSK-UHFFFAOYSA-N 349.391 -0.079 5 20 EBBD O=C(O)c1cnc(NC[C@H]2CS(=O)(=O)CCO2)c([N+](=O)[O-])c1 574042790 CWTMZTBZIHEHQS-QMMMGPOBSA-N 331.306 -0.087 5 20 EBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCO)C[C@H](C)O 589237027 PSSSWNZKPNVQNQ-VIFPVBQESA-N 334.350 -0.033 5 20 EBBD CNc1nccc(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)c1[N+](=O)[O-] 594326884 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NC(=O)C1=NO[C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 795173738 GPOXMVMZIJMGGX-YFKPBYRVSA-N 334.335 -0.435 5 20 EBBD O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnsn1 979534295 ZFINGINLQCDLCG-FDDDBJFASA-N 325.350 -0.172 5 20 EBBD Cc1[nH]nc(C(=O)N2CCC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)c1O 1019013006 WLCQQDHVAPXYRA-NXEZZACHSA-N 349.347 -0.237 5 20 EBBD CCn1nncc1C(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1030280043 FJEILQZRROXDSJ-UHFFFAOYSA-N 334.340 -0.446 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)c2ccc(=O)n(C)n2)C1 1031353564 FGPHXXLKFWSKMS-UHFFFAOYSA-N 347.335 -0.964 5 20 EBBD Cn1ccc(C(=O)NCC2CN(Cc3c([N+](=O)[O-])ncn3C)C2)n1 1032187351 OEDMMFNSVHPNJF-UHFFFAOYSA-N 333.352 -0.076 5 20 EBBD O=C(Cn1nccn1)N[C@H]1[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]21 1060442378 WFPNJEJLRTYKOS-YABSGUDNSA-N 329.320 -0.168 5 20 EBBD CCOCCOCC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 1093680934 KDYODJYOVYOKHF-UHFFFAOYSA-N 328.329 -0.452 5 20 EBBD Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)N[C@@H]1CCS(=O)(=O)C1 1116747980 KALZEOVKOHTRGH-SECBINFHSA-N 329.334 -0.632 5 20 EBBD CC(C)(C)NC(=O)NCCNCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1157767868 YSMOFGXTKQKKAF-GHMZBOCLSA-N 329.401 -0.155 5 20 EBBD CC[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 1327000853 SBYZRVQQHIGXJG-CMPLNLGQSA-N 339.352 -0.067 5 20 EBBD Cn1nc2c(cc1=O)CN(C(=O)c1cc([N+](=O)[O-])cnc1N)CC2 1337831836 ZFTGJQLMLAOSQH-UHFFFAOYSA-N 330.304 -0.136 5 20 EBBD O=C(CO)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1606559641 KOUFPXVJJHRZMT-UHFFFAOYSA-N 347.335 -0.589 5 20 EBBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)NC(N)=O)C1=O 8646268 ISKIPVIBIJYMHB-ZDUSSCGKSA-N 335.276 -0.443 5 20 EBBD O=C(O)COCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 263437400 LUVNKKNKTRNFLF-UHFFFAOYSA-N 339.304 -0.068 5 20 EBBD COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 269748329 BHRBFWQTKVECRQ-KOLCDFICSA-N 330.318 -0.108 5 20 EBBD NC(=O)N[C@@H](CO)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] 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O=C(N[C@@H]1CCNC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 419887016 PVIRZKRQIFAYIK-SNVBAGLBSA-N 334.332 -0.338 5 20 EBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@H]1O 420975770 RFGZOWSCYIZJNY-CHWSQXEVSA-N 345.377 -0.435 5 20 EBBD CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](CO)O1 421938857 WOEWEKLYUBJWEG-LLVKDONJSA-N 325.321 -0.245 5 20 EBBD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 428077136 OIZIPZULAVOWDH-JGVFFNPUSA-N 341.324 -0.188 5 20 EBBD NC(=O)c1cn(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)nn1 436923664 DFORRIYYGQQROQ-UHFFFAOYSA-N 332.276 -0.312 5 20 EBBD NS(=O)(=O)C[C@@H]1CCCN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])C1 441770763 ZQFAGLYBSJGWPA-SECBINFHSA-N 343.365 -0.056 5 20 EBBD Cc1noc(CN2CCN(CCS(N)(=O)=O)CC2)c1[N+](=O)[O-] 595383122 VMVWGQPZSCPAPG-UHFFFAOYSA-N 333.370 -0.703 5 20 EBBD C[C@H]1C(=O)N(C)CCN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596200279 KCRVIQAANPEIJX-QMMMGPOBSA-N 328.350 -0.091 5 20 EBBD COC(=O)C[C@H](C)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 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5 20 EBBD Cn1nnc(C(=O)NC/C=C\CNc2ccnc(O)c2[N+](=O)[O-])n1 1107451065 KHLNPWYGRVAMPP-IHWYPQMZSA-N 334.296 -0.383 5 20 EBBD Cc1nc(NCCN(CCO)C(=O)CC(N)=O)ccc1[N+](=O)[O-] 1111441035 RLCYDEDAGRDTLZ-UHFFFAOYSA-N 325.325 -0.594 5 20 EBBD C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 1117306202 HZIXOBLRLSWEMG-NSHDSACASA-N 348.359 -0.057 5 20 EBBD CC1(C)C(=O)N[C@H]1C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1327913674 MTZZMQNXUYXICY-NSHDSACASA-N 336.352 -0.051 5 20 EBBD C[S@](=O)c1nncn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] 1334650730 QPKCRXKMPLDJQM-QHCPKHFHSA-N 339.337 -0.461 5 20 EBBD C[C@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1CO 1351177707 NGJBROIWNXRMAM-WDEREUQCSA-N 339.352 -0.616 5 20 EBBD C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CCN1CCO 1609175463 RHBYAYRIXJQIDM-VIFPVBQESA-N 348.367 -0.140 5 20 EBBD Cc1nn(CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1[N+](=O)[O-] 25486102 GLAKITUKJAIKEZ-UHFFFAOYSA-N 347.335 -0.145 5 20 EBBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(CCO)CC1 194361727 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CCOC(=O)[C@](C)(O)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 358894602 UYUGSXRDNFXXSL-CYBMUJFWSA-N 327.293 -0.813 5 20 EBBD CN1CCNC[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 420448438 DVFHUKPZBASUCQ-ZDUSSCGKSA-N 342.421 -0.040 5 20 EBBD COC(=O)[C@@H](O)C1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 446887170 OWTFDWVNWWHWPP-NSHDSACASA-N 338.320 -0.161 5 20 EBBD COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 592118341 QUVYUXOMBFXHQY-IUCAKERBSA-N 345.333 -0.466 5 20 EBBD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCNC1=O 748917845 RGIIXELIHYQETE-QMMMGPOBSA-N 338.276 -0.760 5 20 EBBD Cc1ncc(CC(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)o1 976664710 QUSCNUJBOIAMCP-DIACKHNESA-N 334.332 -0.236 5 20 EBBD COc1ccnc(O)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991295694 IOSNHJXPCHYEGM-RKDXNWHRSA-N 336.304 -0.598 5 20 EBBD Cc1ccn2ncc(C(=O)N3CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)c2n1 991299455 VYPOQQMJSKJRGE-ZYHUDNBSSA-N 344.331 -0.356 5 20 EBBD O=C(NCC1CN(C(=O)COc2cccnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001804282 ATVMYWGMPWCIRY-CHWSQXEVSA-N 334.332 -0.300 5 20 EBBD Cn1c(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cnc1Cl 1001806260 VAWKWUJMGWZDQL-RKDXNWHRSA-N 341.755 -0.073 5 20 EBBD Cc1nnsc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1010273054 VCNHAWXWZPGASB-RKDXNWHRSA-N 325.350 -0.204 5 20 EBBD Cn1cnc([N+](=O)[O-])c1CN1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 1031930362 AAMVYETVRBXYMZ-UHFFFAOYSA-N 347.335 -0.727 5 20 EBBD O=C(CCn1cnnn1)N1CCN(c2ccnc(O)c2[N+](=O)[O-])CC1 1055882812 LFBUDFJZJWVPSA-UHFFFAOYSA-N 348.323 -0.579 5 20 EBBD NC(=O)C1(C(=O)N2CCCN(c3ccnc(O)c3[N+](=O)[O-])CC2)CC1 1057222505 VDINZSRENCUOCA-UHFFFAOYSA-N 349.347 0.000 5 20 EBBD CN(C)C(=O)CN(CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1098366067 VNEVLRGUKIRQCZ-CHWSQXEVSA-N 342.396 -0.975 5 20 EBBD Cc1nc(NCCN(CCO)C(=O)c2cn(C)nn2)ccc1[N+](=O)[O-] 1111460583 APKYLDLHSOFYEC-UHFFFAOYSA-N 349.351 -0.027 5 20 EBBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1C[C@@H](CO)[C@H](CO)C1 1118944129 UXAQSTYIXKFGCA-QWRGUYRKSA-N 347.331 -0.152 5 20 EBBD CCS(=O)(=O)NCC(=O)NCCNCc1ccccc1[N+](=O)[O-] 1128594750 MCOOLOYJDFVFJU-UHFFFAOYSA-N 344.393 -0.260 5 20 EBBD Cc1nn(C)c(C(=O)NCCN2CCCS2(=O)=O)c1[N+](=O)[O-] 1320808883 GAPZEFRTSYIMEP-UHFFFAOYSA-N 331.354 -0.598 5 20 EBBD CN(CCS(C)(=O)=O)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1321513388 XJGFNTTWOFCWNR-UHFFFAOYSA-N 343.361 -0.286 5 20 EBBD O=C(Cn1ccc(O)nc1=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1339406914 KBPFEDQQBJRHBA-UHFFFAOYSA-N 348.319 -0.083 5 20 EBBD CNC(=O)[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCO1 1591204749 RGONCVRVONYZAU-NSHDSACASA-N 333.308 -0.274 5 20 EBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N[C@@H]2CCOC2)c1 1593474648 RMBLLBXZIDPKNP-SSDOTTSWSA-N 340.321 -0.158 5 20 EBBD CCNC(=O)CN1CCN(c2nc(C(=O)O)ccc2[N+](=O)[O-])CC1 1596461567 DMTCEZOOQOTXJR-UHFFFAOYSA-N 337.336 -0.054 5 20 EBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H](C(N)=O)C1 51164058 CHFJAGRRRWAISQ-JTQLQIEISA-N 329.334 -0.222 5 20 EBBD CN(C)CC(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 90517100 JDTWQXJOCJIRGZ-UHFFFAOYSA-N 337.380 -0.538 5 20 EBBD NC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c3nsnc3c2)CCO1 271318505 NTTBISQLDDZNBP-SECBINFHSA-N 337.317 -0.074 5 20 EBBD Cc1[nH]nc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1[N+](=O)[O-] 272009484 JXGWHENCURWMFW-ZETCQYMHSA-N 331.354 -0.268 5 20 EBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1COC[C@H]1O 285186331 CANWJUSWVZMWAM-NXEZZACHSA-N 332.334 -0.016 5 20 EBBD CCn1cc(S(=O)(=O)NCCNC(=O)C2CC2)c([N+](=O)[O-])n1 339044567 BTMXFRAAODKCEO-UHFFFAOYSA-N 331.354 -0.384 5 20 EBBD Cn1[nH]c(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nc1=O 339742105 HEEGYUFFFSTUKR-UHFFFAOYSA-N 346.347 -0.025 5 20 EBBD CN(CC(=O)O)[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1O 343948251 XVXXAVAJFDXPQA-VXGBXAGGSA-N 341.295 -0.064 5 20 EBBD Nc1nsc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 344025802 SHOBFMLRRSKXNG-UHFFFAOYSA-N 338.353 -0.426 5 20 EBBD CNC(=O)C1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 344938457 WWXJUEUVLTXDJK-UHFFFAOYSA-N 341.345 -0.184 5 20 EBBD C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H](C(N)=O)O1 347828773 PRXYSNUQRSAPJF-XVKPBYJWSA-N 347.324 -0.003 5 20 EBBD COC(=O)Cn1cc(CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)nn1 436990635 VHRHPHXWSZYNIA-UHFFFAOYSA-N 335.276 -0.005 5 20 EBBD Cc1cc(C(=O)O)c([N+](=O)[O-])c(NC[C@H]2CS(=O)(=O)CCO2)n1 563716904 ODVQWQMNCARLBE-QMMMGPOBSA-N 345.333 0.222 5 20 EBBD Cn1nnc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 570037632 CRESVDKXBZESRN-UHFFFAOYSA-N 326.338 -0.318 5 20 EBBD C[C@]1(C(N)=O)CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 596219121 MZNBGCYDSNOJDX-LBPRGKRZSA-N 328.350 -0.056 5 20 EBBD O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(Cc3cn[nH]c3)CC2)c1 599439616 YZKDJGDBRXNTOV-AWEZNQCLSA-N 335.368 -0.307 5 20 EBBD C[C@@H](OC(=O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)O 737708589 VZSYRRQPZJNYEY-ZCFIWIBFSA-N 347.305 -0.330 5 20 EBBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](S(N)(=O)=O)C1 755909202 MDJUJQFDWDMSHY-VIFPVBQESA-N 328.350 -0.178 5 20 EBBD CNC(=O)[C@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 781574359 GVGKEXIEKJEZJA-LLVKDONJSA-N 348.315 -0.405 5 20 EBBD Cn1ccc(C(=O)N2CC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)n1 965380593 KCLPLGMFLZWAIJ-ZYHUDNBSSA-N 349.347 -0.861 5 20 EBBD Cc1nnsc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 973866247 HIGUTVJCPTYHOA-BZNPZCIMSA-N 325.350 -0.111 5 20 EBBD Cc1ncnc(O)c1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 980242478 VBLWJHRBGAZCFS-GWOFURMSSA-N 349.347 -0.220 5 20 EBBD CCc1occc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042976492 DQALCGRIRBBNLY-GHMZBOCLSA-N 337.332 -0.190 5 20 EBBD O=C(NCCN1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cc[nH]c1 1055589834 QYVUEJGCLJGADA-ZIAGYGMSSA-N 349.391 -0.010 5 20 EBBD CC1(NC(=O)CCNC(N)=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1073015644 NGMCOPIDBVNOLD-NXEZZACHSA-N 341.368 -0.793 5 20 EBBD CCn1nc(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)ccc1=O 1093791051 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Cn1ccnc1N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 266965575 XXXIZHVEZXBTRU-ZDUSSCGKSA-N 335.368 -0.292 5 20 EBBD C[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 272167079 NOAXZNWTROITIG-MRVPVSSYSA-N 342.333 -0.187 5 20 EBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1O 274680981 IIICWHHWCSKTRA-JTQLQIEISA-N 337.288 -0.196 5 20 EBBD COC(=O)[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 283550245 HSGOJYQGSDWFPX-MWLCHTKSSA-N 341.324 -0.237 5 20 EBBD C[C@](O)(CO)CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 338619062 DBOSUKULIXNRME-CYBMUJFWSA-N 345.739 -0.163 5 20 EBBD C[C@](O)(CO)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 338630029 UPTNGCCZAGLKIG-CQSZACIVSA-N 326.305 -0.232 5 20 EBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CO)[C@@H]1CCCO1 344855596 LWRZDYKKXPRDCF-OLZOCXBDSA-N 337.332 -0.019 5 20 EBBD CNC(=O)C1CN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 344934587 KPPFGODMAWZXTF-SECBINFHSA-N 334.332 -0.083 5 20 EBBD C[C@@H](CN(C)C)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 346271775 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