smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 37052535 ODPDQBSXCCJGRW-SSDOTTSWSA-N 308.243 -0.542 5 10 DBBE C[C@H](O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)O 131132158 MFOXJSISHFNLSY-SSDLBLMSSA-N 322.270 -0.154 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 158492628 QQFNPUGWBVDAHD-IBGZPJMESA-N 322.368 -0.463 5 10 DBBE NS(=O)(=O)CCS(=O)(=O)c1ncc([N+](=O)[O-])s1 226786852 XAAYWKZCHIHLJH-UHFFFAOYSA-N 301.327 -0.887 5 10 DBBE CN(C(CO)CO)S(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 312544424 IVKVLIJQYHMQBA-UHFFFAOYSA-N 305.312 -0.849 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1C[C@@H](O)C[C@@H](O)C1 594761044 OQQLCZKBDWLPEG-OCAPTIKFSA-N 303.296 -0.894 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)C[C@H]1CO 1149359993 MKAGVNZQPKVFCM-NSHDSACASA-N 311.342 -0.375 5 10 DBBE O=C1NCCO[C@H]2CCCN(C(=O)c3c[nH]nc3[N+](=O)[O-])[C@H]12 1152823631 PXDPMZSJGFGYTN-IUCAKERBSA-N 309.282 -0.563 5 10 DBBE CN1CCN(C)[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1443897681 OBKWSFLKLVZCOW-LLVKDONJSA-N 323.353 -0.882 5 10 DBBE CCS(=O)(=O)CCCNC(=O)c1c([N+](=O)[O-])cnn1C 1451458105 LHFRDJYRVCRMDB-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE Cc1c(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1501688566 BJTWWZLTAUIMSE-YZKQYGISSA-N 321.337 -0.204 5 10 DBBE CN=c1[nH]c(N2CC(NC(=O)C(F)(F)F)C2)ncc1[N+](=O)[O-] 1981916508 GBTDTZQOANNZJE-UHFFFAOYSA-N 320.231 -0.285 5 10 DBBE NCCN(CCO)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2152162657 PYDQWNPMTRGBEE-UHFFFAOYSA-N 307.303 -0.324 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N=S2(=O)CCNCC2)cn1 2153709836 DCLBMRDLQYRRKF-UHFFFAOYSA-N 320.352 -0.250 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(O)(CO)C2)c(Cl)c1 2171960539 SBGZWIIFWXSQEX-UHFFFAOYSA-N 322.726 -0.024 5 10 DBBE O=[N+]([O-])c1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1F 2177840432 WHHYTQMVGBWEOF-ONGXEEELSA-N 304.299 -0.019 5 10 DBBE O=c1oc2ccc([N+](=O)[O-])cc2n1[C@@H]1CS(=O)(=O)C[C@@H]1O 37694405 GUJLWNAWGKKHCN-BDAKNGLRSA-N 314.275 -0.167 5 10 DBBE O=C([C@@H]1COCCN1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 237960060 YGPWNBFDMHSMAT-JQWIXIFHSA-N 321.337 -0.009 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594760834 UJQFACUWYZZVMS-ZETCQYMHSA-N 300.296 -0.501 5 10 DBBE COC(=O)[C@]1(OC)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 599139554 NCPGWWVKDDHLET-ZDUSSCGKSA-N 324.293 -0.143 5 10 DBBE Cc1nn[nH]c1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1285367794 NOBKRUVEAPJYRQ-RKDXNWHRSA-N 310.314 -0.691 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(O)nc1 1533495213 XZPWOIVMDZMTEO-JLVKAVFRSA-N 320.305 -0.145 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCN(CC(F)F)C1 1558087518 ARUUNLJEJBVEQM-MRVPVSSYSA-N 318.284 -0.111 5 10 DBBE O=C(NCC1CCS(=O)(=O)CC1)c1n[nH]cc1[N+](=O)[O-] 1633406906 NIZGSWZFNZUSKE-UHFFFAOYSA-N 302.312 -0.128 5 10 DBBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](O)[C@@H](O)C(=O)O 1865945830 CTNFPHHVZASGIF-RKDXNWHRSA-N 300.223 -0.652 5 10 DBBE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1O)c1csc([N+](=O)[O-])c1 2121332341 DIKUZQIMCVTYNY-BQBZGAKWSA-N 306.321 -0.456 5 10 DBBE NCc1nnc(NS(=O)(=O)c2cncc([N+](=O)[O-])c2)o1 2203632293 PZNVYQMAJUVBSB-UHFFFAOYSA-N 300.256 -0.368 5 10 DBBE CCc1ncc([N+](=O)[O-])c(=NC[C@H]2CCS(=O)(=O)N2)[nH]1 2286664764 UYADTKKPCUWNHT-SSDOTTSWSA-N 301.328 -0.527 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCNC(=O)CC2)c1 62102145 FJXCVVMGVGOSHV-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE CN(C)C(=O)c1ccc([N+](=O)[O-])c(NCCS(N)(=O)=O)c1 212386281 PNBUYQBBWFKILQ-UHFFFAOYSA-N 316.339 -0.003 5 10 DBBE CC1(C)COCCN1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 342962702 IGQIDIKOWWUIDV-UHFFFAOYSA-N 312.330 -0.587 5 10 DBBE Cc1[nH]nc(C(=O)N2CCN(c3nccnn3)CC2)c1[N+](=O)[O-] 600183524 GCGBKNBODSXJIU-UHFFFAOYSA-N 318.297 -0.226 5 10 DBBE C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H](O)CO 698920501 REBPHKGUNYTGLH-LDYMZIIASA-N 304.324 -0.244 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)[C@H](O)CO 698922016 ZNYUTZPWCZXWQG-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE NC[C@@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)O 715436887 OIMUCBPKOXMDNT-MRVPVSSYSA-N 305.268 -0.967 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3nncn3C)CC2)n1 1118383403 YMQMPINAJMIGQJ-UHFFFAOYSA-N 320.313 -0.581 5 10 DBBE COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(=O)NCC12COC2 1133366056 OXAZJBGVLVJQMK-UHFFFAOYSA-N 321.289 -0.056 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H](S(C)(=O)=O)C1 1138955340 LQEUFVQJSCQWJK-VIFPVBQESA-N 316.339 -0.255 5 10 DBBE CS(=O)(=O)C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 1176598251 LLRIXHNFGJOSTM-JTQLQIEISA-N 318.355 -0.463 5 10 DBBE COCC[C@@H](COC)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1324103797 XSQHXZQIUVJLPK-JTQLQIEISA-N 313.310 -0.076 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(O)(C3CC3)C2)n1 1331556944 YYVMRMKKOHRWTF-UHFFFAOYSA-N 302.312 -0.526 5 10 DBBE CNC(=O)CN1CCCN(CCn2c([N+](=O)[O-])cnc2C)CC1 1460807337 MUQHLXSBIOTITH-UHFFFAOYSA-N 324.385 -0.147 5 10 DBBE NC(=O)C1(O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 1473469866 WGXQKBBHMVNBBB-LBPRGKRZSA-N 309.322 -0.060 5 10 DBBE Cn1cc(C[C@@H](CO)NC(=O)CCn2cc([N+](=O)[O-])cn2)cn1 1626893395 BGZLQPQJTFEZIQ-NSHDSACASA-N 322.325 -0.365 5 10 DBBE Cn1cc(CN2CC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])n1 1644593095 XJLBEKGJLWHQOI-SECBINFHSA-N 303.344 -0.548 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](O)[C@H](F)C2)c1 2149266110 IQPUBLSBJACKER-APPZFPTMSA-N 305.287 -0.120 5 10 DBBE CC(C)NC(=O)CNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50658578 PKACWHCDKKWTKE-UHFFFAOYSA-N 316.339 -0.020 5 10 DBBE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1=O 374143523 TZQYPGYSGFKPEJ-KKZNHRDASA-N 307.310 -0.083 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@](O)(C(N)=O)C2)c1 593025658 VEFGETVCCQXCLL-CQSZACIVSA-N 323.305 -0.197 5 10 DBBE CN(C)C(=O)C1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599327241 RKSNKUDCUQEIJZ-UHFFFAOYSA-N 317.327 -0.773 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN(c2nccnn2)CC1 600187124 ANPWOVUYFVIHNS-UHFFFAOYSA-N 304.270 -0.535 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H](O)CC(F)(F)C1 615908085 MDWWUBOFVNPNEJ-VIFPVBQESA-N 317.248 -0.015 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CNC[C@H]2O)ccc1F 699919131 PJANGPUJAAGTGW-PSASIEDQSA-N 305.287 -0.655 5 10 DBBE CCNS(=O)(=O)CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] 756829226 CXRQZSXNGFSVOR-UHFFFAOYSA-N 319.343 -0.520 5 10 DBBE O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCN1 845848812 VOMATGNASKOXQW-UHFFFAOYSA-N 300.296 -0.500 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)n1 1584199481 UHBUZICRICXJJV-ZYHUDNBSSA-N 323.353 -0.001 5 10 DBBE COc1cc(C(=O)NC[C@H](O)Cn2ccnn2)ccc1[N+](=O)[O-] 1638697537 SHEYXFJRAJINMG-JTQLQIEISA-N 321.293 -0.014 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC2(CCNC(=O)O2)C1 1645891286 ZUOUEGCYMFOEEX-UHFFFAOYSA-N 309.282 -0.189 5 10 DBBE CONC(=O)CNC(=O)NCCNc1ccccc1[N+](=O)[O-] 1685488475 QAJCJSRYENLDDX-UHFFFAOYSA-N 311.298 -0.017 5 10 DBBE Cc1c(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nnn1C 1689069265 RDDNEBWNPBDYOM-NXEZZACHSA-N 324.341 -0.681 5 10 DBBE CCc1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1C 1720274827 XAVHYGAQIUMGOV-ZYHUDNBSSA-N 323.353 -0.116 5 10 DBBE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1nc(=N)[nH]cc1[N+](=O)[O-] 2170283343 MFINJNQHBMFRNZ-NKWVEPMBSA-N 301.328 -0.191 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(CO)COC1 2189263017 DUHWLNPFQRHAEK-UHFFFAOYSA-N 302.308 -0.057 5 10 DBBE C[C@@H](O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@H](O)[C@H]2CO)s1 2201009544 XNXVOXRRFNHDAL-PJGXCUNHSA-N 304.324 -0.388 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](CO)C1 126375205 WKVLWATVFMXQSW-VIFPVBQESA-N 317.323 -0.441 5 10 DBBE CN1CCO[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 150914000 WWJZYCUGGWRFBT-LLVKDONJSA-N 312.330 -0.579 5 10 DBBE CN(C[C@@H](O)CN)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 313613967 XOANMAGKLNEAJX-JTQLQIEISA-N 303.340 -0.324 5 10 DBBE NNc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCOCC1 313622533 FYYGRADUYUGJEV-UHFFFAOYSA-N 302.312 -0.099 5 10 DBBE NS(=O)(=O)c1cc(N2CC(n3ccnn3)C2)cc([N+](=O)[O-])c1 338691517 PJZDGMKZMUWWJF-UHFFFAOYSA-N 324.322 -0.105 5 10 DBBE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1CO 599355867 IRQJGNGPQXMNQZ-IUCAKERBSA-N 318.355 -0.033 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](O)CO)cc1[N+](=O)[O-] 698918038 HVNQEWZGNQQCNG-KCJUWKMLSA-N 304.324 -0.077 5 10 DBBE C[C@@H]1CN(c2nc(NN)ncc2[N+](=O)[O-])CCS1(=O)=O 707398638 DBIIHHOLJXELNG-ZCFIWIBFSA-N 302.316 -0.706 5 10 DBBE Cc1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 1285490480 FCMGWEHGCBDTNO-ONKIFHLLSA-N 307.310 -0.214 5 10 DBBE CC(C)(CCC(=O)NC[C@@H](O)CN1CCCC1=O)[N+](=O)[O-] 1445933318 UUHYAXATPBJDKQ-SNVBAGLBSA-N 301.343 -0.079 5 10 DBBE Cc1[nH]nc(C(=O)NCCS(=O)(=O)C2CC2)c1[N+](=O)[O-] 1626535131 QSLAGFRFIZAUIQ-UHFFFAOYSA-N 302.312 -0.067 5 10 DBBE CCN(CCNCC(=O)NC(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1699181827 VLIKVYVOMQRMPB-GHMZBOCLSA-N 300.359 -0.386 5 10 DBBE CN(CCCNC(=O)c1cnns1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720450067 DYRJMXUZAMZDBZ-HTQZYQBOSA-N 313.339 -0.218 5 10 DBBE O=C(N=c1nn[nH][nH]1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1858612345 XTJFKRBIXPKMNH-UHFFFAOYSA-N 313.255 -0.960 5 10 DBBE N[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 2144798514 JGNWGDJYBSGSEA-VIFPVBQESA-N 303.296 -0.325 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COC[C@@H]2O)cc1 2154108967 NRPZFMKOYKBSKB-KWQFWETISA-N 302.308 -0.120 5 10 DBBE CCN(CCCN=c1nc([N+](=O)[O-])[nH]n1C)S(C)(=O)=O 2159179149 UNNCBHHLSORSDM-UHFFFAOYSA-N 306.348 -0.771 5 10 DBBE N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2168108168 ARRRFXLIMVHAGH-IONNQARKSA-N 302.312 -0.928 5 10 DBBE CNS(=O)(=O)C1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 2187308220 XCMUGSVUTDTOPY-UHFFFAOYSA-N 302.312 -0.693 5 10 DBBE NCCC(CCN)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 2205685414 AKOKPPLGYRZJDK-UHFFFAOYSA-N 302.356 -0.061 5 10 DBBE CON(C)CCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 2234114093 LFADWGYLPFDUGB-UHFFFAOYSA-N 304.328 -0.052 5 10 DBBE CC(C)n1ncc([N+](=O)[O-])c1NCCCNS(N)(=O)=O 2240631195 RQHRBEAHBXINAZ-UHFFFAOYSA-N 306.348 -0.033 5 10 DBBE O=C(O)[C@H](CCO)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 40700031 QJAGJBDGUMGQRH-QMMMGPOBSA-N 322.270 -0.152 5 10 DBBE COc1c(O[C@H](C)C(N)=O)cc([N+](=O)[O-])cc1S(N)(=O)=O 215860991 ZYCFRGWBDMUOKS-RXMQYKEDSA-N 319.295 -0.497 5 10 DBBE Cc1nn(CCC(=O)NC[C@H]2CNC[C@H]2O)c(C)c1[N+](=O)[O-] 262123326 FZXCDLFPPCQDAX-GHMZBOCLSA-N 311.342 -0.505 5 10 DBBE CCOC(=O)C[C@H](CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 590383442 KZKAQPNPYLPVON-SECBINFHSA-N 314.298 -0.388 5 10 DBBE CNC[C@H]1CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599097460 IQYKNJUWWUOIQN-MRVPVSSYSA-N 303.344 -0.299 5 10 DBBE CS(=O)(=O)NC[C@H]1COCCN1c1ncc([N+](=O)[O-])s1 599185914 WVHUDGVXASGQCI-ZETCQYMHSA-N 322.368 -0.194 5 10 DBBE COCCOCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599209485 TWHLWFCWOCHYEW-UHFFFAOYSA-N 322.343 -0.340 5 10 DBBE COc1ccc(S(=O)(=O)N[C@H]2CNOC2)c([N+](=O)[O-])c1 722499800 DLCOGZQHEQFCAU-ZETCQYMHSA-N 303.296 -0.215 5 10 DBBE CCN(CCS(C)(=O)=O)C(=O)c1nn(C)cc1[N+](=O)[O-] 1324840404 AHUPPQUOATWKLO-UHFFFAOYSA-N 304.328 -0.165 5 10 DBBE C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334955968 AZIFPULXBNKEEM-QOLSBQFWSA-N 324.384 -0.284 5 10 DBBE COCCN(CCNC(=O)c1cc[nH]c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1338983414 LZZQPCVQSOOJRB-VXGBXAGGSA-N 324.337 -0.115 5 10 DBBE O=C1CS(=O)(=O)C[C@@H](C(=O)Oc2cccc([N+](=O)[O-])c2)N1 1356527470 OHFAPEABGVJWBN-VIFPVBQESA-N 314.275 -0.587 5 10 DBBE NC(=O)[C@H](F)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1470782793 JYHFNYVEMAUOMH-SECBINFHSA-N 314.277 -0.752 5 10 DBBE CC(C)N(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1494217836 IBHDKZTWDGUVAO-WRWGMCAJSA-N 312.370 -0.245 5 10 DBBE COC(=O)[C@@H](O)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 1608062184 OGSCZYXQTPWFGG-VIFPVBQESA-N 314.298 -0.433 5 10 DBBE Cc1nc(NCCN2CCS(=O)(=O)CC2)ncc1[N+](=O)[O-] 1651487886 KNIQNWNJNXFNJJ-UHFFFAOYSA-N 315.355 -0.164 5 10 DBBE CCCn1nnnc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1670781371 ISXYRJICNPDBAM-NXEZZACHSA-N 323.357 -0.513 5 10 DBBE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CC([N+](=O)[O-])C1 1900196350 CDOUAXWWOYHVQH-QMMMGPOBSA-N 303.315 -0.393 5 10 DBBE CN(C)c1nc(=NC[C@@H]2CCS2(=O)=O)[nH]cc1[N+](=O)[O-] 2157676848 QKZCNCXALSXATC-ZETCQYMHSA-N 301.328 -0.528 5 10 DBBE NC1CC(O)(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 2163555031 IQHZEDOSYFXVMI-UHFFFAOYSA-N 301.324 -0.275 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c1[N+](=O)[O-] 2165119600 FREZHUITRLUNSD-HETMPLHPSA-N 304.690 -0.965 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2174123530 MIHLWPPBWUKAIN-WCBMZHEXSA-N 304.324 -0.244 5 10 DBBE NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cncc([N+](=O)[O-])c1 2181125153 KEGCCJGCHKIWOP-VXNVDRBHSA-N 302.312 -0.928 5 10 DBBE CNS(=O)(=O)c1ccc(NC[C@H](N)[C@H](C)O)c([N+](=O)[O-])c1 80741330 OEVBNUDPULTCEI-CBAPKCEASA-N 318.355 -0.377 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@](O)(CO)C2)cc1 313788431 JDFVBWMAXBMZIZ-NSHDSACASA-N 302.308 -0.287 5 10 DBBE COC(=O)c1cc(C(=O)NC[C@@](C)(O)CO)cc([N+](=O)[O-])c1 355336027 ODQLSTNGPNGVLB-CYBMUJFWSA-N 312.278 -0.146 5 10 DBBE O=C(C1CC1)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 360957828 NYIRAXDVOCMMFM-QWHCGFSZSA-N 324.337 -0.168 5 10 DBBE Cn1ccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])n2C)n1 597572796 RZAVLVDBSXZJJB-UHFFFAOYSA-N 306.282 0.035 5 10 DBBE CCOC(=O)C[C@@H](CO)NC(=O)c1c([N+](=O)[O-])cnn1C 597677760 IOCRLLVEHIROEN-ZETCQYMHSA-N 300.271 -0.628 5 10 DBBE NCCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 599110502 UZSPFSBCFWINKR-UHFFFAOYSA-N 304.328 -0.367 5 10 DBBE CNc1ncnc(N2CC[C@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] 707428494 MDYXNKBDZADKJT-LURJTMIESA-N 302.316 -0.706 5 10 DBBE CC(C)C(=O)NC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1125053569 HRSXJBNEORZICM-UHFFFAOYSA-N 324.341 -0.051 5 10 DBBE CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cn1ncnn1 1317587686 SDEIWCGFSFGHFN-UHFFFAOYSA-N 319.325 -0.171 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)OCCC1CS(=O)(=O)C1 1339517150 BLIXGIQTJSWKJF-UHFFFAOYSA-N 303.296 -0.231 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cnn(C)c1 1577024922 PFYGROIXNWOMBH-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE CNC(=O)CN1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1646056588 YCKCKMFSMHZDOU-UHFFFAOYSA-N 324.341 -0.778 5 10 DBBE Cc1c[nH]nc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689324544 OVXJNPVQWGWTQG-JAFKPYBISA-N 307.310 -0.214 5 10 DBBE O=C(CC1(O)CCC1)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1720874677 NVAMJTIMUCJPMB-HMUNZLOLSA-N 323.349 -0.470 5 10 DBBE Nc1nc[nH]c(=NC[C@@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-] 2146114127 QJHYAUODYXYENE-ZETCQYMHSA-N 301.328 -0.374 5 10 DBBE CNS(=O)(=O)CCN(C)c1cc([N+](=O)[O-])cc(NN)n1 2151038145 FBNYFOUAZHOOBQ-UHFFFAOYSA-N 304.332 -0.739 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CC1(O)CCS(=O)(=O)CC1 2169657043 QYEFOUCCCZHVFJ-UHFFFAOYSA-N 302.308 -0.304 5 10 DBBE O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CNS(=O)(=O)C2)C1 2176118463 SFDDONUKHJMCIL-UHFFFAOYSA-N 301.280 -0.437 5 10 DBBE C[P@]1(=O)C[C@@H](O)[C@H](Nc2ncnc(NN)c2[N+](=O)[O-])C1 2177956341 RPWPLAQOUQULQQ-NGTNMVSQSA-N 302.231 -0.182 5 10 DBBE NNc1cccc([N+](=O)[O-])c1S(=O)(=O)N=c1nc[nH]s1 2240951057 DFJFFTOSLOATRJ-UHFFFAOYSA-N 316.324 -0.045 5 10 DBBE COC(=O)[C@@](C)(O)Cn1nc([N+](=O)[O-])nc1Br 231801114 KLQGWPYRPBCSSH-ZETCQYMHSA-N 309.076 -0.127 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@@H](N)C(=O)O)cc1[N+](=O)[O-] 323375238 GGGPFGYJRZOVAD-MRVPVSSYSA-N 303.296 -0.407 5 10 DBBE CN1CCN(C)[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 347884680 GQOYVXPIDNPMTB-JTQLQIEISA-N 305.342 0.295 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CC(N2CC[C@@H](O)C2)C1 593508201 PHMNNHAUMWZZKP-SNVBAGLBSA-N 307.310 -0.656 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC[C@H]2O)c(F)c1 699916305 DGPYUAUYFXTMIK-RKDXNWHRSA-N 305.287 -0.655 5 10 DBBE O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1c[nH]nc1[N+](=O)[O-] 1141687881 WWMKCKQMFUAZKF-ZETCQYMHSA-N 302.312 -0.128 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(OCCO)CCOC1 1146733350 RPHNVZVRUAIYRL-GFCCVEGCSA-N 314.298 -0.774 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CCO[C@@H](Cn2ccnn2)C1 1148171685 XDSNQODJKNHZER-MRVPVSSYSA-N 307.270 -0.549 5 10 DBBE O=C(NCCN1C(=O)CCC1=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1543770813 MFHXDTVOTWYMBA-CYBMUJFWSA-N 321.289 -0.107 5 10 DBBE C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCS1(=O)=O 1587378043 WYZCLDQZEKLWSS-SSDOTTSWSA-N 302.312 -0.413 5 10 DBBE CN(CCNC(=O)c1ccn(C)c(=O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721099675 FOAUQNKKHUQWGK-GHMZBOCLSA-N 322.321 -0.761 5 10 DBBE O=[N+]([O-])c1ccc(CNS(=O)(=O)N2CC[C@H](O)C2)cc1 1914144677 VASRUYVQMKSTGM-NSHDSACASA-N 301.324 -0.004 5 10 DBBE NC(=O)OCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 135255291 IDPFFJQDRQCGFI-UHFFFAOYSA-N 305.268 -0.326 5 10 DBBE COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(C(N)=O)C1 319426210 JACJIGVFKDPJRI-CYBMUJFWSA-N 309.278 -0.334 5 10 DBBE Cn1cc([C@@H](CO)Nc2ccc3ncc([N+](=O)[O-])n3n2)cn1 347772664 MHJAKAKZVYJCKR-SECBINFHSA-N 303.282 0.517 5 10 DBBE CCN(C)C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593579084 SBTVCGBYMZDFBV-UHFFFAOYSA-N 302.312 -0.254 5 10 DBBE COC(=O)c1ccnc(N2CCO[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] 599187954 SFZBWTNAYPZGNS-QMMMGPOBSA-N 324.293 -0.143 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCn2ccnc2)n1 599207914 WWJNBUQWZLEZBV-UHFFFAOYSA-N 300.300 -0.497 5 10 DBBE NC(=O)C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCO1 599664476 OFIUXCCBQGMRIG-NSHDSACASA-N 310.310 -0.667 5 10 DBBE CNc1ccc([N+](=O)[O-])c(N2CC[C@@H](S(N)(=O)=O)C2)n1 707428327 JVJGQOOVBKATNG-SSDOTTSWSA-N 301.328 -0.101 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1C[C@@H]2CC[C@H](C1)O2 1140911275 GINPAUGVPGASMK-AOOOYVTPSA-N 309.326 -0.079 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)N2CCCC2)n1 1261793440 JCIYUGUKYDIYTE-UHFFFAOYSA-N 317.327 -0.771 5 10 DBBE CN(CCOCCNC(=O)C(N)=O)Cc1ccccc1[N+](=O)[O-] 1283408288 ONEMPDHIVMUYJJ-UHFFFAOYSA-N 324.337 -0.355 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2CC[C@H](C1)N2CCOCCO 1317734281 IIRVWXXKNWJNSC-YVECIDJPSA-N 313.354 -0.664 5 10 DBBE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)CC[N+](=O)[O-] 1473504335 USAWWYRPPMEXCA-UHFFFAOYSA-N 316.383 -0.021 5 10 DBBE COc1cc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 1580794320 BBIXEAAXMSWSIM-PSASIEDQSA-N 323.309 -0.661 5 10 DBBE CNC(=O)[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1633421148 MBEWXSWQCOPDAF-SNVBAGLBSA-N 322.321 -0.259 5 10 DBBE CN(C)C[C@]1(O)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 1640295633 BKFQZKDSLIUUDC-CYBMUJFWSA-N 309.326 -0.409 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)CN1CCCC1 1713664322 OEGPCRRMGRGBBS-UHFFFAOYSA-N 324.385 -0.028 5 10 DBBE NS(=O)(=O)CC1CN(c2ncnc(Cl)c2[N+](=O)[O-])C1 1880186609 HOFZTOOATOXRCR-UHFFFAOYSA-N 307.719 -0.237 5 10 DBBE O=[N+]([O-])c1nc(Br)n(C[C@]2(O)CNCCOC2)n1 2039072874 RURGARCSFDROLV-MRVPVSSYSA-N 322.119 -0.700 5 10 DBBE Cc1ccc(S(=O)(=O)N2CC(O)(CN)C2)cc1[N+](=O)[O-] 2154726120 IPPKMNDOCOKPAU-UHFFFAOYSA-N 301.324 -0.403 5 10 DBBE CN(C)[S@@](C)(=O)=NC(=O)c1cc([N+](=O)[O-])ncc1NN 2167468362 RWWIISAYGLMQHF-FQEVSTJZSA-N 302.316 -0.010 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](O)[C@H](O)C2)c1 2188680288 LMKXVXIFPZSRTI-GHMZBOCLSA-N 302.308 -0.289 5 10 DBBE COCC1(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)COC1 2189271920 CVFOZQOPOHARHB-UHFFFAOYSA-N 323.352 -0.068 5 10 DBBE NC(=O)[C@@H]1CCN1S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2232793464 ZDMPGUFSAMRWQR-QMMMGPOBSA-N 303.271 -0.018 5 10 DBBE NS(=O)(=O)c1ccc(NC[C@H]2CNCCO2)c([N+](=O)[O-])c1 116883652 LOAIZVFBLGVYJH-MRVPVSSYSA-N 316.339 -0.358 5 10 DBBE CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@H]21 301661276 MTOCJMHIVBARRL-GHMZBOCLSA-N 307.310 -0.392 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC(=O)N1 593600856 HCUFYYQBZGCUCA-ZETCQYMHSA-N 300.296 -0.501 5 10 DBBE COCC(COC)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593601638 OJIJPDFQHSKUDQ-UHFFFAOYSA-N 305.312 -0.071 5 10 DBBE CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594783744 HZMMRFMTVKHUTR-IONNQARKSA-N 303.296 -0.318 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@]2(C)CO)n1 599288041 OSJCTBWRKNSTLF-SNVBAGLBSA-N 304.328 -0.136 5 10 DBBE C[C@H](O)C(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 615279907 AXBCVWCNSGOGJK-VIFPVBQESA-N 324.337 -0.301 5 10 DBBE CN(C)C[C@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 716780018 RNMSVSXJOFFJFX-SECBINFHSA-N 303.340 -0.204 5 10 DBBE Cc1noc(COC(=O)[C@@H]2CCN(C)S2(=O)=O)c1[N+](=O)[O-] 853924232 NJEMBTOBEHEMPH-QMMMGPOBSA-N 319.295 -0.032 5 10 DBBE NC(=O)CC[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1115960435 SJEFQLBNYYXBNS-SECBINFHSA-N 310.314 -0.310 5 10 DBBE CCN(C(=O)CN(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1317448517 VKZIKWRYLPVARI-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)n1 1337980576 IXCKVYBXYDRIIE-MRVPVSSYSA-N 316.339 -0.023 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@]1(C)CCS(=O)(=O)C1 1340802927 NOZGFPDRZBWFEB-LLVKDONJSA-N 316.339 -0.207 5 10 DBBE Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCN=C1C[N+](=O)[O-])CC2 1852829999 AXXMKPLAGJXAPY-VIFPVBQESA-N 319.321 -0.597 5 10 DBBE COC(=O)C1=C(O)c2cc([N+](=O)[O-])cnc2S(=O)(=O)N1 2059947528 KTJCRDUBMDOVRL-UHFFFAOYSA-N 301.236 -0.319 5 10 DBBE N[C@H]1COC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2149985801 DGNPTCQILQJXQV-DTWKUNHWSA-N 305.287 -0.262 5 10 DBBE C[S@](=O)(=Nc1ncnc(N)c1[N+](=O)[O-])N1CCNCC1 2173925421 JNRVZNWGUBRKJI-FQEVSTJZSA-N 301.332 -0.484 5 10 DBBE NCC1(Oc2ncnc(Cl)c2[N+](=O)[O-])CS(=O)(=O)C1 2267892477 JHBZUYPAFPBJAW-UHFFFAOYSA-N 308.703 -0.457 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2COCCO2)c1 50662534 NFIODIDIYIUDKI-VIFPVBQESA-N 317.323 -0.129 5 10 DBBE COC[C@H](O)CN(C)S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50677966 WFQWJRAAXMKUJB-SECBINFHSA-N 319.339 -0.195 5 10 DBBE Cc1ccc([N+](=O)[O-])c(S(=O)(=O)CCS(N)(=O)=O)n1 162880680 FCFWVQVPBAHACM-UHFFFAOYSA-N 309.325 -0.640 5 10 DBBE CN(CCO)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 170209887 NJLGULMOOQJCQP-UHFFFAOYSA-N 307.262 -0.359 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@H]1O 295256350 GLEJQOLPGUHMHI-RKDXNWHRSA-N 318.307 -0.359 5 10 DBBE CN1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1=O 594760819 UATXLZSBHVKHDO-UHFFFAOYSA-N 300.296 -0.548 5 10 DBBE Nc1sc(S(=O)(=O)N[C@H]2CCNC2=O)cc1[N+](=O)[O-] 693955524 RNAOEXKJFVNRCI-BYPYZUCNSA-N 306.325 -0.595 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2CN(C3CC3)C(=O)O2)c1=O 845301994 JTUFQPGDMKICLR-SECBINFHSA-N 322.277 -0.161 5 10 DBBE CN(C)C(=O)c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)nc1 1116854851 FKVIHSGNSGIOHD-UHFFFAOYSA-N 319.281 -0.078 5 10 DBBE CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN2CCO[C@H]1C2 1436423899 GTPUQRBALRWZTM-RYUDHWBXSA-N 309.326 -0.277 5 10 DBBE O=C1NCC[C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]12 1560096946 LHVZCCHDSRIADI-DRZSPHRISA-N 323.353 -0.247 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC(C2CS(=O)(=O)C2)C1 1636074251 BAIHVHWKWZQUOU-UHFFFAOYSA-N 300.296 -0.566 5 10 DBBE COC(=O)C[C@H](O)CNC(=O)Cn1c([N+](=O)[O-])cnc1C 1648406947 ZTQQTOXDJQSVRV-QMMMGPOBSA-N 300.271 -0.860 5 10 DBBE CN(CCNCC(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1714704511 RCJLPQRTVMCFEV-VXGBXAGGSA-N 312.370 -0.242 5 10 DBBE CCS(=O)(=O)N(C)CCN=c1ccc(N)c([N+](=O)[O-])[nH]1 1926367928 ZSIWFSKHQLDKOL-UHFFFAOYSA-N 303.344 -0.313 5 10 DBBE CN(CCS(=O)(=O)N(C)C)c1ncnc(F)c1[N+](=O)[O-] 2151039476 UNGISPQBURVKLJ-UHFFFAOYSA-N 307.307 -0.149 5 10 DBBE CN(C)S(=O)(=O)c1nccn1-c1nn(C)cc1[N+](=O)[O-] 2179129160 FOOQRFNPJYOOMD-UHFFFAOYSA-N 300.300 -0.236 5 10 DBBE CS(=O)(=O)CCNC(=O)c1ccc(NN)c([N+](=O)[O-])c1 51088033 MLKIHRUHUWHVFS-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE C[C@@H](NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-])c1nn[nH]n1 126958611 XWTQPJUJSDOUIY-RXMQYKEDSA-N 313.299 -0.270 5 10 DBBE C[C@H](O)CNCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 132226687 ZPWWJPKRQYMGIX-QMMMGPOBSA-N 321.330 -0.017 5 10 DBBE Cc1nc(NN)nc(NCCCS(N)(=O)=O)c1[N+](=O)[O-] 235789043 NOHADIWNTFYFDF-UHFFFAOYSA-N 305.320 -0.931 5 10 DBBE O=C(NC(CO)(CO)CO)c1cc([N+](=O)[O-])ccc1Cl 236491050 GZUGNPFDJXUYSQ-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE CN1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O 359094034 KWJKUXCXZJVNTA-UHFFFAOYSA-N 300.296 -0.522 5 10 DBBE O=C1OCCN1CCCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 496229157 QOYPANHRKHNZRK-LLVKDONJSA-N 313.314 -0.416 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N(CCO)CCCO 594760767 SFMABFDAUPUDAA-UHFFFAOYSA-N 305.312 -0.645 5 10 DBBE CNC[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599095754 HUIZIVIGSADHDH-SECBINFHSA-N 317.371 -0.052 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@H](O)C[C@@H]2CO)c1 698136194 FNVDZJMIIPRTCX-RKDXNWHRSA-N 303.296 -0.894 5 10 DBBE C[C@@H]1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C(=O)O1 849393588 AHRHURLDUNWFOS-RQJHMYQMSA-N 301.280 -0.028 5 10 DBBE COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1cccnc1[N+](=O)[O-] 1308136518 FBKNAZPEUWWQLX-JTQLQIEISA-N 308.294 -0.195 5 10 DBBE NS(=O)(=O)C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 1460884281 YFCJQPJLLNLGBA-SECBINFHSA-N 303.344 -0.598 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCC(=O)N1CCOCC1 1466493269 KLTJBSHCALEIGV-UHFFFAOYSA-N 311.298 -0.925 5 10 DBBE Cc1nn(C)c(C(=O)NCCN2C(=O)CCCC2=O)c1[N+](=O)[O-] 1472517127 ARMOYNGBZQPBJP-UHFFFAOYSA-N 323.309 -0.094 5 10 DBBE C[C@@H]1c2nncn2CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1556199450 MEAUHXVGGXPVJQ-SECBINFHSA-N 318.293 -0.049 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCO[C@@H]1CCOC1 1611116694 OBCTWWNPWGEKLP-LLVKDONJSA-N 311.294 -0.322 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@H](c2nn[nH]n2)C1 1632986845 UWGWVPUWIWVHBT-QMMMGPOBSA-N 319.281 -0.714 5 10 DBBE CNC(=O)NC1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1638016650 ZZRYJLFOTLZETF-UHFFFAOYSA-N 310.314 -0.138 5 10 DBBE CCN(CCNC(=O)C12CCN(CC1)C2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704286807 LZGZSFXVAIGFBF-VXGBXAGGSA-N 324.381 -0.288 5 10 DBBE O=C(Nc1ncccc1[N+](=O)[O-])c1cnc2nc[nH]n2c1=O 1866072989 WQNAGMFSPCPFGC-UHFFFAOYSA-N 301.222 -0.027 5 10 DBBE N=c1[nH]c(=NCC[C@@H]2CCCS2(=O)=O)[nH]cc1[N+](=O)[O-] 2157641904 ZJBHWZPYNLILKE-ZETCQYMHSA-N 301.328 -0.402 5 10 DBBE O=[N+]([O-])c1cnc(F)[nH]c1=NCCNS(=O)(=O)C1CC1 2158557635 KJVKYGJZEBZMJL-UHFFFAOYSA-N 305.291 -0.561 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NC[C@H](F)C2CNC2)c1 2169211974 WLKZIVKAVKXBSB-JTQLQIEISA-N 304.303 -0.174 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N1CC(O)(CO)C1 2171960928 WOOVYYWAWNSZGM-UHFFFAOYSA-N 306.271 -0.538 5 10 DBBE CS(=O)(=O)c1ccc(NC[C@H](O)C(=O)O)c([N+](=O)[O-])c1 2176866784 REMKUFCWUCIPKY-VIFPVBQESA-N 304.280 -0.144 5 10 DBBE NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2187584410 PDORXHISTRCIQN-SFYZADRCSA-N 302.312 -0.928 5 10 DBBE N[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])cn2)CCS(=O)(=O)C1 2202443701 BFFILJQKXOVSAW-JTQLQIEISA-N 300.296 -0.556 5 10 DBBE CCCS(=O)(=O)CCN=c1[nH]cc([N+](=O)[O-])c(=NC)[nH]1 2204665796 DFJOGSVKEZLMRK-UHFFFAOYSA-N 303.344 -0.493 5 10 DBBE NC(CO)(CO)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 2286178195 JQLSJHOXMIDNBT-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE O=[N+]([O-])c1cccc(CNS(=O)(=O)N2CCNCC2)c1 52926262 GPTWVQXQTUPKTO-UHFFFAOYSA-N 300.340 -0.166 5 10 DBBE NS(=O)(=O)c1cc([N+](=O)[O-])cc(C(=O)OC2COC2)c1F 98059772 AOONQRNBTUTART-UHFFFAOYSA-N 320.254 -0.063 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 131301484 KMLMUYJOAVXDBE-UHFFFAOYSA-N 317.327 -0.705 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCO[C@H](CO)C2)c([N+](=O)[O-])c1 167876736 WUAQQVYADWVPLN-VIFPVBQESA-N 317.323 -0.441 5 10 DBBE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 592934863 FLKJJKUTUWLBLW-HTQZYQBOSA-N 312.282 -0.676 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)nc1 593656011 ISXKKSHJWUNZET-OWXODZSWSA-N 317.348 -0.116 5 10 DBBE CC(C)(NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cnn[nH]1 734410155 LZDQBURYQFATDA-UHFFFAOYSA-N 306.282 -0.074 5 10 DBBE NS(=O)(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 1143897798 WCKJOHBVNXBBRV-UHFFFAOYSA-N 314.323 -0.117 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C(N)=O)C2)n1 1160582196 YLONLYZWQNJEAT-MRVPVSSYSA-N 310.314 -0.151 5 10 DBBE NC(=O)N[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 1295898724 CQDLQXSOLPCREA-KOLCDFICSA-N 308.294 -0.103 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1cc(=O)c(O)cn1C 1452531972 PWIVNMODSGWRSX-UHFFFAOYSA-N 321.293 -0.180 5 10 DBBE CS(=O)(=O)C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 1465739392 WUFYGWVFBCVIJW-UHFFFAOYSA-N 316.339 -0.173 5 10 DBBE NS(=O)(=O)c1cccc(N2C[C@H]3C[C@H]2C(=O)O3)c1[N+](=O)[O-] 1559194650 ZQUWBAALTQGZBC-SVRRBLITSA-N 313.291 -0.254 5 10 DBBE CCN(C)CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1689582878 MNSDUCVOTNGZHG-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE CN(CCS(=O)(=O)N(C)C)c1[nH]c(=N)ccc1[N+](=O)[O-] 2151038636 JHEXEBVAPUBRCE-UHFFFAOYSA-N 303.344 -0.270 5 10 DBBE CN(CCS(=O)(=O)N(C)C)c1cc(N)c([N+](=O)[O-])cn1 2165859519 DUUAEOVVPKOZOS-UHFFFAOYSA-N 303.344 -0.100 5 10 DBBE O=Cc1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c1 2177849899 PDOJFGHIXOWOKK-ONGXEEELSA-N 300.292 -0.023 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C[C@@H]1N 2179201319 HQKZRAKSHWBQIE-DTWKUNHWSA-N 302.312 -0.664 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1 2192681433 UWDVKOBYMDXOIC-KOLCDFICSA-N 300.340 -0.026 5 10 DBBE CC(C)[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1CCCC1 71024745 SLWHRHMRTWWXOU-NSHDSACASA-N 324.341 -0.051 5 10 DBBE NC(=O)CN(CC(N)=O)C(=O)c1cccc(Cl)c1[N+](=O)[O-] 155977417 YEXXEYBDRGICFV-UHFFFAOYSA-N 314.685 -0.339 5 10 DBBE CNC(=O)[C@@H]1CCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 160091793 BMQSAXVBUPDNLY-JTQLQIEISA-N 310.314 -0.289 5 10 DBBE CNc1sc(S(=O)(=O)N[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] 229363692 WMIVADBUEAYAJD-YFKPBYRVSA-N 320.352 -0.135 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)NCC2(O)CNC2)cc1 312212302 BAGRNVJSHSYBBW-UHFFFAOYSA-N 301.324 -0.652 5 10 DBBE CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 595354502 SOAWDXUEDRTNSD-QMMMGPOBSA-N 314.323 -0.207 5 10 DBBE O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCNC1=O 597855907 MFYKGYPBVZSMRG-NSHDSACASA-N 320.305 -0.281 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CNC2)C2COC2)cc1 725375358 WQFOEQOOHYLHNP-UHFFFAOYSA-N 313.335 -0.044 5 10 DBBE CN(CCCNC(=O)c1n[nH]cc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1351879789 LGUBNGNPZWODIZ-VXNVDRBHSA-N 313.289 -0.208 5 10 DBBE Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 1472362264 HOIPSPQXSOBJNQ-NSHDSACASA-N 322.325 -0.009 5 10 DBBE CN(C)c1noc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1483007022 DBLCOAHSVZHQPC-HWKXXFMVSA-N 324.341 -0.437 5 10 DBBE O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CC(N[C@@H]2CCOC2)C1 1597700521 KOUVWNDBAIKPSS-SECBINFHSA-N 308.294 -0.102 5 10 DBBE COCC(=O)N[C@H]1[C@@H]2CN(Cc3c([N+](=O)[O-])ncn3C)C[C@@H]21 1662018186 NZXQHLHYJZFNRY-GDGBQDQQSA-N 309.326 -0.479 5 10 DBBE C[C@@H]1CNC[C@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1926061827 YDKZKPXPUYTKTI-VHWMUFPASA-N 320.103 -0.032 5 10 DBBE NC(=O)C1(Oc2c(Br)cncc2[N+](=O)[O-])CNC1 2056346858 WBLYGURRYOUHBS-UHFFFAOYSA-N 317.099 -0.042 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2118030171 WXAAKOFFFYNKIR-KCQQBQQISA-N 304.715 -0.085 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1CC1[C@H]2COC[C@H]12 2188903938 GBQAZUZTKJLKDP-HTQZYQBOSA-N 302.312 -0.360 5 10 DBBE Nc1ccc([N+](=O)[O-])c(NC[C@@H]2NC[C@@H](O)[C@@H]2O)c1Cl 2234019667 LOFNBNLTDOEGMN-FMTFEUNWSA-N 302.718 -0.064 5 10 DBBE Cn1nccc1CCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 230938173 UANVNQOEIIOPAV-UHFFFAOYSA-N 300.300 -0.585 5 10 DBBE C[C@H](O)CN(CCO)S(=O)(=O)c1cncc([N+](=O)[O-])c1 313292854 GDULZAHRNVNCAX-QMMMGPOBSA-N 305.312 -0.646 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594760832 UJQFACUWYZZVMS-SSDOTTSWSA-N 300.296 -0.501 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)N1C[C@@H](O)C[C@@H](O)C1 611024416 OISGCGRYUZVHHD-OCAPTIKFSA-N 303.296 -0.894 5 10 DBBE CC(C)(CCC(=O)N[C@H](CO)CN1CCOCC1)[N+](=O)[O-] 820017121 YIMQCWUZFOTQGR-NSHDSACASA-N 303.359 -0.369 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(=O)Nc1ccn(C)n1 1321460522 AESGCQZRAMNJAR-UHFFFAOYSA-N 321.297 -0.412 5 10 DBBE Cn1cc([C@H]2C[S@](=O)CCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1632818349 ACWGDEKWMAXYCC-DBRKDXFPSA-N 312.351 -0.283 5 10 DBBE CNS(=O)(=O)NC1CCN(c2c([N+](=O)[O-])cnn2C)CC1 1639862500 MANVIXZOHLENNH-UHFFFAOYSA-N 318.359 -0.649 5 10 DBBE O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(O)nc1 1703364551 YEMBDTIAUDHMGJ-NXEZZACHSA-N 308.294 -0.312 5 10 DBBE O=C(CCc1cnc[nH]1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1747214633 JVWIRWMNXJUROI-JZIZGNRHSA-N 321.337 -0.204 5 10 DBBE O=CNCCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 1859150876 RAOOAZVDZAUACY-UHFFFAOYSA-N 308.294 -0.423 5 10 DBBE O=C(O)CN(CC(=O)O)C(=O)C(=O)Cc1ccccc1[N+](=O)[O-] 1866350428 SHQHUDXINYOOAC-UHFFFAOYSA-N 324.245 -0.296 5 10 DBBE C[S@@](=O)C1CN(S(=O)(=O)c2ccc(N)cc2[N+](=O)[O-])C1 2171958031 XGFKGBTXNHVJKX-LJQANCHMSA-N 319.364 -0.072 5 10 DBBE N[C@@H](CS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)O 2195326825 JGRUQIVAGFSYEI-JTQLQIEISA-N 302.308 -0.036 5 10 DBBE C[C@@H]1CNCCN1S(=O)(=O)N=c1cc[nH]cc1[N+](=O)[O-] 2202432908 YMMRLZOOAQUJTA-MRVPVSSYSA-N 301.328 -0.638 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 49102119 NYWKTFSMRUQMDQ-LURJTMIESA-N 317.327 -0.707 5 10 DBBE CNc1cc(S(=O)(=O)NCCC(N)=O)ccc1[N+](=O)[O-] 131942274 YYKDLFQVGTZBRG-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE O=C(O)c1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc([N+](=O)[O-])c1 247327625 NTYQLZCIRRRKCF-VPOLOUISSA-N 314.250 -0.856 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1COC[C@@H]1O 323356613 AMEXHZCAPAXPMA-CBAPKCEASA-N 303.296 -0.785 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[C@]3(N)C2)n1 599100753 MXVMNQFZYYKMEM-KCJUWKMLSA-N 315.355 -0.170 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)Cc1ccccc1[N+](=O)[O-] 719420572 CVPCYZQJURONHD-UHFFFAOYSA-N 301.324 -0.116 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cncnc1 1285528420 WPIYBKXEZHBEAH-JLVKAVFRSA-N 305.294 -0.456 5 10 DBBE CC(=O)N1CCC[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 1436123729 LHWBPPDGJKIZNO-SNVBAGLBSA-N 310.314 -0.439 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C1=C2CCCN=C2NN1 1445716572 WMEXMKRVGTWYDV-UHFFFAOYSA-N 305.298 -0.538 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1F 1472184226 DSKGXGYZPXESNS-QMMMGPOBSA-N 320.298 -0.131 5 10 DBBE Cc1ccnn1CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1501852412 QAUUAZUBHDSNLT-JGLYPNHGSA-N 321.337 -0.355 5 10 DBBE CCN(CCNC(=O)c1cncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1528940099 RZQUULHPQSLTMK-NXEZZACHSA-N 309.326 -0.336 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1csnn1 1533490909 DLMVHMOSHFHWLA-LLKUCEORSA-N 311.323 -0.395 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C(=O)NC)C2)n1 1633792411 DUQVWNNDJZNZPQ-VIFPVBQESA-N 311.298 -0.602 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1c[nH]c(=O)cn1 1687462389 PCERJUCSHNRHBB-PSASIEDQSA-N 323.309 -0.987 5 10 DBBE O=C(Cc1cc[nH]n1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1705001555 IJSDUIBTWNLSAD-COUIAZAYSA-N 307.310 -0.594 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC(=O)N(C)C 1745308156 IJCZYZLTWWIBPR-NXEZZACHSA-N 314.342 -0.905 5 10 DBBE C[S@@](=O)(=NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C1CNC1 1924599325 FSHSDZZPJVFZIH-IBGZPJMESA-N 320.352 -0.252 5 10 DBBE Cn1cc([N+](=O)[O-])c(CS(=O)(=O)CC[S@](C)(=N)=O)n1 2102876178 WMJZHAPTWIWCHI-GOSISDBHSA-N 310.357 -0.080 5 10 DBBE N[C@H]1CS(=O)(=O)C[C@@H]1Oc1nc(Cl)ncc1[N+](=O)[O-] 2128225188 JBZXZYZOKZPEDO-NJGYIYPDSA-N 308.703 -0.459 5 10 DBBE C[C@@H](Nc1ncnc(NN)c1[N+](=O)[O-])C1CS(=O)(=O)C1 2146099723 GWMDCBMUYPQWPR-RXMQYKEDSA-N 302.316 -0.485 5 10 DBBE CCc1nn(C)c(OC[C@@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 2146201966 DDJVIMNAOBYJCA-ZETCQYMHSA-N 304.328 -0.039 5 10 DBBE O=C(O)[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CCS1(=O)=O 2197721156 BUSFYSFFUPNMGG-ZETCQYMHSA-N 302.268 -0.927 5 10 DBBE N=c1[nH]cc([N+](=O)[O-])c(=NCCS(=O)(=O)C(F)(F)F)[nH]1 2232507363 XQOVFZSSUMTTIO-UHFFFAOYSA-N 315.233 -0.434 5 10 DBBE CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 37322563 FGGJJNLWORPXIK-UHFFFAOYSA-N 303.344 -0.280 5 10 DBBE Cn1c(=O)c2c(nc3n(C)c4ccccc4c(=O)n23)n(C)c1=O 38440708 IWRFDHCQUDMHNG-UHFFFAOYSA-N 311.301 -0.263 5 10 DBBE CC[C@H](C)[C@H](NC(N)=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 122569155 TYRQUKYUGYDDGD-WPRPVWTQSA-N 312.330 -0.010 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CCOCC2)C1 172763028 QFUZCCDDBROWJO-LLVKDONJSA-N 309.326 -0.276 5 10 DBBE CC(C)N1C(=O)C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 270747374 BKUUCXGGYKYECW-ZETCQYMHSA-N 309.282 -0.406 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1C[C@H]2COC[C@@H](C1)O2 594781080 NZFUDUZXHMVHHK-DTORHVGOSA-N 315.307 -0.222 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1nc(N)ncc1[N+](=O)[O-] 696994174 GYHAHSIBZFSXAF-FSPLSTOPSA-N 303.300 -0.809 5 10 DBBE CNC(=O)CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1352953539 AHKUXLMFWYZXLB-UHFFFAOYSA-N 304.266 -0.349 5 10 DBBE C[C@@](CO)(NC(=O)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 1471125801 YGEQEMULUBMBAH-LBPRGKRZSA-N 316.335 -0.037 5 10 DBBE Cc1nc(N2CC[C@@H](CS(N)(=O)=O)C2)ncc1[N+](=O)[O-] 1472891890 LTXCTEQSGFUPFJ-MRVPVSSYSA-N 301.328 -0.192 5 10 DBBE C[C@@H]1CN(CCO)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] 1559211046 FWSFCKJCJCEXCI-SECBINFHSA-N 309.326 -0.409 5 10 DBBE CNC(=O)[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 1567455032 PXTIIVRAQMKEBF-NEPJUHHUSA-N 323.305 -0.398 5 10 DBBE COCCOCCN1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1569488978 DEEBAGKCSUXYMH-VXGBXAGGSA-N 301.343 -0.543 5 10 DBBE Nc1ccc(C(=O)N2CC3(C[C@H](O)CNC3=O)C2)cc1[N+](=O)[O-] 1595697634 ATNNZDFELHAYTJ-VIFPVBQESA-N 320.305 -0.500 5 10 DBBE COC1(OC)CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1O 1627279702 NKZQAIDPKYDADH-MRVPVSSYSA-N 300.271 -0.486 5 10 DBBE Cn1cc(C[C@H](CO)CNC(=O)c2nn(C)cc2[N+](=O)[O-])cn1 1635265797 ORBZFXMCKFXOAI-JTQLQIEISA-N 322.325 -0.357 5 10 DBBE Cc1nn(C)c(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] 1641884801 BQNDCHVGPLAQCX-SECBINFHSA-N 309.326 -0.160 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncn(C)n1 1687462057 ALQMLRPVPWNIKF-RKDXNWHRSA-N 310.314 -0.941 5 10 DBBE CCN(CCNC(=O)c1ncn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688396332 IOBKLNZMYLQHFY-RKDXNWHRSA-N 310.314 -0.941 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])C(=O)NCCN1CC[C@@H](O)C1 1866062093 BDSRFECCWSJIKZ-GFCCVEGCSA-N 321.333 -0.111 5 10 DBBE Nc1cccc(S(=O)(=O)N2C[C@H](O)[C@H](F)C2)c1[N+](=O)[O-] 2149266382 MJESGCPIMSEBOH-SVRRBLITSA-N 305.287 -0.120 5 10 DBBE CN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)N1CC(O)C1 2174798659 VNGUCTHDRXLTKR-UHFFFAOYSA-N 301.324 -0.052 5 10 DBBE CS(=O)(=O)[C@H]1CCC[C@@H]1N=c1[nH]c(=N)[nH]cc1[N+](=O)[O-] 2206001507 QCFMWTGTWXDKRW-XPUUQOCRSA-N 301.328 -0.403 5 10 DBBE Nc1cc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(Cl)cc1[N+](=O)[O-] 2234227699 NBWDTEOEFRPKEF-DCAQKATOSA-N 303.702 -0.267 5 10 DBBE C[C@H](O)CN(CCN)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2285470419 OGJBVXOQLNUXBW-VIFPVBQESA-N 303.340 -0.075 5 10 DBBE CO[C@H](CN)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2365421640 KSXRONLGLULXAE-SSDOTTSWSA-N 304.328 -0.372 5 10 DBBE CN(C)C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 116792666 ZVASHCUXTQIXNO-GFCCVEGCSA-N 311.342 -0.030 5 10 DBBE NNc1sc(S(=O)(=O)N2CC[C@@H](O)C2)cc1[N+](=O)[O-] 157497088 RBVCBOJJQCDFHU-RXMQYKEDSA-N 308.341 -0.303 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] 323302178 OEGQXANULMOOMX-INEUFUBQSA-N 309.325 -0.724 5 10 DBBE C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594766961 ZENBVFMRGWINBA-SSDOTTSWSA-N 323.352 -0.299 5 10 DBBE NC(=O)C(Nc1ncc(Br)cc1[N+](=O)[O-])C(N)=O 695353390 HJTUIWJKOULGSY-UHFFFAOYSA-N 318.087 -0.497 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN([C@H]2CCOC2)CC1 1118785173 ATWGXAODNOETDZ-JTQLQIEISA-N 310.314 -0.881 5 10 DBBE COC(=O)c1cc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)cc([N+](=O)[O-])c1 1151838751 KVODXMQOFRJQGT-NEPJUHHUSA-N 324.289 -0.051 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1=CCOCC1 1283538934 HOAGCENYDYMGDV-VXGBXAGGSA-N 311.338 -0.037 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](O)C[C@H]2CO)s1 1321345710 BXNZBWQHZRSNBH-NKWVEPMBSA-N 322.364 -0.008 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(=O)n(CCO)c1 1328578446 SIRVBUYTBHQGLP-UHFFFAOYSA-N 321.293 -0.108 5 10 DBBE C[C@@H](C(=O)O)C1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1348424010 XIHWIYSMIIUDSP-ZCFIWIBFSA-N 318.311 -0.331 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCCN2C(=O)CNC2=O)n1 1353175958 CUYYJGWWVXIKCG-UHFFFAOYSA-N 310.270 -1.000 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCNC(=O)N(C)C 1446207194 QTTVQZZJPAGLGA-UHFFFAOYSA-N 312.330 -0.171 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCCS(=O)(=O)C1 1586181875 RRIFATCCJQMDOD-SECBINFHSA-N 316.339 -0.207 5 10 DBBE CNC(=O)CN1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1588125281 ZSZHDDPGNKRQJW-UHFFFAOYSA-N 324.341 -0.732 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCS(=O)(=O)C[C@@H]1C 1633017684 AERGXQNXCKUAMG-QMMMGPOBSA-N 316.339 -0.255 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 1637479557 GZZSHFNJTXOMKR-SFYZADRCSA-N 314.323 -0.175 5 10 DBBE CN(C)C(=O)CNCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 1732229056 NETHHONJFCCPIR-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE NCCCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1859459375 NPMIBOBBKWZZHC-UHFFFAOYSA-N 306.278 -0.344 5 10 DBBE NC(=O)c1c[nH][nH]c1=NC(=O)C(=O)Cc1ccccc1[N+](=O)[O-] 1866062846 LOAZZVRAJOYZAM-UHFFFAOYSA-N 317.261 -0.411 5 10 DBBE O=C(N[C@H]1CS(=O)(=O)C[C@H]1O)c1csc([N+](=O)[O-])c1 2121332342 DIKUZQIMCVTYNY-NKWVEPMBSA-N 306.321 -0.456 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCNNCC1 2152175160 GJMRHLCMQNZKPO-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE NC[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2154121599 ZLVJWBYNHFOMAK-KWQFWETISA-N 301.324 -0.153 5 10 DBBE Nc1[nH]c(=NCCNS(=O)(=O)C2CC2)ccc1[N+](=O)[O-] 2158551711 OGTAHLJSKBIQKN-UHFFFAOYSA-N 301.328 -0.512 5 10 DBBE CO[C@@H]1C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 2188221329 PCBZVTHYBACTRL-VXNVDRBHSA-N 302.312 -0.054 5 10 DBBE CN(CC(N)=O)S(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235870493 HAZISAKNMXEJKR-UHFFFAOYSA-N 309.250 -0.021 5 10 DBBE CS(=O)(=O)C[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] 2360519413 KFWAFXQDLSIBHN-SECBINFHSA-N 301.324 -0.417 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N1C[C@@H](O)[C@H](O)C1 236532046 KSQYJAJDSAUAAW-RKDXNWHRSA-N 306.271 -0.540 5 10 DBBE O=C(CN1C[C@H](O)C[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 248390231 HRDGXCFVLHKBSI-QWHCGFSZSA-N 321.333 -0.089 5 10 DBBE O=C1[C@@H]2CCCCN2C(=O)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 438793701 RBDSPZZDGCBSSU-QWRGUYRKSA-N 323.309 -0.031 5 10 DBBE C[C@H](O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 593606808 CAOKWBHZHMKBMM-WPRPVWTQSA-N 317.323 -0.240 5 10 DBBE C[C@H](Cn1cncn1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594760244 PGSBLGMAGPJJAE-MRVPVSSYSA-N 312.311 -0.052 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNc1ccccc1[N+](=O)[O-] 600241188 KTBGVRJPSPFUIR-KCJUWKMLSA-N 308.294 -0.546 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccc([N+](=O)[O-])c(N)n1 697270015 MQTYPZFNEQPZIJ-HTRCEHHLSA-N 302.312 -0.204 5 10 DBBE O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1[C@H]2COC[C@H]21 851113975 DPDIKZNJZLLUJC-MBTKJCJQSA-N 313.291 -0.313 5 10 DBBE O=C(CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)NC1CC1 1273084184 FMVPVBMGTRRCFA-GHMZBOCLSA-N 310.354 -0.441 5 10 DBBE O=C(NC[C@@]1(CO)COCCN1)c1ccc([N+](=O)[O-])cc1O 1471179553 XDQUMOOKBXGGAT-CYBMUJFWSA-N 311.294 -0.619 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN3C[C@@H](F)C[C@H]3C2)c1 1473859390 JKMSRHVUTKISNH-GMXVVIOVSA-N 313.333 -0.120 5 10 DBBE NC(=O)C(=O)NC1(CCO)CN(Cc2ccc([N+](=O)[O-])cc2)C1 1570763857 SINJURUBXSAGFV-UHFFFAOYSA-N 322.321 -0.867 5 10 DBBE CC(=O)N[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1638448680 CKBGXKLPTZNEGU-JTQLQIEISA-N 308.294 -0.507 5 10 DBBE COc1nccc(CNCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1714704570 SKBBTVCJZCAQBY-GHMZBOCLSA-N 309.326 -0.302 5 10 DBBE COCCC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1718853092 LVIVDKOIVXFCGK-VXGBXAGGSA-N 311.338 -0.037 5 10 DBBE CNS(=O)(=O)CCN(C)C(=O)c1cc([N+](=O)[O-])cn1C 1963385507 WDFAVCBAHYHONW-UHFFFAOYSA-N 304.328 -0.446 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NCCn1cc(Br)nn1 2072770990 TZMAFWMUPRFZCF-UHFFFAOYSA-N 317.107 -0.389 5 10 DBBE NNc1cc(NC[C@@H]2CCS(=O)(=O)N2)cc([N+](=O)[O-])c1 2146208056 NPFAFQTVECQLPC-ZETCQYMHSA-N 301.328 -0.016 5 10 DBBE CN(CC(CO)CO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2150416892 WMEUCQPMXVXMBF-UHFFFAOYSA-N 304.324 -0.184 5 10 DBBE CN(C)C(=O)CCCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156813329 VCZJOMOSGIZKBM-UHFFFAOYSA-N 305.316 -0.693 5 10 DBBE O=[N+]([O-])C1CN(S(=O)(=O)c2cc(CO)n(C3CC3)c2)C1 2191527457 DOZSRDOPNVVOCF-UHFFFAOYSA-N 301.324 -0.035 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 2192663269 WGMKPTLRPUAIGC-CBAPKCEASA-N 301.328 -0.631 5 10 DBBE Cc1nc(NS(=O)(=O)C[C@@H](N)C(=O)O)ccc1[N+](=O)[O-] 2286057180 GCMJZNJOUPKQDT-ZCFIWIBFSA-N 304.284 -0.548 5 10 DBBE CCN(CCO)c1ncnc(N2CCN(C)CC2)c1[N+](=O)[O-] 40610383 ALHMJXJMUFEAAB-UHFFFAOYSA-N 310.358 -0.045 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)CC1=O 132803678 SAOMUSQVHJAENL-UHFFFAOYSA-N 314.323 -0.360 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 157479370 HAKCYMHIDVNEPZ-SCSAIBSYSA-N 323.356 -0.645 5 10 DBBE CNc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C(N)=O 313714342 UXPKIKNKKCYTGU-ZCFIWIBFSA-N 302.312 -0.211 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1c1ncnc2ccc([N+](=O)[O-])cc12 599143397 QGHPUCPWEFMAHO-KCJUWKMLSA-N 303.278 -0.037 5 10 DBBE Cn1nnc2c1CC[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C2 1143660052 JTJWRRFVODULCF-ZETCQYMHSA-N 305.298 -0.256 5 10 DBBE C[C@](CO)(NCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 1307999061 FHZDGLBGWUGNRA-CQSZACIVSA-N 322.321 -0.056 5 10 DBBE CC[C@@](C)(OC)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1351533150 XVSQBQPIHCXGAQ-SNVBAGLBSA-N 320.327 -0.052 5 10 DBBE Nc1ncc(C(=O)N2CCN3CCOC[C@H]3C2)cc1[N+](=O)[O-] 1567417259 NPCQHVHPMSUKCB-SNVBAGLBSA-N 307.310 -0.271 5 10 DBBE O=C(Nc1ccn(CCN2CCNC2=O)n1)[C@@H]1C[C@H]1[N+](=O)[O-] 1626534546 ZLJVKBCRHNZTMI-RKDXNWHRSA-N 308.298 -0.488 5 10 DBBE CC(C)C(=O)NCCOCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1679604502 TVSBFIKIOXJFDP-GHMZBOCLSA-N 301.343 -0.101 5 10 DBBE CC(=O)NCC(=O)N(C)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1733297296 BZLWMUYYVYBMQN-UHFFFAOYSA-N 324.341 -0.893 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cn(C)cn1 1745308647 VASQUOHNPHTSAS-MWLCHTKSSA-N 309.326 -0.336 5 10 DBBE N[C@@H]1COCCN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2152197967 UUMBMCWIKZGJHY-QMMMGPOBSA-N 302.312 -0.662 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cs1 2192657882 OSJRDLJJHWSIJA-IONNQARKSA-N 319.364 -0.229 5 10 DBBE O=[N+]([O-])c1cnc(N2CC[C@@](O)(CO)[C@H](O)C2)c(Cl)c1 2234102907 APLVEADOIQLXJX-MWLCHTKSSA-N 303.702 -0.062 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@@H]2COC[C@@H]2S(C)(=O)=O)[nH]1 2239002453 VJTAMMHIUGZCIX-APPZFPTMSA-N 304.328 -0.543 5 10 DBBE C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O 20020490 PEGUIDNKOHOUIF-ANLVUFKYSA-N 320.279 -0.587 5 10 DBBE C[C@@H](O)[C@@H](N)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 80754676 TWPIURHRCMUXST-SVRRBLITSA-N 304.328 -0.638 5 10 DBBE NS(=O)(=O)c1ccc(NCCOCC(=O)O)c([N+](=O)[O-])c1 93228750 SAVLXAGNCMPWSV-UHFFFAOYSA-N 319.295 -0.245 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 159063052 MFLYYKRZLCGAJW-GOSISDBHSA-N 307.353 -0.166 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCO[C@H](CO)C2)cc1[N+](=O)[O-] 167247043 PJFYEPCKULEOOP-QMMMGPOBSA-N 317.323 -0.441 5 10 DBBE COC[C@@H](C(N)=O)N(C)C(=O)CCn1cc([N+](=O)[O-])nc1C 354678423 XCVIYVOIGKXABT-VIFPVBQESA-N 313.314 -0.551 5 10 DBBE CCn1cc(S(=O)(=O)NCCOCCNC)c([N+](=O)[O-])n1 599107187 JZVNNCVVBHALKM-UHFFFAOYSA-N 321.359 -0.675 5 10 DBBE O=C(NC[C@H]1CNC[C@H]1O)c1cc([N+](=O)[O-])cnc1Cl 702813679 NDTNYKDIYDQUSB-HZGVNTEJSA-N 300.702 -0.047 5 10 DBBE O=C(O)[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 725374082 GBWHYFHSOADYQP-NXEZZACHSA-N 315.307 -0.454 5 10 DBBE CNC(=O)NC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CCO1 1118810484 IZHNMJGPXIKEQO-VIFPVBQESA-N 310.314 -0.173 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@@H]1CCCN2CCO 1158509603 XHAVOOLPMFULMG-OLZOCXBDSA-N 323.353 -0.151 5 10 DBBE COc1cccc(C(=O)NC[C@@H](O)Cn2ccnn2)c1[N+](=O)[O-] 1161187800 DKBPDDIXHOEMGN-SECBINFHSA-N 321.293 -0.014 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](O)C[C@]1(C)CO 1167396656 FSSKGXINYOCDLS-ZWNOBZJWSA-N 312.326 -0.166 5 10 DBBE Nc1nnn(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)n1 1566267255 UIDRCGBHVNJJGG-UHFFFAOYSA-N 303.282 -0.252 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(C[C@H]2CCNC(=O)CC2)c1=O 1640835555 ZGVJWTQMDSKMCV-MRVPVSSYSA-N 308.294 -0.228 5 10 DBBE COC(=O)[C@H]1CN(C)C(=O)CN1Cc1cn(C)nc1[N+](=O)[O-] 1648535635 WAPPAWSZDPPPCH-SECBINFHSA-N 311.298 -0.856 5 10 DBBE Cc1cncn1CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720479687 BGOXKMHQRQRTIM-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE CCS(=O)(=O)[C@@H]1CCN(c2ncnc(N)c2[N+](=O)[O-])C1 2179903352 WZQAEFXOFRXDST-SSDOTTSWSA-N 301.328 -0.020 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)[C@@H](CO)C2CC2)n1 2240642347 LKWDAUMAEQWMOJ-JTQLQIEISA-N 304.328 -0.481 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(O)(CCO)C2)cn1 2286172744 OXLQWVPRBSDIPJ-UHFFFAOYSA-N 303.296 -0.892 5 10 DBBE O=C(O)[C@@H](CCO)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 40700032 QJAGJBDGUMGQRH-MRVPVSSYSA-N 322.270 -0.152 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC(CO)CO)ccc1Cl 87752318 HEOMEBCSBRQQME-UHFFFAOYSA-N 310.715 -0.120 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cn1 157393911 RICDCSGBGZEPDV-MRVPVSSYSA-N 302.312 -0.744 5 10 DBBE Cc1cc(C(=O)N2CCN(CC(N)=O)C(=O)C2)ccc1[N+](=O)[O-] 458036919 BBVKHQCVPJWJBO-UHFFFAOYSA-N 320.305 -0.327 5 10 DBBE COCCN1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1=O 547731444 PZQOKEWTZRGBBD-UHFFFAOYSA-N 311.298 -0.361 5 10 DBBE C[C@H](O)[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 565842516 FQHAMMHVKMBQAT-IUCAKERBSA-N 317.323 -0.240 5 10 DBBE CCN1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1=O 593583665 BHNVRABRFFYPCR-UHFFFAOYSA-N 300.296 -0.200 5 10 DBBE CCn1cc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)c([N+](=O)[O-])n1 594867618 LQYBTCSQUIBDKM-ZETCQYMHSA-N 317.327 -0.632 5 10 DBBE Nc1nccc(C(=O)NC[C@@H]2CN3CCCN2CC3)c1[N+](=O)[O-] 597627361 YWAOZBNIKJQKDD-SNVBAGLBSA-N 320.353 -0.308 5 10 DBBE CC(C)NC(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599207175 NGSMLIBJCWFTLP-UHFFFAOYSA-N 305.316 -0.869 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2COCC[C@@H]2O)c1 710964693 XEOBCFQGFCHPJK-UWVGGRQHSA-N 303.296 -0.582 5 10 DBBE CN(CCNC(=O)c1ccnn1C)Cc1c([N+](=O)[O-])ncn1C 1266263066 YYKPXUOJCJABRM-UHFFFAOYSA-N 321.341 -0.076 5 10 DBBE COC(=O)[C@H]1CN(C)C(=O)CN1Cc1cccnc1[N+](=O)[O-] 1308136524 FBKNAZPEUWWQLX-SNVBAGLBSA-N 308.294 -0.195 5 10 DBBE C[C@H](CS(C)(=O)=O)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 1318737182 SAZJZTYBEWYCSH-SSDOTTSWSA-N 305.316 -0.922 5 10 DBBE CN(C)C(=O)Cn1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)cn1 1632422152 TXHMIXAKZTZBOY-UHFFFAOYSA-N 321.297 -0.135 5 10 DBBE O=C1NC(=O)C2(CN(c3ncnc4sc([N+](=O)[O-])cc34)C2)N1 1640529531 HCADLJRFTGJTLO-UHFFFAOYSA-N 320.290 -0.002 5 10 DBBE O=C(Cn1cccc([N+](=O)[O-])c1=O)[C@H]1CCS(=O)(=O)C1 1651796412 BFFVOZHNFLBYAN-QMMMGPOBSA-N 300.292 -0.240 5 10 DBBE CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1691817168 LVYLZRPWMKJYGP-NNYUYHANSA-N 310.354 -0.537 5 10 DBBE CN(CCCNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703556942 HAMXGGBISNCMAG-GHMZBOCLSA-N 309.326 -0.418 5 10 DBBE CCn1ncnc1CNC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1716292172 FDBNRIXNRVMVKH-ANDSXOESSA-N 308.342 -0.275 5 10 DBBE O=[N+]([O-])c1cc2c(NCC(O)(CO)CO)ncnc2s1 1913772488 DGKSPSCDLKDDCF-UHFFFAOYSA-N 300.296 -0.273 5 10 DBBE C[S@@](=O)C1CN(S(=O)(=O)c2c(N)cccc2[N+](=O)[O-])C1 2171958053 XNNBLWHVFYFKNL-LJQANCHMSA-N 319.364 -0.072 5 10 DBBE CCN(C)C(=O)CCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2173770212 MHOGXJXMNYNHFC-UHFFFAOYSA-N 305.316 -0.693 5 10 DBBE Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CN)CO)c1C 2182585591 GDXKXYXMEOQOQF-VIFPVBQESA-N 303.340 -0.190 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1N1CC2(C1)OC[C@@H](O)[C@H]2O 2183637349 LEGWPGSLBWHUAO-VXNVDRBHSA-N 301.686 -0.046 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@H](C)CN(C)C 2232807823 WVXVMFAQCPEVHH-SSDOTTSWSA-N 305.360 -0.055 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 49102104 FIUIZSYYBFRNEZ-ZCFIWIBFSA-N 317.327 -0.707 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1N 110675133 GWNSXBKUCMCKRO-SSDOTTSWSA-N 314.323 -0.314 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2COC[C@@H]2O)c1 323475758 YXAKGVBWQVRQHG-APPZFPTMSA-N 303.296 -0.785 5 10 DBBE C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2O)CCN1CCO 429665927 NVILGWHRRAYSLO-VIFPVBQESA-N 310.310 -0.166 5 10 DBBE C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593587738 XWNUILONTRBLMC-KWQFWETISA-N 317.323 -0.192 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2nccn2C)n1 599273717 HLPOMXLSZULWBP-UHFFFAOYSA-N 300.300 -0.460 5 10 DBBE O=C(c1ccncn1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941013083 ZRKFMBLVRWUKRQ-ZYHUDNBSSA-N 319.321 -0.184 5 10 DBBE CN1CCN(C)[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 1146376788 MLYGGBAHXBVSGX-UONOGXRCSA-N 322.365 -0.010 5 10 DBBE NC(=O)CNCCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 1266083484 CYLVBTXMWDRKNC-CHWSQXEVSA-N 320.349 -0.415 5 10 DBBE CN(CCCN(C)C(=O)C(N)=O)Cc1c([N+](=O)[O-])ncn1C 1280850518 RIOIOLNSLUHUSM-UHFFFAOYSA-N 312.330 -0.906 5 10 DBBE CC[C@@]1(C)NC(=O)N(NC(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 1321205284 XVQQGTSRCRAQJE-LLVKDONJSA-N 310.270 -0.306 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H]1CCCN2CCO 1558702415 RHYZLSWQTPSBGM-WDEREUQCSA-N 323.353 -0.001 5 10 DBBE CN(Cc1nnc2n1CCNC2=O)c1ncccc1[N+](=O)[O-] 1640403761 UCEOXUKFCSWDPJ-UHFFFAOYSA-N 303.282 -0.039 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CN(c2ccncn2)C1 1643986242 ZVPMWBMVVXFYTQ-UHFFFAOYSA-N 317.309 -0.105 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnccn1 1689054547 OYCPCYBPNAQCFH-MWLCHTKSSA-N 307.310 -0.328 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cnc[nH]1 1720480051 HOCKOJSVWMUYQV-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE Cc1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1C 1758928858 DJTHMRMDERSJFI-MWLCHTKSSA-N 309.326 -0.418 5 10 DBBE Cn1ncc(C2OCCO2)c1S(=O)(=O)N1CC([N+](=O)[O-])C1 2071557959 GDJRAOZYWHXSGL-UHFFFAOYSA-N 318.311 -0.885 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC[C@H]2[C@@H](O)CO)c1 2286222236 UKBSRYAQEARCJS-UWVGGRQHSA-N 303.296 -0.894 5 10 DBBE Nc1ccc(S(=O)(=O)NC[C@H]2CCC(=O)N2)c([N+](=O)[O-])c1 79937877 MZIBXQSKFHJMCQ-MRVPVSSYSA-N 314.323 -0.266 5 10 DBBE C[C@](O)(CO)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 90287570 QKDMIOUXAUMGJQ-LLVKDONJSA-N 304.324 -0.243 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CNC(=O)C2)c1 229363359 HMDBJTSTJCPINH-ZETCQYMHSA-N 300.296 -0.656 5 10 DBBE C[C@](CO)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 313526449 WSAQFWAXVRZTCB-SNVBAGLBSA-N 304.280 -0.291 5 10 DBBE CCN(C[C@@H](O)C(F)(F)F)C(=O)Cn1cnc([N+](=O)[O-])n1 428504011 RPNRJIMMPYNCHU-ZCFIWIBFSA-N 311.220 -0.042 5 10 DBBE O=C(C1CC1)[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 548390474 DCCKCMLBSHYEJQ-SNVBAGLBSA-N 308.294 -0.002 5 10 DBBE COC[C@](C)(O)CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 582296689 RHYZXJCUYVFMRD-NWDGAFQWSA-N 302.331 -0.471 5 10 DBBE C[C@@H]1NCCC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599103976 YKKZUDBMLGIVST-YUMQZZPRSA-N 303.344 -0.253 5 10 DBBE N[C@]1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1 688511410 DUHIWTIVCVTTQU-NSHDSACASA-N 301.324 -0.009 5 10 DBBE NS(=O)(=O)c1cn(CCO[C@@H]2CC2(F)F)nc1[N+](=O)[O-] 689033980 QPOFOOHIZYGKAD-ZCFIWIBFSA-N 312.254 -0.137 5 10 DBBE CN(CCN1CCCS1(=O)=O)Cn1nccc1[N+](=O)[O-] 751934340 LQCHDTHRHTZDDW-UHFFFAOYSA-N 303.344 -0.284 5 10 DBBE O=C1NCCO[C@@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]12 1455088604 AKFPYNAODZWCSZ-SCZZXKLOSA-N 309.282 -0.563 5 10 DBBE O=C(Cc1cnoc1)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1572052317 HIPUPZHKOBCPNS-HJQYOEGKSA-N 322.321 -0.107 5 10 DBBE CS(=O)(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])o2)COC1 1585880458 YPKJVTFJVPKCSQ-UHFFFAOYSA-N 304.280 -0.269 5 10 DBBE C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)CN1CCO 1638333474 FVTOZEICAZJCGJ-NXEZZACHSA-N 311.342 -0.145 5 10 DBBE CNS(=O)(=O)c1ccc(N2CCOCN2)c([N+](=O)[O-])c1 1640432128 UXWGHRXXDGLQFC-UHFFFAOYSA-N 302.312 -0.198 5 10 DBBE Cn1cnnc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1673164706 YNPDVTXZNQJNFG-NXEZZACHSA-N 308.342 -0.391 5 10 DBBE Cc1ccnn1CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1687003678 LFHGWTIYISUCNX-GHMZBOCLSA-N 309.326 -0.521 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2CO)cn1 2146504208 KMTOCBLMOURSTR-VXNVDRBHSA-N 303.296 -0.725 5 10 DBBE N=c1cc(C(=O)NC[C@@H]2CCS2(=O)=O)c([N+](=O)[O-])c[nH]1 2150734288 YBDSRWFGQCJHFV-LURJTMIESA-N 300.296 -0.681 5 10 DBBE C[C@H](CCCn1cc([N+](=O)[O-])c(O)nc1=O)S(=O)(=O)O 2155496729 BXEPQXORLWOAHU-ZCFIWIBFSA-N 307.284 -0.086 5 10 DBBE C[S@@](=O)(=NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1 2159071874 VIBSSOQZQDZMMZ-YBYGRFCBSA-N 301.328 -0.222 5 10 DBBE O=C(CN=c1[nH]c(Cl)ncc1[N+](=O)[O-])N1CCNCC1 2162363286 UCZOAKONSIAVIV-UHFFFAOYSA-N 300.706 -0.696 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)[C@H](N)CO1 2165825270 LHOUSJRLCYHETG-CBAPKCEASA-N 302.312 -0.316 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1Nc1ccnc(O)c1[N+](=O)[O-] 2207460332 KDYITWPMVGGPOJ-HTQZYQBOSA-N 303.296 -0.081 5 10 DBBE Cc1cc(=NCC2(O)CS(=O)(=O)C2)c([N+](=O)[O-])c(C)[nH]1 2283073603 GDWUMWJWBPSZHU-UHFFFAOYSA-N 301.324 -0.400 5 10 DBBE O=C1C[C@@H](NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CO1 2296241903 SVBZYLCTNUHJOH-ZCFIWIBFSA-N 302.264 -0.106 5 10 DBBE CCNC(=O)N1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 157917018 YCONXUNJFWCIFW-SECBINFHSA-N 310.314 -0.289 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 159067088 QVPRKQZYAULWFP-SFHVURJKSA-N 307.353 -0.166 5 10 DBBE CCS(=O)(=O)CCN(C)c1ncc([N+](=O)[O-])cc1C(N)=O 270311789 ZFJAIHNPSONVDZ-UHFFFAOYSA-N 316.339 -0.040 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](O)Cc1ccccc1 345627241 AMDGJTGUMGKDSM-LLVKDONJSA-N 305.294 -0.094 5 10 DBBE NC(=O)c1cn(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)nn1 354738927 YTWZAYBJSOHCJB-UHFFFAOYSA-N 316.277 -0.018 5 10 DBBE C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593565448 IFKKGDWELCCKAO-SCZZXKLOSA-N 317.323 -0.240 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 609737443 IOBASBRHGAQUIR-MRVPVSSYSA-N 316.339 -0.303 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNC[C@@H]2O)cc1 702789182 MDCPWNKFZNXMKJ-KWQFWETISA-N 301.324 -0.547 5 10 DBBE COC(=O)C(=O)[C@@H](C)OC(=O)Cn1cc([N+](=O)[O-])ccc1=O 778307556 HECCORSPPVOTSK-SSDOTTSWSA-N 312.234 -0.570 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)C(C)(C)C(N)=O)C1 1267648666 ADASZKYBODCMPH-UHFFFAOYSA-N 324.341 -0.860 5 10 DBBE CC1(C(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1285937006 VIAJISYPGAQINX-NXEZZACHSA-N 311.338 -0.469 5 10 DBBE NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 1304265822 VABKHPGZYOUMDP-SSDOTTSWSA-N 303.296 -0.062 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3COC[C@@H](C2)O3)n1 1328834907 SKNOIRPGAROKQS-OCAPTIKFSA-N 318.311 -0.883 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCCCNC1=O 1464121135 ICLYTLQFUIPJQE-SECBINFHSA-N 308.294 -0.459 5 10 DBBE Cc1noc(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1 1583597274 VPGUEFYBLXWRBX-UHFFFAOYSA-N 307.266 -0.193 5 10 DBBE O=C(NC[C@]12COCCN1C(=O)OC2)c1cc([N+](=O)[O-])c[nH]1 1643884705 UQBIFPNRIJEKIT-GFCCVEGCSA-N 310.266 -0.126 5 10 DBBE O=C(O)CCS(=O)(=O)CCn1cccc([N+](=O)[O-])c1=O 2145532596 SXFPDAFSIJMSMC-UHFFFAOYSA-N 304.280 -0.354 5 10 DBBE CNS(=O)(=O)c1ccc(N(O)CC(=O)O)c([N+](=O)[O-])c1 2163579684 QMTWPMGIFTVMFD-UHFFFAOYSA-N 305.268 -0.217 5 10 DBBE Cc1ccnc([N+](=O)[O-])c1OCCOCCS(N)(=O)=O 2238457247 VHTWAEPMJGUQJN-UHFFFAOYSA-N 305.312 -0.018 5 10 DBBE O=C(O)[C@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 88664030 IZBPPJAMYVQPNQ-MRVPVSSYSA-N 316.295 -0.963 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)NN2CCOCC2)c1 150112038 YCQNTIAXWUSXER-UHFFFAOYSA-N 302.312 -0.298 5 10 DBBE CC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 157564691 PCOZCTRSLNLXJD-UHFFFAOYSA-N 308.341 -0.347 5 10 DBBE Cc1cc(OCCC(N)=O)c([N+](=O)[O-])cc1S(N)(=O)=O 216066927 UHSNBTAILGAFCJ-UHFFFAOYSA-N 303.296 -0.195 5 10 DBBE CN1CCN(Cc2ccc(NN)c([N+](=O)[O-])c2)S1(=O)=O 312346421 HOYGJBUPJAVZEZ-UHFFFAOYSA-N 301.328 -0.127 5 10 DBBE CN(Cc1nnnn1C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 342242909 WJSZDTMSOCYINM-UHFFFAOYSA-N 308.302 -0.292 5 10 DBBE Cn1[nH]c(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nc1=O 354322504 SGRGUOVWEMKETC-UHFFFAOYSA-N 303.234 -0.187 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(=O)NC)CC2)n1 427619053 VGRCJCHBICYYHB-UHFFFAOYSA-N 324.341 -0.685 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C(=O)NC[C@@H]2C1 431827194 BTTFLWBCGKTJOP-MRVPVSSYSA-N 306.282 -0.698 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC(=O)N1C 593591719 LZVGROPBUWLVOX-MRVPVSSYSA-N 314.323 -0.159 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H](O)[C@H]1CCCO1 600239631 UBAXDHIEOQYUMN-WDEREUQCSA-N 311.294 -0.587 5 10 DBBE N[C@]1(CNS(=O)(=O)c2cncc([N+](=O)[O-])c2)CCOC1 688510826 ARMQBGZDLGCSHJ-JTQLQIEISA-N 302.312 -0.614 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNC[C@@H]2O)cc1F 699963823 XEOMURBFFXXVGN-WPRPVWTQSA-N 305.287 -0.655 5 10 DBBE CN(CCS(C)(=O)=O)S(=O)(=O)c1ncccc1[N+](=O)[O-] 1261579252 FMBCLTXJDROHQX-UHFFFAOYSA-N 323.352 -0.345 5 10 DBBE CCNC(=O)N1CC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 1341459116 GJYIHVOBFYSCLJ-MRVPVSSYSA-N 310.314 -0.138 5 10 DBBE Cc1c[nH]c(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1357225001 PYNPCKXQBGSOCF-NXEZZACHSA-N 309.326 -0.086 5 10 DBBE CS(=O)(=O)NCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1443702482 MOZMFRGGZDQTEP-JTQLQIEISA-N 317.323 -0.706 5 10 DBBE C[C@@H](C[S@@](C)=O)N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1446794716 OUAIVNITGISWLJ-JLTPVHFHSA-N 315.351 -0.018 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCC1CCS(=O)(=O)CC1 1447316958 YHKROTGNLGFZOD-UHFFFAOYSA-N 317.327 -0.873 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2ncnc(O)c2C1 1567762323 NOCFMRHCPAOZBL-UHFFFAOYSA-N 305.254 -0.733 5 10 DBBE C[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)N1CCN(C)CC1 1628265828 XGNSSJLRLCGIAP-SNVBAGLBSA-N 322.369 -0.062 5 10 DBBE Cn1cc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C2CC2)n1 1686589037 GLGNKGDMLDAUJO-MWLCHTKSSA-N 321.337 -0.191 5 10 DBBE O=C1NC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])O1 1963623055 MSMBUJWYLRZCQR-SSDOTTSWSA-N 301.280 -0.019 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCC2OCCO2)ccc1O 2019440685 ZZUVXBXOOAFHIJ-UHFFFAOYSA-N 304.280 -0.048 5 10 DBBE O=c1ccn(CC2(O)CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 2169657112 RQYVZHPSZHCNLC-UHFFFAOYSA-N 302.308 -0.304 5 10 DBBE O=Cc1cc(N2CC3(C2)OC[C@H](O)[C@H]3O)c([N+](=O)[O-])s1 2183626336 HDELWBAZPLFZRW-DTWKUNHWSA-N 300.292 -0.220 5 10 DBBE O=[N+]([O-])c1ccc(N2CCS(=O)(=O)CCN2)c(CO)c1 2205288851 XHSSHYLJIMQONH-UHFFFAOYSA-N 301.324 -0.174 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1N=c1ccc(N)c([N+](=O)[O-])[nH]1 2207470269 LDEVFZVVJNXVAP-SFYZADRCSA-N 302.312 -0.782 5 10 DBBE NS(=O)(=O)c1cn(C[C@]23COC[C@H](C2)C3)nc1[N+](=O)[O-] 2236443328 XOFPJERFEIEKDB-WKFQBHICSA-N 302.312 -0.135 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNC(=O)[C@@H](N)CP(C)(C)=O)n1 2360590392 KOQHNEMCBUGIDO-ZETCQYMHSA-N 303.259 -0.106 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2CCCNC2=O)c([N+](=O)[O-])c1 50661717 LOSBKZDMNCCKMK-QMMMGPOBSA-N 314.323 -0.266 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2nc[nH]n2)c1 80644956 WNDABHUUJADTFT-UHFFFAOYSA-N 313.299 -0.523 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 126691125 FLNQWTZCVNIKMN-UHFFFAOYSA-N 317.327 -0.705 5 10 DBBE Nc1cc(S(=O)(=O)NC[C@@H]2COCCO2)ccc1[N+](=O)[O-] 132048244 GXTBJWFGTGEIIV-MRVPVSSYSA-N 317.323 -0.129 5 10 DBBE C[C@H](O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 157494033 XBHAILVFESFJOI-YFKPBYRVSA-N 310.357 -0.057 5 10 DBBE O=C1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CC1 610497417 DIBFEYWDHQDFKP-LBPRGKRZSA-N 309.326 -0.541 5 10 DBBE NS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1F 700844185 CSOCDEOKHRILPB-UHFFFAOYSA-N 309.250 -0.109 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCOC[C@H]1CCO 765429330 PFPUBWFRWNASHG-LLVKDONJSA-N 311.294 -0.634 5 10 DBBE Cc1nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(=O)NCCO)n1C 834411495 PKQATSADNHHZKP-HTQZYQBOSA-N 311.298 -0.946 5 10 DBBE C[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)O1 859160562 QQXZOKHNIQHWCD-NTSWFWBYSA-N 304.284 -0.689 5 10 DBBE COC(=O)[C@@H](CC(F)F)NC(=O)Cn1cnc([N+](=O)[O-])n1 1116409247 VQWRUDKVZZBUKN-RXMQYKEDSA-N 307.213 -0.501 5 10 DBBE CCCn1cc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1296216882 ARAASWPAVVDXHR-MWLCHTKSSA-N 324.341 -0.459 5 10 DBBE COCC1(O)CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 1307126664 HSGZPOJYALADRO-UHFFFAOYSA-N 317.323 -0.560 5 10 DBBE CC(C)(CCC(=O)NCCOCCS(C)(=O)=O)[N+](=O)[O-] 1360673728 PNSDOHYBBMFTIK-UHFFFAOYSA-N 310.372 -0.001 5 10 DBBE CNC(=O)CN1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 1638873259 FFJMJTHTMHMOKN-UHFFFAOYSA-N 324.341 -0.928 5 10 DBBE CCOC(=O)[C@H](COC)NC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 1644748186 YBJITTKDAUAYMW-ZETCQYMHSA-N 300.271 -0.066 5 10 DBBE C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1(O)CNC1 1918664754 AFSHMHPOBKBUHG-QMMMGPOBSA-N 301.324 -0.404 5 10 DBBE O=C(CN1CCS(=O)(=O)CCO1)c1cc([N+](=O)[O-])c[nH]1 2146481527 NOFAVTBZGFFBGU-UHFFFAOYSA-N 303.296 -0.232 5 10 DBBE CNS(=O)(=O)CCN(C)c1cccc(NN)c1[N+](=O)[O-] 2151038860 MBKBTUCIDMBXFJ-UHFFFAOYSA-N 303.344 -0.134 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@@H]2O)n1 2186550811 BTLHJVVCQJMDBH-NVCUEICFSA-N 302.227 -0.206 5 10 DBBE Cc1nc(CS(=O)(=O)C[C@H](N)C(=O)O)ccc1[N+](=O)[O-] 2195331056 RWFIXZVRQIPHFG-QMMMGPOBSA-N 303.296 -0.375 5 10 DBBE CCc1ncc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@@H]2N)n1 2286673267 DPKOTLHPGWJJRU-XPUUQOCRSA-N 302.312 -0.550 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC2CNCCNC2)c1 2287598649 HSUIDLAFJQFALW-UHFFFAOYSA-N 300.340 -0.566 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCNC(=O)C2)c1 50649841 QAMREOPGALWSPG-UHFFFAOYSA-N 300.296 -0.703 5 10 DBBE C[C@@H](O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 70302055 HKJOHGBTMKVKCD-XRGYYRRGSA-N 305.268 -0.898 5 10 DBBE Cc1nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c(C)c1[N+](=O)[O-] 116869122 BHVPRSTZCYYHBM-SNVBAGLBSA-N 317.371 -0.011 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 160960821 YVZAOOARZMQKBO-UHFFFAOYSA-N 304.284 -0.753 5 10 DBBE Cn1cc([N+](=O)[O-])c(=NC2CCN(S(C)(=O)=O)CC2)[nH]1 400218470 WCUZVLPRFLHCJO-UHFFFAOYSA-N 303.344 -0.414 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N2CCNCC2)n1 569234322 WVTJAVARLKEOGG-UHFFFAOYSA-N 324.341 -0.685 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 598027014 IHWKQEHVHFAGLB-ZJUUUORDSA-N 315.307 -0.468 5 10 DBBE CO[C@]1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCOC1 599278660 LZIDMPWORIDJGJ-JTQLQIEISA-N 320.327 -0.588 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1C[C@@H](O)C[C@@H](O)C1 611024324 BBOPMPNBXDCYEV-OCAPTIKFSA-N 320.298 -0.150 5 10 DBBE CNC[C@H](O)CN(C)S(=O)(=O)c1cncc([N+](=O)[O-])c1 708892827 MYHYJQWAITZLFT-VIFPVBQESA-N 304.328 -0.809 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN2CCCC2)n1 1160334102 KPHCHOQGGPDIPJ-JTQLQIEISA-N 311.342 -0.002 5 10 DBBE CN=[S@@](C)(=O)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1168161316 WPENEZQTEKFGEF-NRFANRHFSA-N 316.339 -0.400 5 10 DBBE COCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1356301641 IEWWLWDUBFLKLW-IVZWLZJFSA-N 306.340 -0.686 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCCN2CCO 1472259698 SUKOUAKDGAUYGL-WDEREUQCSA-N 309.326 -0.011 5 10 DBBE Cn1nc(C2CC2)cc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1575139003 AKAZLUYBEVRROG-MWLCHTKSSA-N 321.337 -0.191 5 10 DBBE Cc1nn(C)c(C(=O)N2CCC(NC(N)=O)CC2)c1[N+](=O)[O-] 1610961547 CQWHCUBIOIQLLS-UHFFFAOYSA-N 310.314 -0.090 5 10 DBBE O=C(CN1C[C@@H](CO)[C@@H](O)C1)N1CCc2cc([N+](=O)[O-])ccc21 1646102473 ZHZJQYPTHCKYPJ-FZMZJTMJSA-N 321.333 -0.231 5 10 DBBE Cn1cc(CN2CCN(C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])n1 1652636555 FKUCNDVCEFMJDV-UHFFFAOYSA-N 310.358 -0.290 5 10 DBBE O=C(CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CC1 1666283707 REZOXJHAFJHBCO-OJAKKHQRSA-N 324.381 -0.053 5 10 DBBE Cc1cc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 1675076172 CBAKGSDWWJVWKH-VXGBXAGGSA-N 324.337 -0.299 5 10 DBBE Cc1cnc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 1675076641 QUSCUEASRWHDRU-GHMZBOCLSA-N 324.337 -0.299 5 10 DBBE CN1C[C@H](O)[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 2146512363 BGIHNTASHKLNAC-QWRGUYRKSA-N 301.324 -0.452 5 10 DBBE NS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1C(=O)O 2157525012 HRGBJOOLXIEOFK-UHFFFAOYSA-N 304.284 -0.502 5 10 DBBE COc1ccc(NS(=O)(=O)N2CC(N)C2)c([N+](=O)[O-])c1 2159021843 BFLRDHPFJMQLLV-UHFFFAOYSA-N 302.312 -0.097 5 10 DBBE O=C(O)C1CN(S(=O)(=O)Nc2cc([N+](=O)[O-])ccn2)C1 2202451319 ZLYANOXQCFFVPF-UHFFFAOYSA-N 302.268 -0.337 5 10 DBBE CN(CC(=O)O)S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O 213420572 LFSONNXMJNUIJR-UHFFFAOYSA-N 305.268 -0.027 5 10 DBBE NC(=O)CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 294382205 CLALTISTQVWYRN-UHFFFAOYSA-N 320.305 -0.245 5 10 DBBE Cc1ccc(S(=O)(=O)N(C)C[C@H](O)CN)cc1[N+](=O)[O-] 313448589 BMNUZBNEEWWSRB-SECBINFHSA-N 303.340 -0.157 5 10 DBBE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 375981436 VVCGWSCUVCUUNV-OPRDCNLKSA-N 305.356 -0.466 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)N1 599096942 CEQVLGMUJQLIPW-HTQZYQBOSA-N 303.344 -0.301 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3(N)C2)n1 599100752 MXVMNQFZYYKMEM-GZMMTYOYSA-N 315.355 -0.170 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CNC[C@@H]2O)ccc1F 699962993 PJANGPUJAAGTGW-WPRPVWTQSA-N 305.287 -0.655 5 10 DBBE NNc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nn[nH]n1 709897243 WASGCRQBEOOSSX-UHFFFAOYSA-N 300.260 -0.806 5 10 DBBE O=C(c1nc[nH]n1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941012646 HRTKBMUALJSUJK-RKDXNWHRSA-N 308.298 -0.856 5 10 DBBE Cc1nn[nH]c1C(=O)NCCN(C)Cc1c([N+](=O)[O-])ncn1C 1266306578 XYXXONFYAFGRKA-UHFFFAOYSA-N 322.329 -0.383 5 10 DBBE NC(=O)C(=O)NC1(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 1488604953 OKCBHBDWEAYVGB-NXEZZACHSA-N 324.337 -0.976 5 10 DBBE CON(C)C[C@@H](O)Cn1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1623158665 YDMBJWBGSNXOGT-GMTAPVOTSA-N 313.314 -0.659 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN2C(=O)OC[C@@H]2C1 1635509453 LKZFLBZBMVEQOX-VIFPVBQESA-N 322.277 -0.581 5 10 DBBE CCn1nccc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1738491568 NYQJOMYICFVBDR-ISBNUJHVSA-N 321.337 -0.030 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cncnc1O 1759557349 IJQKXFAHZVFHBZ-PSASIEDQSA-N 323.309 -0.622 5 10 DBBE CN(CC(CO)CO)S(=O)(=O)c1cncc([N+](=O)[O-])c1 2150414697 GZQHGNVTCVTSHY-UHFFFAOYSA-N 305.312 -0.789 5 10 DBBE NCCN(CCN)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2152186423 IWLMJPGHYNVAFV-UHFFFAOYSA-N 306.319 -0.358 5 10 DBBE NCCOCCNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2156030931 HFVUVFMYTJHJHG-UHFFFAOYSA-N 307.303 -0.013 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC(F)(CO)C1 2172924928 PCFGIKJCTARPEP-UHFFFAOYSA-N 305.287 -0.118 5 10 DBBE Nc1cc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)c(F)cc1[N+](=O)[O-] 2183885161 KGLCLMXDSLPRIG-SCZZXKLOSA-N 305.287 -0.114 5 10 DBBE CS(=O)(=O)N1CC(CN=c2[nH]c(Cl)ncc2[N+](=O)[O-])C1 2233068842 VDGHZOQVSWWXHZ-UHFFFAOYSA-N 321.746 -0.237 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@@H]2N)n1 2239006175 IDUFFDLKNOOZHQ-IONNQARKSA-N 304.328 -0.125 5 10 DBBE NCCCN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1 2281158511 DGFXKTSYWBQIQQ-UHFFFAOYSA-N 303.340 -0.073 5 10 DBBE CC(=O)NCCNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F 50656038 CCOKJQIPEQVXBD-UHFFFAOYSA-N 320.302 -0.270 5 10 DBBE Cn1cc([N+](=O)[O-])c(=O)n(C[C@@H](O)CNC(C)(C)C)c1=O 123526359 NUXOBUZMGHEFGG-QMMMGPOBSA-N 300.315 -0.796 5 10 DBBE Nc1cccc(S(=O)(=O)N(CCO)CCO)c1[N+](=O)[O-] 126942370 ZZGIUTCYZJJJLJ-UHFFFAOYSA-N 305.312 -0.848 5 10 DBBE C[C@@H](O)CNCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 132226881 ZPWWJPKRQYMGIX-MRVPVSSYSA-N 321.330 -0.017 5 10 DBBE COCCC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)O 158482896 BNAQMGVTLRZMLH-MRVPVSSYSA-N 300.271 -0.213 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C(=O)CC[C@@H]2C1 345175215 QJFKJQSPTWGCKB-MRVPVSSYSA-N 305.294 -0.100 5 10 DBBE COC(=O)c1ccc(S(=O)(=O)NC2CNC2)cc1[N+](=O)[O-] 566678052 NVULQQWAFIDNQA-UHFFFAOYSA-N 315.307 -0.369 5 10 DBBE CNc1nccc(C(=O)N2CCn3nncc3C2)c1[N+](=O)[O-] 576171377 MCBBNRZHMLUZFM-UHFFFAOYSA-N 303.282 0.279 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCNCC2)n1 599108787 ODSDSDIMJNQUJX-MRVPVSSYSA-N 303.344 -0.251 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CN2CCCN1CC2 619873506 JNXQOLPSBUBQAD-LBPRGKRZSA-N 322.369 -0.313 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](CO)c1cnn(C)c1 1137943233 UNQVFXULLOYPCJ-JTQLQIEISA-N 308.298 -0.317 5 10 DBBE O=C1NCCO[C@@H]2CCCN(C(=O)c3c[nH]nc3[N+](=O)[O-])[C@H]12 1152823629 PXDPMZSJGFGYTN-BDAKNGLRSA-N 309.282 -0.563 5 10 DBBE CNC(=O)[C@@H](O)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 1183185454 OZVHRNIYWAWCHW-LBPRGKRZSA-N 320.305 -0.227 5 10 DBBE CN(CCNC(=O)c1cnn2c1CCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296115086 PMRJYVXFJVWEEK-BXKDBHETSA-N 321.337 -0.317 5 10 DBBE O=C1NCC[C@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]12 1303006966 AHIOQEWAOIHYKP-SKDRFNHKSA-N 307.310 -0.082 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCNC[C@H]1C(F)F 1328523415 BDTVDIVXAMZQFZ-QMMMGPOBSA-N 316.264 -0.178 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1nnc2n1CCC2 1440901179 KQYYMKZFVKYCJV-UHFFFAOYSA-N 318.293 -0.389 5 10 DBBE Cn1cc(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cn1 1541109296 IJTSTCMNLHNFEE-UHFFFAOYSA-N 305.294 -0.151 5 10 DBBE CCc1nn(C)cc1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1580855239 VKCFBQSHYHKNOY-BXKDBHETSA-N 323.353 -0.164 5 10 DBBE COc1ccc([N+](=O)[O-])c(N2CCS(=O)(=O)CCN2)n1 2146659554 ADWYHXXYPBLAOZ-UHFFFAOYSA-N 302.312 -0.262 5 10 DBBE CN(C)S(=O)(=O)c1nccn1-c1c([N+](=O)[O-])ncn1C 2179130809 SXAIZHGDUNSISN-UHFFFAOYSA-N 300.300 -0.236 5 10 DBBE O=[N+]([O-])c1c[nH]ccc1=NS(=O)(=O)N1CCC[C@@H]1CO 2202439066 CPJALHWWQWBRLR-MRVPVSSYSA-N 302.312 -0.475 5 10 DBBE CCOC(=O)CS(=O)(=O)NCc1nn(C)cc1[N+](=O)[O-] 2290107812 ZKYBODYCUUEYHS-UHFFFAOYSA-N 306.300 -0.689 5 10 DBBE Nc1ccc([N+](=O)[O-])c(NC[C@H]2NC[C@@H](O)[C@H]2O)c1Cl 2358562787 LOFNBNLTDOEGMN-HLEGCSNESA-N 302.718 -0.064 5 10 DBBE Cn1ncnc1COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 88580533 BALZFWSIYAPXPD-UHFFFAOYSA-N 313.295 -0.050 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2C=CS(=O)(=O)C2)c1 88856969 JAQFPEGYQLOUPD-WCBMZHEXSA-N 302.312 -0.948 5 10 DBBE NNc1cc(S(=O)(=O)NN2CCOCC2)ccc1[N+](=O)[O-] 148567518 DBZTYQNYAGATDA-UHFFFAOYSA-N 317.327 -0.594 5 10 DBBE O=C(O)[C@H](O)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 230097901 ADQOTMSLLRBLMQ-MRVPVSSYSA-N 304.280 -0.291 5 10 DBBE O=C1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C(=O)N1 269612866 RWKJIEKZVJZGTQ-MRVPVSSYSA-N 307.262 -0.105 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCn3c(O)nnc3C2)n1 427683025 QFQGBXSNTXQGLU-UHFFFAOYSA-N 307.270 -0.236 5 10 DBBE COC[C@]1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 599692664 LGLPCMUXQCHFOT-STQMWFEESA-N 314.342 -0.111 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CN)COC1 705642914 RYOULXDAOZNPPP-UHFFFAOYSA-N 301.324 -0.091 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CNOC1 722499776 DAEZKMDLKTUOSL-ZETCQYMHSA-N 303.296 -0.215 5 10 DBBE CNS(=O)(=O)NC1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 1186325347 FWVXIYJKEMJAOK-UHFFFAOYSA-N 318.359 -0.649 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCN2C(=O)NC(=O)[C@@H]2C1 1192939626 PAFWPURWUGNKSZ-VIFPVBQESA-N 308.298 -0.664 5 10 DBBE COC(=O)[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1319475785 ZKMIXBPZQRCRIK-SECBINFHSA-N 309.278 -0.222 5 10 DBBE NC(=O)c1ccc(CN2CCC(CO)(CO)C2)c([N+](=O)[O-])c1 1350394222 JPWUAKBZZIRGRH-UHFFFAOYSA-N 309.322 -0.130 5 10 DBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cc([N+](=O)[O-])cn1C 1439879433 NYCZGOARJMIKFE-JTQLQIEISA-N 324.293 -0.611 5 10 DBBE CN1CCO[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1=O 1443520250 QMJLEPNTGIPZJM-GFCCVEGCSA-N 323.305 -0.053 5 10 DBBE C[C@H](C[S@@](C)=O)N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1446794709 OUAIVNITGISWLJ-AOUSDQRYSA-N 315.351 -0.018 5 10 DBBE O=C(NCCN(C(=O)Cc1cnoc1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1581468250 JDSHEMUZCKBLES-VXGBXAGGSA-N 322.321 -0.011 5 10 DBBE CC[C@@](COC)(NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)OC 1584385812 HQMKOUDKSANSAP-LBPRGKRZSA-N 314.298 -0.124 5 10 DBBE CC(C)N(CCCNC(=O)c1cnn[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704434594 BLTMQOWPQZTRAQ-MWLCHTKSSA-N 324.341 -0.173 5 10 DBBE COCCC(=O)NCC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1732120441 HLNXZRAEWXTTAZ-UHFFFAOYSA-N 311.342 -0.087 5 10 DBBE NCCOCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2156031341 NALGXKWTYKQSEI-UHFFFAOYSA-N 303.340 -0.011 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 2165862539 ZSUWTZTVNMSKQH-APPZFPTMSA-N 302.312 -0.204 5 10 DBBE NS(=O)(=O)c1ccc(NC[C@H](O)C(=O)O)c([N+](=O)[O-])c1 2176866977 WDEMGGVEPZMUON-QMMMGPOBSA-N 305.268 -0.900 5 10 DBBE Nc1c([N+](=O)[O-])ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)c1F 2177844742 GLMLFEJRKIPYPT-XPUUQOCRSA-N 305.287 -0.114 5 10 DBBE C[C@@](N)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2181128799 JCOSJPUUROYTNV-JTQLQIEISA-N 307.303 -0.278 5 10 DBBE O=[N+]([O-])c1c(N2CC3(C2)OC[C@@H](O)[C@H]3O)ccnc1Cl 2183646475 YCHRVXPRENPUBN-VXNVDRBHSA-N 301.686 -0.046 5 10 DBBE CCCc1ncc([N+](=O)[O-])c(=N[C@@H](C)CS(N)(=O)=O)[nH]1 2286660885 DHIGUIRCQFUFKU-ZETCQYMHSA-N 303.344 -0.152 5 10 DBBE NS(=O)(=O)CCNC(=O)c1c(F)ccc([N+](=O)[O-])c1F 94190959 BPDPHZNDFAMLRN-UHFFFAOYSA-N 309.250 -0.109 5 10 DBBE CS(=O)(=O)NCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] 227878370 IYBIQQYDKDNDCA-UHFFFAOYSA-N 317.323 -0.031 5 10 DBBE CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](O)(C(N)=O)C1 276481712 LQUSGJJVTICHNE-AWEZNQCLSA-N 322.321 -0.277 5 10 DBBE CCOC(=O)C[C@H](CO)NC(=O)Cn1ccc([N+](=O)[O-])n1 590557289 QZVUAEVMTLKXFT-MRVPVSSYSA-N 300.271 -0.778 5 10 DBBE CN(C)C(=O)CN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594745560 WCQKYBPGUFZFRL-UHFFFAOYSA-N 302.312 -0.302 5 10 DBBE COC(=O)[C@H](C)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599216927 VYEZLWFPNUIDPP-SSDOTTSWSA-N 320.327 -0.242 5 10 DBBE CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599288506 MTBFWGVQEHIWPG-ZETCQYMHSA-N 319.343 -0.527 5 10 DBBE NC(=O)C(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(N)=O 695295342 NEQIUIBULCCVBN-UHFFFAOYSA-N 300.658 -0.683 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)[C@@H](O)CO 704947946 RHWNGHSLWMGMFO-LDWIPMOCSA-N 306.296 -0.680 5 10 DBBE Cn1ncc(C(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 791793631 KRHZPNXPYDVQFY-UHFFFAOYSA-N 321.249 -0.689 5 10 DBBE COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1152652562 CDDHMWDXNOYMBL-HRDYMLBCSA-N 302.283 -0.538 5 10 DBBE Cc1nnc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1C 1329210652 TYTLPTYOKFNBQN-UHFFFAOYSA-N 315.315 -0.756 5 10 DBBE CCn1[nH]c(C)nc1=NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1452637227 ZHNAYRLXCCGWOD-UHFFFAOYSA-N 306.282 -0.263 5 10 DBBE CC(=O)N1CCC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 1472987513 RZWMMRIIIUSUHH-UHFFFAOYSA-N 322.321 -0.116 5 10 DBBE CC1=NNC(=O)[C@H]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 1615962802 IBEMDTUZJVDGCO-JTQLQIEISA-N 308.298 -0.190 5 10 DBBE COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1C(=O)OC 1627731886 NPHCQHFCYMZJFF-FNCVBFRFSA-N 300.267 -0.928 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CCO)C[C@H]2C)n1 1629798280 GUURTGSAIWFKGH-SNVBAGLBSA-N 311.342 -0.050 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](S(C)(=O)=O)C1 1639413556 MFXOYLIKUDQTKO-ZETCQYMHSA-N 302.312 -0.413 5 10 DBBE COC(OC)C(=O)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 1652249927 LYELRXQNZUEQQG-UHFFFAOYSA-N 313.314 -0.404 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1csnn1 1747783094 LCJUNFKOJNRPAY-HTRCEHHLSA-N 311.323 -0.418 5 10 DBBE CC(=O)c1cc([N+](=O)[O-])c(N(CC(N)=O)CC(N)=O)s1 2145844019 REENYITWACLGHS-UHFFFAOYSA-N 300.296 -0.364 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CO)[C@H](C)O 2174124068 RJYGBDUQZASGAC-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE Cc1nn(C)c(N[C@@H](CS(C)(=O)=O)C(=O)O)c1[N+](=O)[O-] 2360619870 BTJCNVVWTHRPMN-LURJTMIESA-N 306.300 -0.454 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 51088908 JJDANBKCBMLHKD-SSDOTTSWSA-N 314.323 -0.203 5 10 DBBE COc1nc(NCCS(N)(=O)=O)nc(OC)c1[N+](=O)[O-] 90555712 TVJSWRXUPIHZFQ-UHFFFAOYSA-N 307.288 -0.898 5 10 DBBE Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCN1CC2 181239682 RFMSAQLVMKXQQC-SNVBAGLBSA-N 305.338 -0.093 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@](O)(C(N)=O)C2)c1 320412088 WOFGESGJMNGYJP-CYBMUJFWSA-N 309.278 -0.192 5 10 DBBE CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599328673 CRDQKIAIYQQVDG-VXNVDRBHSA-N 320.327 -0.590 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](O)C2CCC2)n1 599332656 VJKDQJIZCRICMA-VIFPVBQESA-N 304.328 -0.232 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H](O)CO 698920956 ULHYJIWUJLLPQV-HZGVNTEJSA-N 308.287 -0.246 5 10 DBBE CCOC[C@@H](C(=O)OC)N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] 1295064083 HSWDMCVOKQXQHU-QMMMGPOBSA-N 300.271 -0.032 5 10 DBBE Cn1nnnc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 1495917234 NZUCHSLQXYSDEN-NXEZZACHSA-N 323.357 -0.606 5 10 DBBE NC(=O)[C@@H](O)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 1634601067 JCZZGAXZDBSHPH-NSHDSACASA-N 307.306 -0.021 5 10 DBBE O=C(NCC(=O)N1C[C@H](O)[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 1638815289 SZUIWPSXPFUQHH-PWSUYJOCSA-N 323.305 -0.864 5 10 DBBE COC(=O)[C@@H](O)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C 1640897783 QRENPMYXUNGESY-VIFPVBQESA-N 314.298 -0.470 5 10 DBBE NC(=O)C[C@@H]1COCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1642973709 YYQKAFOGCJSTBF-DGCLKSJQSA-N 323.305 -0.269 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccnn1 1721852301 OOUKLPABBOBCHE-GRKXQCETSA-N 305.294 -0.456 5 10 DBBE Cc1nonc1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758401408 TZZXJJWJAARUFV-RKDXNWHRSA-N 311.298 -0.378 5 10 DBBE NNc1ccc(CN2C(=O)CCS2(=O)=O)cc1[N+](=O)[O-] 2145901899 BZRFMXHWBHGRNF-UHFFFAOYSA-N 300.296 -0.058 5 10 DBBE CN(CCS(=O)(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])n1 2151031253 ACUDNNVHLOXZFD-UHFFFAOYSA-N 303.344 -0.100 5 10 DBBE CCS(=O)(=O)C[C@@H](C)N=c1cc([N+](=O)[O-])cc(NN)[nH]1 2170591780 QBSWGKUUVAOCGE-SSDOTTSWSA-N 303.344 -0.068 5 10 DBBE C[C@H]1CS(=O)(=O)CCN1c1nc(NN)ccc1[N+](=O)[O-] 228888300 PXVIZEJAHIPZCS-ZETCQYMHSA-N 301.328 -0.101 5 10 DBBE O=C1NC[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CCN12 301950348 IQVLEVZEOKSYAK-MRVPVSSYSA-N 303.282 -0.149 5 10 DBBE CC(C)NC(=O)[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 598439215 WVEXDJVYQMVBHF-SNVBAGLBSA-N 324.341 -0.051 5 10 DBBE CO[C@](C)(CO)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 702538002 STXJUYCDZZQNBJ-JTQLQIEISA-N 305.312 -0.335 5 10 DBBE O=C(NS(=O)(=O)N1CCNCC1)c1ccc([N+](=O)[O-])o1 714301069 FGKQPAPTNSZSFQ-UHFFFAOYSA-N 304.284 -0.932 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(=O)n(CCO)c1 1326663060 GHFCIBVVQGNYCL-UHFFFAOYSA-N 307.266 -0.416 5 10 DBBE CCS(=O)(=O)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1328704628 MOZDUHBUHYMDJA-UHFFFAOYSA-N 317.327 -0.730 5 10 DBBE NC(=O)C1(O)CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 1472853972 VTKCZKSJDGOWSP-UHFFFAOYSA-N 306.278 -0.484 5 10 DBBE COC(=O)c1cc(C)nc(N2CC(CO)(CO)C2)c1[N+](=O)[O-] 1559280256 XULAGJSMIFCRHS-UHFFFAOYSA-N 311.294 -0.124 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] 1639793705 SDPZCBPYGGXWTN-MRVPVSSYSA-N 320.298 -0.131 5 10 DBBE C[S@@](=N)(=O)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1644174029 PGIRGUKETNNOFE-FQEVSTJZSA-N 302.316 -0.333 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(C[C@H](O)CNC3=O)C2)n1 1644589542 VRCXHKPIADBJPF-QMMMGPOBSA-N 323.309 -0.866 5 10 DBBE O=C1NC(=O)C2(CN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)N1 1647982958 WVJGDVBUQFKBRW-UHFFFAOYSA-N 319.277 -0.573 5 10 DBBE O=C(NCCNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)C1CC1 1724785787 JLWDKDMFACAHEN-VXGBXAGGSA-N 324.381 -0.194 5 10 DBBE NS(=O)(=O)c1ccc(N[C@H](CO)C(=O)O)c([N+](=O)[O-])c1 2175195357 IXWMXBXPWZNJJA-SSDOTTSWSA-N 305.268 -0.900 5 10 DBBE CO[C@@H]1CNC[C@@H]1S(=O)(=O)Nc1cc([N+](=O)[O-])ccn1 2202448798 NBMOVKOBIRRLDN-BDAKNGLRSA-N 302.312 -0.282 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](N)[C@@H](C)O 80748915 FFKAWJLXFDXRNP-RKDXNWHRSA-N 303.340 -0.110 5 10 DBBE C[C@](O)(CO)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 90287485 VRNSYVIIQXOPHI-SNVBAGLBSA-N 308.287 -0.245 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1N 110675089 IHPDNIPMILEPAQ-SSDOTTSWSA-N 314.323 -0.314 5 10 DBBE CNc1cc(S(=O)(=O)N(CCO)CCO)ccc1[N+](=O)[O-] 132064355 SGUUPDWHRLBICP-UHFFFAOYSA-N 319.339 -0.388 5 10 DBBE CS(=O)(=O)CCCNC(=O)c1cc(N)ncc1[N+](=O)[O-] 235015634 YBYKCMLTNXDTSE-UHFFFAOYSA-N 302.312 -0.264 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CCNC[C@H](O)C2)c1 312499735 XQIYWNIXJYQBIK-JTQLQIEISA-N 301.324 -0.450 5 10 DBBE O=C1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2F)CN1 312584378 OMXVMNIWRZYYHQ-LURJTMIESA-N 303.271 -0.099 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COC[C@H]2O)cc1F 323522590 UNXIMJPSBSLAJZ-WCBMZHEXSA-N 306.271 -0.228 5 10 DBBE CNc1nccc(C(=O)N[C@H](CO)c2ccnn2C)c1[N+](=O)[O-] 572974147 MZNIXOIKEUZKLG-SECBINFHSA-N 320.309 0.228 5 10 DBBE CO[C@@H]1COC[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594793467 HZMMRFMTVKHUTR-VXNVDRBHSA-N 303.296 -0.318 5 10 DBBE CCn1cc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nn1 599341413 JTRIYTXSFLNGAW-UHFFFAOYSA-N 315.315 -0.582 5 10 DBBE NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 615930948 ASBDCJWPXZWYDZ-LNLATYFQSA-N 307.310 -0.096 5 10 DBBE C[C@@H](O)[C@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 717413484 DCXZZQABCCMFOD-HZGVNTEJSA-N 308.287 -0.246 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(Cc3nc[nH]n3)CC2)n1 1118332364 AMZQSIXJDQGNAC-UHFFFAOYSA-N 320.313 -0.596 5 10 DBBE O=[N+]([O-])c1cnc(N2CCS(=O)(=O)C[C@H]2CCO)nc1 1187677524 MYNYXZJMTHCWKX-MRVPVSSYSA-N 302.312 -0.629 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCN1C1CCOCC1 1289227861 XYSXEDYLBXPMAP-NSHDSACASA-N 324.341 -0.444 5 10 DBBE COCCCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1295321044 YRQWEPHDLUSAGS-HMUNZLOLSA-N 311.338 -0.349 5 10 DBBE CN(CCOCCNC(=O)c1cc[nH]c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1487584593 YCUDMXBIOGBCOX-VXGBXAGGSA-N 324.337 -0.115 5 10 DBBE O=C(NCC1(O)CN(CCOCC2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1500834005 IVVJTHQIOYGKJK-VXGBXAGGSA-N 313.354 -0.759 5 10 DBBE CC(=O)N1CC[C@H](CN(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1525936638 ZCLUNSIJUYUIGQ-SNVBAGLBSA-N 310.314 -0.487 5 10 DBBE COC[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC 1597547610 PKRKUFZQUKPCKH-WDEREUQCSA-N 312.278 -0.068 5 10 DBBE NC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C(N)=O 1620418168 NIIBNKAPBQBXBI-UWVGGRQHSA-N 310.285 -0.248 5 10 DBBE CN(C)C[C@]1(O)CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 1655611920 CTRIYVOMSBOTFF-CQSZACIVSA-N 323.353 -0.018 5 10 DBBE Cn1cc(CN2CC[C@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])n1 1660447952 OCEJHJPYZKSICW-QMMMGPOBSA-N 303.344 -0.561 5 10 DBBE NC(=O)CC(=O)NCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1720647288 IALSPOLOOGEMAW-NXEZZACHSA-N 312.326 -0.976 5 10 DBBE COCC1(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1746900989 RGKBPSDMTHEWDN-GHMZBOCLSA-N 313.354 -0.005 5 10 DBBE O=[N+]([O-])c1cnc(N2CCS(=O)(=O)CC23CNC3)s1 2127123695 VIXDTOGSJDVPHJ-UHFFFAOYSA-N 304.353 -0.372 5 10 DBBE N[C@H]1COC[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2149988275 NCKYEQGXSMPTGF-YUMQZZPRSA-N 305.287 -0.262 5 10 DBBE CN(c1ncc([N+](=O)[O-])c(=N)[nH]1)[C@H]1CS(=O)(=O)C1(C)C 2157641509 XMSLVCZDGKPJPI-ZETCQYMHSA-N 301.328 -0.191 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CN2CCN1CC2 178655809 PGWQDWOKCDKZAX-LLVKDONJSA-N 308.342 -0.784 5 10 DBBE CC1(C)CN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CCO1 337604647 UNCVISJASJKMGL-UHFFFAOYSA-N 312.330 -0.587 5 10 DBBE CNC(=O)[C@@H](CO)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 358898145 ZJMHVKHWDYXENX-SNVBAGLBSA-N 317.323 -0.879 5 10 DBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC(CO)C1 614033341 GVIPVAJVEVANTI-UHFFFAOYSA-N 321.289 -0.229 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H](O)CO)CC1 1167681349 YASWUXQPOSTYIF-ZDUSSCGKSA-N 309.322 -0.294 5 10 DBBE Cc1cc(C)n(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1283245498 HERPUYVKJBRSQI-VXGBXAGGSA-N 323.353 -0.212 5 10 DBBE COC[C@H](COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)OC 1329404565 NJWLFAJREGGADU-SNVBAGLBSA-N 300.267 -0.039 5 10 DBBE COC1(OC)CCOC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 1453773705 ZGSMWAKHDNLLCS-SECBINFHSA-N 314.298 -0.315 5 10 DBBE CCN(CC)C(=O)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1482596818 YPOATVBEUQQEAW-VXGBXAGGSA-N 314.386 -0.090 5 10 DBBE CCc1[nH]nc(C(=O)N2CCN(C3CN(C)C3)CC2)c1[N+](=O)[O-] 1520660254 MWIHDTXZYPDCAY-UHFFFAOYSA-N 322.369 -0.048 5 10 DBBE O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnn2cc[nH]c12 1522902587 ZXVGMBLXOGDBCG-PSASIEDQSA-N 320.309 -0.436 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCS(=O)(=O)N(C)C)n1 1527972802 MYJGRTKFZQLXAW-UHFFFAOYSA-N 319.343 -0.568 5 10 DBBE Cn1cc(C[C@H](CO)NC(=O)c2nn(C)cc2[N+](=O)[O-])cn1 1630355780 FXLHVLGHIQOYMP-SECBINFHSA-N 308.298 -0.605 5 10 DBBE CCC[C@@H](O)[C@@H](CO)NC(=O)Cn1c([N+](=O)[O-])cnc1C 1637672713 VQELENMBYUJLCS-NXEZZACHSA-N 300.315 -0.262 5 10 DBBE O=C(NCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 1647972954 JKZDKPAMYUUTDR-UHFFFAOYSA-N 310.310 -0.116 5 10 DBBE COC1(OC)CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1O 1659950596 KHCQLZVJXZSDMB-SNVBAGLBSA-N 300.315 -0.116 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2C2OCCO2)c1 1660412427 PRSHOLICVRMNCT-VXGBXAGGSA-N 312.326 -0.011 5 10 DBBE CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)c1nnn(C)n1 1731942093 PVARMGKHLMDWQW-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cncnc1O 1745107656 ZZRSHORASJNRMO-VXNVDRBHSA-N 309.282 -0.964 5 10 DBBE O=C(NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)c1cnon1 1759093597 HBQUPIXAWQXBNA-PSASIEDQSA-N 309.282 -0.544 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NCCO)c1 1859214408 ASKACCDWWRLUDA-MRVPVSSYSA-N 311.294 -0.170 5 10 DBBE COC(=O)CN(C)S(=O)(=O)N=c1cc[nH]cc1[N+](=O)[O-] 2202428867 CKGPBHLMDMLESL-UHFFFAOYSA-N 304.284 -0.827 5 10 DBBE N[C@H](CS(=O)(=O)Nc1c(O)cccc1[N+](=O)[O-])C(=O)O 2286018528 RYDCVJDIVWAEDF-RXMQYKEDSA-N 305.268 -0.546 5 10 DBBE NS(=O)(=O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 40385691 OXEQWQQUNBQGPM-UHFFFAOYSA-N 323.352 -0.448 5 10 DBBE Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NCc1nc[nH]n1 80633042 PAVXOTHRZZUXKO-UHFFFAOYSA-N 316.274 -0.087 5 10 DBBE COc1cc(C(=O)NC[C@H](O)CO)c([N+](=O)[O-])cc1OC 90280017 AYVWKKBZNWNPLD-ZETCQYMHSA-N 300.267 -0.305 5 10 DBBE CN(C)CCN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 265232008 HPDFBEZURJWEOT-UHFFFAOYSA-N 324.385 -0.113 5 10 DBBE CCOCCN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 347737490 VIBMUBVBASYQCB-UHFFFAOYSA-N 312.330 -0.633 5 10 DBBE CN1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1=O 353263949 JVWMTPDUXOLSBH-UHFFFAOYSA-N 300.296 -0.522 5 10 DBBE C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593544313 QQAYXTMHBYDQJD-MRVPVSSYSA-N 312.311 -0.052 5 10 DBBE CC(C)C[C@H](CN)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599098721 YVHNEQHOPSEEAN-MRVPVSSYSA-N 305.360 -0.020 5 10 DBBE NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 599432587 VSJAHHAQOXOGSO-QMMMGPOBSA-N 300.296 -0.372 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@]2(CO)CCCNC2)cc1 725373254 FXAOKKPRAFEJBS-GFCCVEGCSA-N 315.351 -0.012 5 10 DBBE O=C(NC[C@@H](O)CO)c1cc([N+](=O)[O-])ccc1SCCO 1158188533 AHSMIUFGZWJRKE-SECBINFHSA-N 316.335 -0.238 5 10 DBBE O=C1CO[C@@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]2N1 1170903979 GHZQVGPJPUMYKH-VXGBXAGGSA-N 322.321 -0.654 5 10 DBBE COCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)C 1281324778 GLMNMOJTQZJNRL-GHMZBOCLSA-N 301.343 -0.101 5 10 DBBE CCN(CCCNC(=O)Cn1cncn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1283762532 MDIIIAWBZWANOI-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE O=C(NC1(CCO)CN(C(=O)C=C2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1334611505 AYVNIZXGYLBTIZ-VXGBXAGGSA-N 323.349 -0.159 5 10 DBBE CC(=O)N1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1587373426 LHYYZDZBDMUKBD-UHFFFAOYSA-N 322.321 -0.116 5 10 DBBE C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCS(=O)(=O)C1 1616233427 DGIDMROXDIBSII-MRVPVSSYSA-N 317.327 -0.921 5 10 DBBE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 1643089434 HPVGHZGBZDDSIV-ZJUUUORDSA-N 312.330 -0.900 5 10 DBBE CN(C)C(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 1644620748 VXAJDXUAVUCWMT-UHFFFAOYSA-N 324.341 -0.446 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(NC2CN(S(C)(=O)=O)C2)[nH]1 2145424067 RBQGILBMCPSJOB-UHFFFAOYSA-N 301.328 -0.491 5 10 DBBE COC1(CO)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 2157307836 MGGPZDXODQFWDM-UHFFFAOYSA-N 302.308 -0.023 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@H]1CCCC[C@@H]1S(C)(=O)=O 2159177951 DDRJVLQLWIJMHT-YUMQZZPRSA-N 303.344 -0.087 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NCC[C@@H](O)CO 2182244946 NZCLCUZVVWDVGU-MRVPVSSYSA-N 308.287 -0.245 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N=[S@](C)(=O)[C@@H]2CCNC2)n1 2186532806 RWUIQTKASPXZSU-JLPJYYFKSA-N 301.328 -0.072 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNC[C@H](F)C2)cn1 2234654144 RZJOQRVKZRVHRJ-HTQZYQBOSA-N 304.303 -0.032 5 10 DBBE CCc1ncc([N+](=O)[O-])c(=NCCCNS(C)(=O)=O)[nH]1 2286672117 NELMXSGLELYUBH-UHFFFAOYSA-N 303.344 -0.280 5 10 DBBE NNc1ncc([N+](=O)[O-])c(NC[C@@H]2CCS(=O)(=O)C2)n1 236287473 ZHDXFLFPCLRFMH-LURJTMIESA-N 302.316 -0.483 5 10 DBBE COCC[C@@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594780967 JMKQBWANTWLYKK-QMMMGPOBSA-N 305.312 -0.335 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCNC2)n1 599097467 IUOVIEFYCOMTTF-QMMMGPOBSA-N 303.344 -0.394 5 10 DBBE NS(=O)(=O)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 599175114 FWXNZNSWAMNLCJ-UHFFFAOYSA-N 301.328 -0.248 5 10 DBBE O=C(NCCOCCO)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1136172112 PIDWAXJWWOLUCJ-UHFFFAOYSA-N 321.293 -0.086 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@]2(CNC(=O)C2)C1 1320959216 RYRJRNGCNKUDAG-CYBMUJFWSA-N 305.294 -0.195 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 1556987707 UHUHFPRMKAVILE-UHFFFAOYSA-N 303.271 -0.153 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](F)[C@H](O)C1 2149266893 SYVVSHIBPGUNAP-IONNQARKSA-N 305.287 -0.120 5 10 DBBE CON([C@H]1CCNC1)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2176062123 GAKZPADKWXREIE-QMMMGPOBSA-N 302.312 -0.096 5 10 DBBE CC1(NS(=O)(=O)c2ccc(NN)cc2[N+](=O)[O-])COC1 2189272634 MABNXGOTIDVSDA-UHFFFAOYSA-N 302.312 -0.052 5 10 DBBE Cn1cc([N+](=O)[O-])c(CS(=O)(=O)CCOC2CNC2)n1 2201209407 ULKVIJFXNVLNRA-UHFFFAOYSA-N 304.328 -0.769 5 10 DBBE NNc1cc(S(=O)(=O)N2CCNC(=O)C2)ccc1[N+](=O)[O-] 131292307 NRGBEXVNVVXUCD-UHFFFAOYSA-N 315.311 -0.999 5 10 DBBE CN(CC(=O)N1CC[C@](O)(C(N)=O)C1)c1ccccc1[N+](=O)[O-] 286382415 CGPRHXMGIZUWDC-CQSZACIVSA-N 322.321 -0.520 5 10 DBBE CCOC(=O)N1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 495341183 ALYJGTJTBXTMEE-QMMMGPOBSA-N 312.286 -0.467 5 10 DBBE COc1ccc(S(=O)(=O)N[C@H]2CCNC2=O)cc1[N+](=O)[O-] 594788765 ABKJFZRCLBMPIP-QMMMGPOBSA-N 315.307 -0.230 5 10 DBBE CO[C@@H]1CN(C)[C@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 861342897 DXOXGYQZHWXEOG-CABZTGNLSA-N 313.314 -0.161 5 10 DBBE CNS(=O)(=O)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] 1154536847 JIOQPCOYHIQWCT-UHFFFAOYSA-N 319.314 -0.058 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@](O)(C(F)F)C2)c1 1307781217 WNANREYTNZVOAO-MWLCHTKSSA-N 306.269 -0.146 5 10 DBBE O=C(CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)NCC(F)F 1448672161 JNKJDORQLJVVAQ-UHFFFAOYSA-N 318.236 -0.746 5 10 DBBE C[C@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCS1(=O)=O 1516728856 NLHQBTYUFIUEGM-LLVKDONJSA-N 316.339 -0.125 5 10 DBBE CN(CCNC(=O)c1cccc(=O)n1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1528632072 NFSPBWGTKZDDNG-MWLCHTKSSA-N 322.321 -0.761 5 10 DBBE CNS(=O)(=O)[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 1652847892 SNYZSKUFIABLKY-SNVBAGLBSA-N 317.371 -0.158 5 10 DBBE Cc1cnn(C)c1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703579024 RKHBIXHCVPSZIM-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE CCN(CCNC(=O)c1cnn(C)c1N)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758998294 GNBPOJFWOCMCDB-PSASIEDQSA-N 324.341 -0.754 5 10 DBBE C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(=O)O 2176841989 MRPHGILBNVHSJK-IMTBSYHQSA-N 304.280 -0.293 5 10 DBBE O=[N+]([O-])C1CN(S(=O)(=O)c2ccc(OCCO)cc2)C1 2191527095 BKZOOXXWCKOMDJ-UHFFFAOYSA-N 302.308 -0.293 5 10 DBBE CO[C@H]1CNC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 36265013 ICPLRBSVDSCHCQ-MNOVXSKESA-N 301.324 -0.140 5 10 DBBE COCCNC(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 87892186 RDYSIFMLPFVDNM-UHFFFAOYSA-N 303.296 -0.382 5 10 DBBE CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCNC(N)=O 147413217 UMXVVXRQBFMFOD-UHFFFAOYSA-N 317.327 -0.417 5 10 DBBE NC(=O)c1ccc([N+](=O)[O-])c(NCCCS(N)(=O)=O)c1 212856894 QMHAAQDKEFQZCO-UHFFFAOYSA-N 302.312 -0.216 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1c(N)cccc1[N+](=O)[O-] 313649050 IZXGXRDVNLODMJ-UHFFFAOYSA-N 303.300 -0.876 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CNC[C@@H]1O 699962677 NCBLZKAPDOISRW-KOLCDFICSA-N 301.324 -0.653 5 10 DBBE C[C@H]1CN(c2ncnc(NN)c2[N+](=O)[O-])CCS1(=O)=O 707401911 UKBLEBVHSXHWJM-LURJTMIESA-N 302.316 -0.706 5 10 DBBE Cn1c(C(=O)NCC2(S(N)(=O)=O)CC2)ccc1[N+](=O)[O-] 713981385 UWIKYZNFYRXPAM-UHFFFAOYSA-N 302.312 -0.516 5 10 DBBE Cn1cnc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 940948881 XTGRVIKULDYIBU-NXEZZACHSA-N 322.325 -0.845 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)OCCCNS(C)(=O)=O)n1 1116508410 MIPJZKYNJBGJEC-UHFFFAOYSA-N 306.300 -0.576 5 10 DBBE COC(=O)c1cc(C)nc(N2C[C@@H](O)[C@H](CO)C2)c1[N+](=O)[O-] 1145089514 XPNRWWXLXJNTAY-WCBMZHEXSA-N 311.294 -0.126 5 10 DBBE C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1319591624 MAVQFIKTRXRECV-UWVGGRQHSA-N 322.321 -0.131 5 10 DBBE CCCN(CCNC(=O)Cc1ncc[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1356523825 WLYFQICOSQEWID-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H](O)[C@H](CO)C1 1460219535 AHJPJRPHLZIIBN-DMDPSCGWSA-N 312.322 -0.381 5 10 DBBE COC(=O)c1cc(C(=O)NC2=NCC(=O)N2C)cc([N+](=O)[O-])c1 1470594269 UOOGDGRHXYKMRA-UHFFFAOYSA-N 320.261 -0.061 5 10 DBBE CCCOCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1532914760 RGEQIHLBOPRDIS-GHMZBOCLSA-N 301.343 -0.005 5 10 DBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1COC[C@H]1O 1569143176 VFSGKWXGUYPWJV-GHMZBOCLSA-N 309.278 -0.800 5 10 DBBE Cc1ncncc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1575726614 VAIFPHRMAGEBPB-MWLCHTKSSA-N 307.310 -0.314 5 10 DBBE CC(C)(CNS(C)(=O)=O)NC(=O)Cn1ccc([N+](=O)[O-])n1 1626481789 FMMZVTIJANGRSI-UHFFFAOYSA-N 319.343 -0.765 5 10 DBBE N=C(N)NCCC[C@H](N)C(=O)Nc1ncc([N+](=O)[O-])s1 1866115738 NZRUUDFJPQSMEE-YFKPBYRVSA-N 301.332 -0.420 5 10 DBBE Nc1sc(S(=O)(=O)N2CC([N+](=O)[O-])C2)cc1[N+](=O)[O-] 1876137204 ODPIZVDGOKPZSX-UHFFFAOYSA-N 308.297 -0.112 5 10 DBBE C[S@](=O)(=NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1 2159071868 VIBSSOQZQDZMMZ-GSDQLPOLSA-N 301.328 -0.222 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NC1C[C@H]2CS(=O)(=O)C[C@@H]2C1 2161133341 RIMIFEJRBXQKCR-BQBZGAKWSA-N 301.328 -0.620 5 10 DBBE O=[N+]([O-])c1cnc(N2CCCN(C[C@@H](O)CO)CC2)s1 2178026767 AAKIFCWSCBIPJT-SECBINFHSA-N 302.356 -0.083 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@](C)(N)CO 2181131004 ZVVDPIZRIXZNAS-LLVKDONJSA-N 303.340 -0.109 5 10 DBBE O=[N+]([O-])c1cnc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(Cl)c1 2234102901 APLVEADOIQLXJX-GXSJLCMTSA-N 303.702 -0.062 5 10 DBBE O=Cc1ccc(NCC2(O)CS(=O)(=O)C2)c([N+](=O)[O-])c1 2283094781 ILTABYKEJHCAGP-UHFFFAOYSA-N 300.292 -0.021 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC([C@@H](O)CO)C2)cc1 2361985503 AYIHFLUWIBFETN-NSHDSACASA-N 302.308 -0.432 5 10 DBBE CN1CCN(S(=O)(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 62431590 DSHBTBJFPYMUCX-UHFFFAOYSA-N 301.328 -0.492 5 10 DBBE CNS(=O)(=O)c1ccc(NC[C@@H](N)[C@@H](C)O)c([N+](=O)[O-])c1 80741328 OEVBNUDPULTCEI-VXNVDRBHSA-N 318.355 -0.377 5 10 DBBE Cc1cc([N+](=O)[O-])cn(CC(=O)N2CCCC[C@@H]2C(N)=O)c1=O 127223507 WZBURZOMLLZGLP-LLVKDONJSA-N 322.321 -0.069 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] 323113843 IGVRWJCKQHQVFK-KOLCDFICSA-N 302.308 -0.059 5 10 DBBE N[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)O 323295620 MVAKAAYWHFWZNU-LURJTMIESA-N 307.259 -0.576 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCSC[C@H]2CCO)c1 347384676 WZDNTFSNOBYLHR-PWSUYJOCSA-N 316.383 -0.048 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](O)(C(N)=O)C2)c1 357025650 LPEAESCCSWJOJR-ZDUSSCGKSA-N 309.278 -0.334 5 10 DBBE CNc1nccc(C(=O)N2C[C@H]3COC[C@@H](C2)O3)c1[N+](=O)[O-] 582369351 JUUYAZRPRSUUJH-DTORHVGOSA-N 308.294 0.271 5 10 DBBE CCN(CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593577446 BCAYEJGXESVEAZ-UHFFFAOYSA-N 318.355 -0.418 5 10 DBBE Cc1nnsc1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599312445 TWIBGSIZFKNXSY-UHFFFAOYSA-N 318.340 -0.033 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H](O)[C@H]1CCCO1 599392081 PWJSLEJKLINMCC-NXEZZACHSA-N 317.323 -0.192 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H](O)[C@@H]1CCCO1 599392082 PWJSLEJKLINMCC-UWVGGRQHSA-N 317.323 -0.192 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C(=O)O)n1 600655118 ITPJVHVSZURWGL-ZCFIWIBFSA-N 304.284 -0.434 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC[C@@H]2O)c(Cl)c1 699965684 ALBKJBORORDUCN-BDAKNGLRSA-N 321.742 -0.141 5 10 DBBE CC1(C(=O)NS(=O)(=O)c2cccnc2[N+](=O)[O-])COC1 851329062 ZHNADUJKUFGHMZ-UHFFFAOYSA-N 301.280 -0.169 5 10 DBBE C[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCS1(=O)=O 1116784297 IWHTWTCUUZFEFL-QMMMGPOBSA-N 316.339 -0.023 5 10 DBBE C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H](C)S(C)(=O)=O 1150031473 YDAAMAOSVSQATJ-BDAKNGLRSA-N 318.355 -0.023 5 10 DBBE COCc1nnc2n1CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C2 1165440484 PIXWQLIKWIEPFI-UHFFFAOYSA-N 307.270 -0.288 5 10 DBBE COCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1356301642 IEWWLWDUBFLKLW-OPRDCNLKSA-N 306.340 -0.686 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@H](c2nc[nH]n2)C1 1451981247 JRPVYZTWMOSTPJ-VIFPVBQESA-N 318.293 -0.109 5 10 DBBE COC1(OC)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1O 1452131327 IWFBOILBFOMOBL-MRVPVSSYSA-N 314.298 -0.178 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1[C@H]2CC[C@H]1CN(CCOCCO)C2 1490793449 WQLBAOOKHAYFOU-WUHRBBMRSA-N 313.354 -0.664 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCC2(C1)OCCO2 1567462950 KSUXNNITAJMSSU-VIFPVBQESA-N 311.298 -0.012 5 10 DBBE COC(=O)[C@H]1COCCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 1630471864 WMJGKRXKFCWCRY-SECBINFHSA-N 310.266 -0.414 5 10 DBBE CN(CCNC(=O)c1cccn(C)c1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721108354 OZIKSXISCJWFDY-GHMZBOCLSA-N 322.321 -0.761 5 10 DBBE NC(=O)[C@H]1CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 1963537158 LPKIBHUFIXUOAW-MRVPVSSYSA-N 303.271 -0.018 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@@H]2CCO[C@H]2C(N)=O)c1[N+](=O)[O-] 2174107387 NYONCSZHBFZTOE-IYSWYEEDSA-N 301.690 -0.177 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(N[C@@H]2CS(=O)(=O)C[C@@H]2O)[nH]1 2177958890 LNBWJPPURWKLGA-SVRRBLITSA-N 302.312 -0.977 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@]2(CO)CCNC2)c1 2190273295 ILZIUCYIGINOLF-NSHDSACASA-N 301.324 -0.403 5 10 DBBE C[C@H](O)CN(CCN)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2285347925 QJPYHIWUIZZGBD-VIFPVBQESA-N 303.340 -0.075 5 10 DBBE C[C@H](CC[S@](C)=O)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 230092207 VJAFQYRDDOCECQ-MTTWPYTGSA-N 304.372 -0.101 5 10 DBBE COC(=O)[C@@H](CF)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 288243534 KTQXLLPCLPOMLS-MRVPVSSYSA-N 301.230 -0.616 5 10 DBBE NS(=O)(=O)C1CN(c2nc3sccn3c2[N+](=O)[O-])C1 413581842 XZVKPEHRBJAMGU-UHFFFAOYSA-N 303.325 -0.219 5 10 DBBE CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599326696 MXBGNYMZQDZDSE-POYBYMJQSA-N 306.300 -0.980 5 10 DBBE COC(=O)CC1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599338095 BDASCEQXTRKQQA-UHFFFAOYSA-N 318.311 -0.298 5 10 DBBE COc1c(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)cccc1[N+](=O)[O-] 600242209 NUCKWNFPVXMBHL-XCBNKYQSSA-N 309.278 -0.336 5 10 DBBE C[C@@H](O)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 717415838 PQNGPGNLNINJMD-HZGVNTEJSA-N 308.287 -0.246 5 10 DBBE CC(=O)N(C)CC(=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 1333523938 QNESYSRACPAFFD-UHFFFAOYSA-N 316.295 -0.727 5 10 DBBE C[C@H]1CS(=O)(=O)CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 1439560349 AQGBPNUDQXMUAC-QMMMGPOBSA-N 317.327 -0.778 5 10 DBBE Cn1cnnc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 1568235470 PDAPYFMPRPXNOL-GHMZBOCLSA-N 322.369 -0.001 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3O)C[C@@H]2C1=O 1635812919 XPDWCJFEQPCJRQ-DTORHVGOSA-N 319.273 -0.013 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1nccn1 1721209488 WEKAGGUNMKPGIP-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE CN(CCNC(=O)c1ccncn1)Cc1c([N+](=O)[O-])ncn1C 1731789110 VTLOWMSHFCLZIH-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE O=C(Cc1cc[nH]n1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1747768374 PYDRANNODUNOJN-NXEZZACHSA-N 307.310 -0.618 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1(O)CNC1 1918666625 GJVHGGPUSNBZKI-MRVPVSSYSA-N 301.324 -0.404 5 10 DBBE NS(=O)(=O)C[C@@H]1CCN(c2ncnc(F)c2[N+](=O)[O-])C1 2144391391 CQZJERBAVPSFPK-ZCFIWIBFSA-N 305.291 -0.361 5 10 DBBE CN(CCN(C)S(C)(=O)=O)c1ncnc(F)c1[N+](=O)[O-] 2146955588 VWXAJBUADICZPJ-UHFFFAOYSA-N 307.307 -0.149 5 10 DBBE Nc1cc(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)ccc1[N+](=O)[O-] 2149265843 FIZBFZPWDKHZJU-GMSGAONNSA-N 305.287 -0.120 5 10 DBBE O=C(O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)COC1 2153524747 PXMDFYWTCPUJBC-UHFFFAOYSA-N 303.252 -0.878 5 10 DBBE CNC(=O)CCCn1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C 2156811526 RBGFSQHMKIZUCL-UHFFFAOYSA-N 305.316 -0.727 5 10 DBBE CN=c1[nH]c(NCC2(S(N)(=O)=O)CC2)ncc1[N+](=O)[O-] 2157681249 ZSVLRIGSJNRLBT-UHFFFAOYSA-N 302.316 -0.919 5 10 DBBE O=C(O)[C@@H](Cc1cncs1)NC(=O)N1CC([N+](=O)[O-])C1 2191502561 CXLIMSMPNIXQCD-MRVPVSSYSA-N 300.296 -0.191 5 10 DBBE CN(CC(=O)N1CCNCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 262192471 MESQKQQQFJXUMB-UHFFFAOYSA-N 322.321 -0.196 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2CO)c1 704636093 TUTFNYYLQZJBTP-ZJUUUORDSA-N 302.308 -0.289 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](O)[C@H](C)O 717400790 FOYDHOKJFLCHQG-WPRPVWTQSA-N 304.324 -0.077 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccncn1 1496739871 QLFGUCUTURKGTP-MWLCHTKSSA-N 307.310 -0.280 5 10 DBBE CN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 1634202235 FMALSONDLWWSDW-OLZOCXBDSA-N 309.322 -0.237 5 10 DBBE O=C(Cc1ncc[nH]1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689325767 CIYAONLSOAPDJJ-UFLMBTITSA-N 307.310 -0.594 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])cn1)c1cnc2nc[nH]n2c1=O 1866072553 HXAYJZYLUGHNBY-UHFFFAOYSA-N 301.222 -0.027 5 10 DBBE NCCN(CCN)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2152187225 QBRJOFUJTZEGKY-UHFFFAOYSA-N 306.319 -0.358 5 10 DBBE C[C@@H](CS(N)(=O)=O)Nc1ncc([N+](=O)[O-])c(N(C)C)n1 2157671958 ISWYOPASEBLTLJ-LURJTMIESA-N 304.332 -0.460 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)[C@H](N)CO1 2165825169 LHOUSJRLCYHETG-APPZFPTMSA-N 302.312 -0.316 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCS[C@H](C(=O)O)C1 2186550393 VZKNQWUWKBKVMI-ZETCQYMHSA-N 300.296 -0.030 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@H]1[C@@H]2COC[C@@H]21 2188908784 GBQAZUZTKJLKDP-WHUPJOBBSA-N 302.312 -0.360 5 10 DBBE Cc1nc(Cl)[nH]c(=NCC2(O)CS(=O)(=O)C2)c1[N+](=O)[O-] 2283075619 HXEGGHPXRPBXGC-UHFFFAOYSA-N 322.730 -0.660 5 10 DBBE COC[C@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302321 UBWAEPNSILDWMV-MRVPVSSYSA-N 305.312 -0.382 5 10 DBBE Cn1cnnc1COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 215825059 DYIBUULEJJXCJN-UHFFFAOYSA-N 313.295 -0.050 5 10 DBBE CCN([C@H]1CCNC1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593591317 STBCRQWKARMKHX-VIFPVBQESA-N 314.323 -0.111 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCNC1=O 693962182 ZPOXPNYXZNJYOB-QMMMGPOBSA-N 300.296 -0.656 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NCC[C@@H]1CNCCS1(=O)=O 721807361 NPOIYPCJNFYAFT-MRVPVSSYSA-N 303.344 -0.483 5 10 DBBE O=C(CO)NCCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 1141574086 BOYDEUMWZWGXGC-UHFFFAOYSA-N 310.310 -0.379 5 10 DBBE O=C(CN1C[C@@H](O)[C@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 1195015571 VYWQOJBLHPLRFA-SMDDNHRTSA-N 321.333 -0.231 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)CS(C)(=O)=O 1456326112 SWLBRVDVOHZSHK-ZETCQYMHSA-N 304.328 -0.351 5 10 DBBE CC(C)(C)NC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1491017305 GOKFZQSSWXGOCM-LMLFDSFASA-N 312.370 -0.197 5 10 DBBE Cc1nnccc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1506049348 YISRWUBHXWWUTC-GHMZBOCLSA-N 319.321 -0.171 5 10 DBBE CCS(=O)(=O)CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 1528578127 NEGGAZZQUBGYKS-UHFFFAOYSA-N 304.328 -0.268 5 10 DBBE COCCN(CC(=O)OC)C(=O)c1cnc(N)c([N+](=O)[O-])c1 1585985386 YKDPGGHFOBJAHQ-UHFFFAOYSA-N 312.282 -0.166 5 10 DBBE O=C1NC[C@H](O)CC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2 1654981048 DKYNDOPZIHHUIS-LLVKDONJSA-N 323.353 -0.246 5 10 DBBE Cc1nc[nH]c1CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721852825 WBINAVWIDWDRER-IRSQKABVSA-N 321.337 -0.286 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=N[C@@H]1CS(=O)(=O)C[C@@H]1O 2121469073 RXDCQOWSORYYQJ-XINAWCOVSA-N 308.703 -0.970 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CONC1=O 2148979070 AEIHIXVVTCDDAA-QMMMGPOBSA-N 301.280 -0.388 5 10 DBBE NCCOCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2156030418 ZNKQFTYWVRBTPF-UHFFFAOYSA-N 304.328 -0.371 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCS(=O)(=O)[C@H](C(=O)O)C1 2197723040 ZUQCGLNXFHNTML-LURJTMIESA-N 304.284 -0.984 5 10 DBBE Nc1ncnc(N2CC(S(=O)(=O)C(F)F)C2)c1[N+](=O)[O-] 2206688746 NWPUSRNBZXAWIY-UHFFFAOYSA-N 309.254 -0.207 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1N=c1ccc([N+](=O)[O-])c(N)[nH]1 2207471962 SLNNUHIJAVMWTG-HTRCEHHLSA-N 302.312 -0.782 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2289409433 XFWLHVMRFJRQEZ-PMVVWTBXSA-N 302.308 -0.558 5 10 DBBE CCCNC[C@@H](O)Cn1c(=O)c([N+](=O)[O-])cn(CC)c1=O 111544526 PVTLCTJQVGJCKX-SECBINFHSA-N 300.315 -0.701 5 10 DBBE N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 250090209 OZFHJXABMDXBEN-AYHFEMFVSA-N 314.323 -0.617 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2CCOC[C@H]2C1 364883387 PBAYDESGGFEZTB-SNVBAGLBSA-N 307.310 -0.391 5 10 DBBE Cc1nc(N2CC[C@@H](NS(C)(=O)=O)C2)ncc1[N+](=O)[O-] 425225038 FPESICGBCWTZGM-MRVPVSSYSA-N 301.328 -0.179 5 10 DBBE O=C1N[C@@]2(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@H]3C[C@@H]1[C@H]2C3 593100937 MEJLUBBTBKGVOD-AGSIJNCFSA-N 319.321 -0.178 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2COCCOC2)n1 599311814 MVPQEHHMQXYNAD-UHFFFAOYSA-N 306.300 -0.978 5 10 DBBE NC(=O)CN1CCN(c2ncnc(Cl)c2[N+](=O)[O-])CC1 700784650 UMFJBHWVJSWJDI-UHFFFAOYSA-N 300.706 -0.355 5 10 DBBE C[C@@H]1CN(c2ncnc(NN)c2[N+](=O)[O-])CCS1(=O)=O 707401912 UKBLEBVHSXHWJM-ZCFIWIBFSA-N 302.316 -0.706 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCS[C@H]2COCC[C@@H]21 1253217811 LEXSJWWHGGUSCW-IUCAKERBSA-N 313.339 -0.081 5 10 DBBE NC(=O)C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 1329591195 XPYLKMMXXUEFKL-SNVBAGLBSA-N 311.298 -0.716 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nnn(C)c1C 1528845571 RKRFJZFPIZMWSM-NXEZZACHSA-N 324.341 -0.633 5 10 DBBE CCn1nnc(C)c1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1557205236 AOBLRAAAOYTQRU-UHFFFAOYSA-N 320.309 -0.007 5 10 DBBE CNC(=O)NCC(=O)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 1567796469 UMXMIFFEBFTONB-UHFFFAOYSA-N 321.337 -0.176 5 10 DBBE CC(C)(CCNC(=O)Cn1cnc([N+](=O)[O-])n1)S(C)(=O)=O 1585193810 NQMHILDAJIVXEK-UHFFFAOYSA-N 319.343 -0.484 5 10 DBBE O=C(NCCS(=O)(=O)N1CCCC1)c1cc([N+](=O)[O-])n[nH]1 1639575788 OMCFVGSGRMJKNA-UHFFFAOYSA-N 317.327 -0.527 5 10 DBBE CN1CCC(N(CCO)C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1640276256 OMISUCMWXCUSCY-UHFFFAOYSA-N 312.330 -0.899 5 10 DBBE CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1nnn(C)n1 1713624834 OUSQZIDDZJQLGI-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE CN1CCC(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1758172224 WHXGTKXSLYVUQA-VXGBXAGGSA-N 312.370 -0.384 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=NC[C@@H]1CCS(=O)(=O)N1 2089989373 CKNDSIIXNYVTLO-YFKPBYRVSA-N 307.719 -0.436 5 10 DBBE Cc1[nH]c(=N)[nH]c(=N[C@@H]2C[P@@](C)(=O)C[C@@H]2O)c1[N+](=O)[O-] 2177951768 JITGKWIKDATYPY-FVDAICNFSA-N 301.243 -0.324 5 10 DBBE CC[S@](C)(=O)=NCCN=c1[nH]c(NN)ncc1[N+](=O)[O-] 2187306595 HXABXHCBTYSWNK-FQEVSTJZSA-N 303.348 -0.378 5 10 DBBE COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131175301 KFOZWQSZHZWPTA-MRVPVSSYSA-N 322.270 -0.454 5 10 DBBE C[C@H](N)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCO1 156452938 OMPVXXXGPBKLJB-WCBMZHEXSA-N 316.339 -0.274 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(O)CNC1 313678857 ORSFCVJEUSTOAE-UHFFFAOYSA-N 305.287 -0.654 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)nc1 593656012 ISXKKSHJWUNZET-OCCIGCLGSA-N 317.348 -0.116 5 10 DBBE COC(=O)[C@H](CCF)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599338536 CVNSLPHXTXULGW-LURJTMIESA-N 324.290 -0.492 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1nc(N)ccc1[N+](=O)[O-] 696997438 RQQDAGZWGJYOGP-XPUUQOCRSA-N 302.312 -0.204 5 10 DBBE COC(=O)[C@H]1C[C@H](O)CN(CCn2c([N+](=O)[O-])cnc2C)C1 1171741945 SYUAKSOUUXNDIA-QWRGUYRKSA-N 312.326 -0.044 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)n1 1329058735 COHPBFDNQBZJFN-VHSXEESVSA-N 309.326 -0.391 5 10 DBBE O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCNC1=O 1330518163 JVLDHSBNHUSIRI-JTQLQIEISA-N 320.305 -0.742 5 10 DBBE O=C(CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)NC1CC1 1482218234 KRQNCEOKUOEFDL-VXGBXAGGSA-N 324.381 -0.051 5 10 DBBE Cn1cc(CC(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 1530715990 SFRPOVQJYNLJEH-VXGBXAGGSA-N 321.337 -0.798 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H](CO)[C@@H](CCO)C1 1620676833 FAPNMUKFHIOQKA-NWDGAFQWSA-N 311.338 -0.321 5 10 DBBE C[C@](Cn1cccn1)(NCCn1cc([N+](=O)[O-])cn1)C(N)=O 1660572067 DTXHVCFZUDHKKI-GFCCVEGCSA-N 307.314 -0.478 5 10 DBBE CCCN(C)CC(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1665220206 MRNTZODWCWEJEH-UHFFFAOYSA-N 324.385 -0.030 5 10 DBBE Cc1cncn1CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704884928 YZSJLMFSBCINLI-VXGBXAGGSA-N 323.353 -0.226 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@]2(O)CNC[C@H]2O)cc1 2157172405 QWOPJZKUJHROTC-MNOVXSKESA-N 302.308 -0.936 5 10 DBBE Cc1cc(=NCCCNS(N)(=O)=O)c([N+](=O)[O-])c(C)[nH]1 2157545287 INVYHZPNKUJIJP-UHFFFAOYSA-N 303.344 -0.376 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=N[C@@H]2C[P@](C)(=O)C[C@@H]2O)[nH]1 2177955623 ZWNVWRKYOQYUQO-KXCWDCKNSA-N 301.243 -0.582 5 10 DBBE C[C@@](N)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2181130608 WPRDOTYHADPVJQ-JTQLQIEISA-N 307.303 -0.278 5 10 DBBE CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)N1CC(O)C1 2191535739 METMEIVNGZLIPY-UHFFFAOYSA-N 301.324 -0.052 5 10 DBBE O=CN[C@H](C[S@](=O)Cc1ccc([N+](=O)[O-])cn1)C(=O)O 2195294462 JKIHYRNJJXZFDH-GSDQLPOLSA-N 301.280 -0.562 5 10 DBBE Cc1nc(NS(=O)(=O)N2CCNCC2)ccc1[N+](=O)[O-] 2233138168 NOEQAYJFRQWZRU-UHFFFAOYSA-N 301.328 -0.140 5 10 DBBE O=C(NCCN1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 23935538 NWNZBXPASFHCQX-UHFFFAOYSA-N 322.321 -0.018 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)CC2)c1 50671278 LUZDKSBGJWGCJF-UHFFFAOYSA-N 319.364 -0.070 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2cccc(NN)c2[N+](=O)[O-])C1 126717302 HBZCKWHMAUDUBO-MRVPVSSYSA-N 315.355 -0.137 5 10 DBBE NC(=O)OCCNS(=O)(=O)c1c(N)cccc1[N+](=O)[O-] 313697639 RVPYPXBTHAAWNI-UHFFFAOYSA-N 304.284 -0.449 5 10 DBBE CO[C@@](C)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 594483384 BJTZTRSIDWPBJS-SNVBAGLBSA-N 305.312 -0.335 5 10 DBBE O=c1nc(O)c([N+](=O)[O-])cn1C[C@@H]1CCCCS1(=O)=O 694452926 JKOOWNVZGOYWAI-ZETCQYMHSA-N 303.296 -0.176 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1C[C@@H](O)C[C@@H](O)C1 751467947 KHHKPDRBIHZCEL-OCAPTIKFSA-N 320.298 -0.150 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H](CO)[C@H]1CCOC1 1295796320 AVVPBBSSMDISCM-VHSXEESVSA-N 311.294 -0.730 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnn(C)n1 1316888969 BFJCIXSUNXMLQH-NXEZZACHSA-N 311.346 -0.797 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)CNc1ccccc1[N+](=O)[O-] 1471682387 GAMNLYZHGPXHFF-UHFFFAOYSA-N 316.339 -0.246 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1n[nH]cc1F 1688397764 JOVHCAPGTSRMNW-VXNVDRBHSA-N 313.289 -0.208 5 10 DBBE CN(CCNCc1ncnn1CCF)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1713591421 MCKSUGLHPLOXCZ-NXEZZACHSA-N 314.321 -0.539 5 10 DBBE CN(CCNC(=O)Cc1nc[nH]n1)Cc1c([N+](=O)[O-])ncn1C 1731793707 UBAZDAAWBLTIGQ-UHFFFAOYSA-N 322.329 -0.763 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ccon1 1746880378 ICPMWENCJAFSHV-GHMZBOCLSA-N 310.310 -0.201 5 10 DBBE CC1(NC(=O)c2cc([N+](=O)[O-])ncc2N)CS(=O)(=O)C1 1918414780 WBSSLWGYWIBYCV-UHFFFAOYSA-N 300.296 -0.511 5 10 DBBE O=[N+]([O-])c1cnc(Cl)cc1NS(=O)(=O)N1CC(O)C1 2109587206 LUQROFCUROYOLC-UHFFFAOYSA-N 308.703 -0.024 5 10 DBBE C[C@@]1(O)CON(S(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])C1 2149797949 XPWNGGBGEZNSMX-JTQLQIEISA-N 303.296 -0.136 5 10 DBBE NC[C@H]1COC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 2154118796 KYHNPCFMALVEEG-IUCAKERBSA-N 301.324 -0.153 5 10 DBBE CNc1ncnc(N2CCS(=O)(=O)CCN2)c1[N+](=O)[O-] 2173805897 VESGUONFNYEDAN-UHFFFAOYSA-N 302.316 -0.834 5 10 DBBE NCC1(CNS(=O)(=O)c2cncc([N+](=O)[O-])c2)COC1 2176836750 IRNZDDYFSYWIGF-UHFFFAOYSA-N 302.312 -0.757 5 10 DBBE CC(C)n1ncc([N+](=O)[O-])c1N[C@H]1CS(=O)(=O)C[C@H]1O 2240590831 LKYALDZPVRVOQA-IONNQARKSA-N 304.328 -0.058 5 10 DBBE Cc1ncc([N+](=O)[O-])c(=NCC(C)(C)NS(C)(=O)=O)[nH]1 2286683509 RNUQZQOEQWCMGF-UHFFFAOYSA-N 303.344 -0.145 5 10 DBBE CN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 36266848 YNJTVQDUZNVMTR-GHMZBOCLSA-N 319.314 -0.313 5 10 DBBE NS(=O)(=O)CCNC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 88801380 MAOCRYXYERQQGV-UHFFFAOYSA-N 308.703 -0.339 5 10 DBBE NNc1sc(S(=O)(=O)N2CC[C@H](CO)C2)cc1[N+](=O)[O-] 167834234 SGXMFHJWJCVRGV-LURJTMIESA-N 322.368 -0.055 5 10 DBBE NC(=O)[C@@]1(O)CCCN(c2nc(Cl)ncc2[N+](=O)[O-])C1 312266553 HVSXEXMAYNJCFA-SNVBAGLBSA-N 301.690 -0.145 5 10 DBBE NC(=O)CN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1=O 459699563 METPUDVLKNVHQR-UHFFFAOYSA-N 322.321 -0.397 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC(O)(CO)C2)s1 594581199 RMRFZTYCTUMNDZ-UHFFFAOYSA-N 308.337 -0.397 5 10 DBBE Cc1nn(C)c(C(=O)NC[C@H]2CN3CCCN2CC3)c1[N+](=O)[O-] 619874065 XOAQQCRIZJZVQJ-NSHDSACASA-N 322.369 -0.244 5 10 DBBE COc1ccc(S(=O)(=O)Nc2nn[nH]n2)cc1[N+](=O)[O-] 709762752 VUPQNYHJSCPMST-UHFFFAOYSA-N 300.256 -0.083 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCOC(=O)CN1CC(=O)NC1=O 735912552 FVPUCPPAPMLKRR-UHFFFAOYSA-N 311.254 -0.805 5 10 DBBE Cn1cncc1[C@H](CO)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1149212742 CNCLFWOYCMJRGI-VIFPVBQESA-N 321.293 -0.660 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCS(=O)(=O)CCO1 1159741845 UDVWMIJCZWOPQI-UHFFFAOYSA-N 315.307 -0.021 5 10 DBBE CC(=O)NCC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1339478178 NDPSHBGTZZXDBA-VXGBXAGGSA-N 324.337 -0.937 5 10 DBBE O=C1NCCCN1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 1346193140 FDCQQUIDVQESPG-UHFFFAOYSA-N 301.284 -0.402 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=COCCO1 1583025761 NRCQKFBZDOZNQY-BSANDHCLSA-N 311.294 -0.672 5 10 DBBE Cc1nc(C)n(CCN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1688696005 WTWKTORILVFJQL-CHWSQXEVSA-N 322.369 -0.296 5 10 DBBE C[C@@H](CO)N(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1857986657 IKDHFJSLVMCTGG-VIFPVBQESA-N 304.324 -0.041 5 10 DBBE N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)O 1865959479 UPEOVDGATVVUFL-ZETCQYMHSA-N 314.254 -0.140 5 10 DBBE C[C@@](C(=O)O)([C@@H]1CCS(=O)(=O)C1)n1cnc([N+](=O)[O-])n1 2146791643 MBWWBMFZUWKYSA-MUWHJKNJSA-N 304.284 -0.579 5 10 DBBE C[S@](=O)C1CN(S(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])C1 2171956965 MUNPUVIIAJTQPV-IBGZPJMESA-N 319.364 -0.072 5 10 DBBE CNc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1[N+](=O)[O-] 50656758 RGGARMRKJJMCCV-ZCFIWIBFSA-N 302.312 -0.211 5 10 DBBE CC(C)(NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-])C(N)=O 126973954 BSVOQFSWCKQCBB-UHFFFAOYSA-N 302.312 -0.281 5 10 DBBE CS(=O)(=O)N1CCN(c2nc(N)ccc2[N+](=O)[O-])CC1 149739182 FVRIWEJEHOLGEZ-UHFFFAOYSA-N 301.328 -0.346 5 10 DBBE NNc1ncnc(NC[C@@H]2CCCS2(=O)=O)c1[N+](=O)[O-] 155532753 VGLIQILYBIGCND-LURJTMIESA-N 302.316 -0.341 5 10 DBBE CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 216066458 QNZSKTVYGLMSIE-UHFFFAOYSA-N 303.296 -0.291 5 10 DBBE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1CO 599355866 IRQJGNGPQXMNQZ-DTWKUNHWSA-N 318.355 -0.033 5 10 DBBE CN([C@H]1COC[C@H]1O)S(=O)(=O)c1cncc([N+](=O)[O-])c1 709289463 ILRBJNRTQOSLGJ-VHSXEESVSA-N 303.296 -0.630 5 10 DBBE CO[C@@H](C)CS(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])cn1 764205239 AJAXYQVWVKZJJO-QMMMGPOBSA-N 320.327 -0.338 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1154866998 PIGFHSADZVKEKN-SECBINFHSA-N 320.305 -0.500 5 10 DBBE O=C(N[C@H]1C[C@H](O)[C@H](O)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 1155985634 WFEKLUOWTFQEOZ-SLGCYQGISA-N 310.262 -0.063 5 10 DBBE CNS(=O)(=O)C1CCN(c2c([N+](=O)[O-])cnn2C)CC1 1163403296 HYIGHUMDFSVKQF-UHFFFAOYSA-N 303.344 -0.154 5 10 DBBE NS(=O)(=O)NC1CN(c2nc3sccn3c2[N+](=O)[O-])C1 1307187218 FMXXHSFVOPMPQT-UHFFFAOYSA-N 318.340 -0.714 5 10 DBBE Cc1nc[nH]c1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357813506 DGLHDIVYCNMSRA-JAFKPYBISA-N 307.310 -0.214 5 10 DBBE CC[C@@](COC)(NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)OC 1460700056 GIUBKHOSEPGDDT-LBPRGKRZSA-N 314.298 -0.124 5 10 DBBE CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 1535067152 MTTCDUAOCWMTOF-NXEZZACHSA-N 305.356 -0.466 5 10 DBBE Cn1ncc2c1CCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 1583792820 AKELGMKPPOFYEI-UHFFFAOYSA-N 305.298 -0.105 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(=O)NCC12COC2 1583823531 SEJPPMFXEAIQFJ-UHFFFAOYSA-N 306.278 -0.361 5 10 DBBE COC(=O)c1ccnc(N2CCN(C)[C@@H](CO)C2)c1[N+](=O)[O-] 1651316066 XMMKKRRNHOXZJV-SECBINFHSA-N 310.310 -0.111 5 10 DBBE CCN(C)C(C)(C)C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758928846 CQUMUNPUJXVQEN-GHMZBOCLSA-N 314.386 -0.044 5 10 DBBE CN(C(=O)CC1(O)CCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1759956544 CZCQKJVVBURVDA-GHMZBOCLSA-N 311.338 -0.374 5 10 DBBE NC[C@H](Oc1ncc([N+](=O)[O-])cc1Br)C(N)=O 2007459042 HOKUXNATESCPJG-LURJTMIESA-N 305.088 -0.056 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)Cc1ccccc1[N+](=O)[O-] 2152953272 KSBDNAVCEHAFAT-QMMMGPOBSA-N 301.324 -0.070 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCONC2)ccc1O 2155323360 JVZGSGVNRQXRBZ-SSDOTTSWSA-N 303.296 -0.128 5 10 DBBE Cc1nn(CCO)c(C)c1S(=O)(=O)N1CC([N+](=O)[O-])C1 2191527404 CYQOUCCOIAFBFS-UHFFFAOYSA-N 304.328 -0.858 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCS(=O)(=O)[C@@H](C(=O)O)C1 2197723044 ZUQCGLNXFHNTML-ZCFIWIBFSA-N 304.284 -0.984 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@@H](N)[C@@H](C)O)cc1[N+](=O)[O-] 80748764 HRGJJJBZRCUWCE-PSASIEDQSA-N 303.340 -0.110 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 147420228 CAJCYLBWTGVUNR-UHFFFAOYSA-N 303.300 -0.876 5 10 DBBE NNc1ncnc(N[C@@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-] 160367858 CPIDQKNOWJUSQQ-ZCFIWIBFSA-N 302.316 -0.341 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2cccnn2)CC1 195047226 QEEPSYGKPALJKJ-UHFFFAOYSA-N 317.309 -0.070 5 10 DBBE CC(C)N(C[C@H](O)CO)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593609094 PVJZIUWCOHKQRU-JTQLQIEISA-N 319.339 -0.258 5 10 DBBE CNS(=O)(=O)CCN1CCc2ncc([N+](=O)[O-])cc2C1 598603142 YGDXZDQAYJLVHG-UHFFFAOYSA-N 300.340 -0.103 5 10 DBBE C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCNC1 599097745 MGWRIQSFMLVYAR-IUCAKERBSA-N 317.371 -0.005 5 10 DBBE Cn1[nH]c(=O)c(=O)nc1Sc1nc(F)ncc1[N+](=O)[O-] 689019317 RLXSSFBQHNSVLE-UHFFFAOYSA-N 300.231 -0.543 5 10 DBBE CN1CCC(O)(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1136991005 DPGAZZKQPIYLOX-UHFFFAOYSA-N 324.337 -0.671 5 10 DBBE CN1CCC[C@](O)(CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1137377620 OHCGXZLNIYESQP-ZDUSSCGKSA-N 311.342 -0.246 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCCS(=O)(=O)C1CC1 1142255914 RDBZIECXONXZII-UHFFFAOYSA-N 302.312 -0.365 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H](O)[C@H]1CCCO1 1453441391 ZWERNJXDGVWZSH-NWDGAFQWSA-N 311.294 -0.587 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCCCS(C)(=O)=O)n1 1536926959 NGKVNIVSBJRIHR-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE Cc1nc(N2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)n[nH]1 1639620481 QXFYMTZQEKWNJU-UHFFFAOYSA-N 320.313 -0.283 5 10 DBBE CONC(=O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 1639793382 LDNMPTIBNVLLJZ-UHFFFAOYSA-N 324.293 -0.573 5 10 DBBE CN(CCNc1c([N+](=O)[O-])ncn1C)CCS(C)(=O)=O 1640354701 CYSCALODQAFWGM-UHFFFAOYSA-N 305.360 -0.283 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC[C@@H](O)CO 1653202981 FZALSFWMTMMRHY-SECBINFHSA-N 321.289 -0.009 5 10 DBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CC[C@H](O)C1 1866341641 VBDFSWVFHGOOOI-VIFPVBQESA-N 319.273 -0.216 5 10 DBBE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc([N+](=O)[O-])s1 2121331165 WKWBPOFQDYMXHV-WDSKDSINSA-N 306.321 -0.456 5 10 DBBE CCc1nn(C)c(NCCCNS(N)(=O)=O)c1[N+](=O)[O-] 2157535945 AWGYWMCKLAGOKC-UHFFFAOYSA-N 306.348 -0.514 5 10 DBBE NS(=O)(=O)NCCCNc1nc2sccn2c1[N+](=O)[O-] 2157537079 MYKYDZNZUDCCTJ-UHFFFAOYSA-N 320.356 -0.101 5 10 DBBE Nc1ccc([N+](=O)[O-])c(CN2CCS(=O)(=O)CCN2)c1 2165094003 UCBWMVISZJNCBN-UHFFFAOYSA-N 300.340 -0.088 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N=[S@](C)(=O)CC2CNC2)n1 2186531761 IFMIQERLAZWROI-HXUWFJFHSA-N 301.328 -0.214 5 10 DBBE C[C@H](O)c1cc([N+](=O)[O-])c(N2C[C@@H](O)[C@@H](O)[C@H]2CO)s1 2357910987 XNXVOXRRFNHDAL-MUNAIBHASA-N 304.324 -0.388 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NN1CCOCC1 148569076 FMPDAGRRZUQYNY-UHFFFAOYSA-N 317.327 -0.594 5 10 DBBE O=C(O)c1cc(N2CCS(=O)(=O)CC2)ncc1[N+](=O)[O-] 236460477 FRFCDMSAUADKFT-UHFFFAOYSA-N 301.280 -0.077 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)ccc1O 236601395 FDFAWEAPPOXYKI-UWVGGRQHSA-N 304.280 -0.974 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)c1cncc([N+](=O)[O-])c1)C(=O)O 312254016 FYVOPUOICCWDCH-SVGQVSJJSA-N 305.268 -0.898 5 10 DBBE CNS(=O)(=O)c1ccc(N[C@H]2CCNC2=O)c([N+](=O)[O-])c1 596312717 YWKLFPKUKNULQF-VIFPVBQESA-N 314.323 -0.197 5 10 DBBE CS(=O)(=O)NC[C@H]1COCCN1c1ccc([N+](=O)[O-])nc1 599185146 LFLJJYGOPHMDHK-JTQLQIEISA-N 316.339 -0.256 5 10 DBBE CS(=O)(=O)NC1CN(c2cc([N+](=O)[O-])cc(NN)n2)C1 703145343 JSARPLAVHYFVNA-UHFFFAOYSA-N 302.316 -0.987 5 10 DBBE CS(=O)(=O)NC1CN(c2nc(NN)ccc2[N+](=O)[O-])C1 705465588 MHDGKQNPWCKXTK-UHFFFAOYSA-N 302.316 -0.987 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2O)c1 800804113 ZEAUHJIXLGLSDF-ZJUUUORDSA-N 321.332 -0.474 5 10 DBBE O=C(N[C@H]1CCN(c2ccc3nncn3n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 862788300 HOQSHMRXCAIMIL-IVZWLZJFSA-N 317.309 -0.516 5 10 DBBE COC(=O)/C=C/[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1159785220 RKXNMIOYBGYCMK-CDAZIORVSA-N 309.278 -0.010 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCO[C@H](CS(C)(=O)=O)C2)n1 1307222210 KQMRXHAIOCKNIN-QMMMGPOBSA-N 304.328 -0.422 5 10 DBBE CO[C@H](C)CC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331544806 ZYPANXNUAVLKTG-ZCFIWIBFSA-N 306.300 -0.442 5 10 DBBE CC(C)(CCC(=O)NC[C@]1(O)CCS(=O)(=O)C1)[N+](=O)[O-] 1449712300 XEMUKIUQTHUXAA-LLVKDONJSA-N 308.356 -0.512 5 10 DBBE Cn1c(=O)on(S(=O)(=O)c2ccccc2[N+](=O)[O-])c1=O 1615199141 GAKLPWJWYXQKRA-UHFFFAOYSA-N 301.236 -0.715 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CO)[C@H](C)O 2174124069 RJYGBDUQZASGAC-WPRPVWTQSA-N 304.324 -0.077 5 10 DBBE Cc1nc(CO[C@@H]2CS(=O)(=O)C[C@@H]2N)ccc1[N+](=O)[O-] 2177961296 FICJBYKVXBGXTQ-GXSJLCMTSA-N 301.324 -0.061 5 10 DBBE NNc1cccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)c1[N+](=O)[O-] 2177964281 XWYJLTZTRRJPBS-RKDXNWHRSA-N 302.312 -0.550 5 10 DBBE CS(=O)(=O)NCCNc1cc(C(N)=O)ccc1[N+](=O)[O-] 212848629 VBVPXHAWAWTVFZ-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])S(N)(=O)=O 350620108 LRMIXZAMTMCDRR-MRVPVSSYSA-N 301.324 -0.070 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)nc1 599391560 KRFVFHUWGHLHSF-UWVGGRQHSA-N 317.323 -0.192 5 10 DBBE O=C(CNS(=O)(=O)c1ncccc1[N+](=O)[O-])NC1CC1 849369556 YIJLWNDBSONXAH-UHFFFAOYSA-N 300.296 -0.453 5 10 DBBE COC(=O)N(C)CCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 852571346 XSHCKVJDQIZKBN-NSHDSACASA-N 315.330 -0.218 5 10 DBBE CNC(=O)[C@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCO1 1138144999 LPNPMNXRQUSBNS-RXMQYKEDSA-N 317.689 -0.442 5 10 DBBE CC(=O)NC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCO1 1319154018 YNPVVQOUYVLSME-NSHDSACASA-N 308.294 -0.033 5 10 DBBE CN(C)C(=O)c1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)ccn1 1321954854 WTQIYUPMXFSKKC-UHFFFAOYSA-N 319.281 -0.078 5 10 DBBE O=[N+]([O-])c1cnc(N2CCO[C@]3(CCS(=O)(=O)C3)C2)nc1 1329251468 BWTXAYGUQHCHFS-LLVKDONJSA-N 314.323 -0.221 5 10 DBBE O=C(NC[C@@H](O)CO)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 1558673954 YOMYVKSSTXIXKK-CYBMUJFWSA-N 320.305 -0.077 5 10 DBBE O=C(NC[C@@]1(CO)COC[C@@H]2CCCN21)c1ccc([N+](=O)[O-])[nH]1 1558840961 VTTWQSAZHOIOTD-IINYFYTJSA-N 324.337 -0.122 5 10 DBBE COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(S(N)(=O)=O)C1 1570262382 INRIIHXCECJPAW-UHFFFAOYSA-N 315.307 -0.284 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1[nH]cnc1C 1704275573 GHNAJDBVUIJHFW-ZYHUDNBSSA-N 323.353 -0.109 5 10 DBBE CC(=O)NCC(=O)NC/C=C\CNCc1c([N+](=O)[O-])ncn1C 1732818278 SDFCWVNPUBNOAD-ARJAWSKDSA-N 324.341 -0.774 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Br)c1=NCC(O)(CO)CO 1913800971 WGYHBBSHKVCGBT-UHFFFAOYSA-N 322.115 -0.698 5 10 DBBE Nc1sc(S(=O)(=O)N2CC(OCCO)C2)cc1[N+](=O)[O-] 2152290068 OYYHQDFBFAFEFR-UHFFFAOYSA-N 323.352 -0.380 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@@H](O)CO)ccc1F 2182235340 SXBDQFNOWLBCBK-SSDOTTSWSA-N 308.287 -0.245 5 10 DBBE O=C1C[C@@H](NS(=O)(=O)c2cncc([N+](=O)[O-])c2)CCN1 2186331867 IWVTYGHPCAJJEX-ZETCQYMHSA-N 300.296 -0.453 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NCC1(C)CCS(=O)(=O)CC1 2194287121 IFVVTQDKGGUCGS-UHFFFAOYSA-N 303.344 -0.228 5 10 DBBE Cc1nc(Cl)nc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c1[N+](=O)[O-] 2201038974 SZAYARXGJFWTGM-VMHSAVOQSA-N 304.690 -0.751 5 10 DBBE CCc1ncc([N+](=O)[O-])c(=NCC2(S(N)(=O)=O)CC2)[nH]1 2286678633 VSYBCZJKPAEOOV-UHFFFAOYSA-N 301.328 -0.398 5 10 DBBE CO[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 36265001 IZXYITWPBQXDAE-KOLCDFICSA-N 319.314 -0.001 5 10 DBBE COc1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)nn1C 547844632 OZMDGNUQYWDYBV-UHFFFAOYSA-N 309.286 0.355 5 10 DBBE O=C1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN1 598593806 WSEYMZDHUOIOFQ-UHFFFAOYSA-N 322.325 -0.452 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NN1CCc2ccccc2C1=O 762650724 YQTZIHUFHGSXCO-UHFFFAOYSA-N 316.277 -0.084 5 10 DBBE Cn1ncc(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n1 805207461 LCOLXGNFBZKCFQ-UHFFFAOYSA-N 318.293 -0.231 5 10 DBBE Cc1cc(S(N)(=O)=O)ccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1155798131 RHDCXWISMXWCSV-GHMZBOCLSA-N 313.335 -0.076 5 10 DBBE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 1318561674 QMBHLDORMKVAGI-YUMQZZPRSA-N 319.343 -0.534 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCS(=O)(=O)C2CC2)n1 1525473286 YFHSYFTYUMVVEM-UHFFFAOYSA-N 302.312 -0.365 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(O)nc1 1533495212 XZPWOIVMDZMTEO-COUIAZAYSA-N 320.305 -0.145 5 10 DBBE CS(=O)(=O)c1ccc(C(=O)N2CC=C(N)N2)c([N+](=O)[O-])c1 1538254503 MOJDYLBWSYEQGM-UHFFFAOYSA-N 312.307 -0.241 5 10 DBBE CNC(=O)N1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1567607809 RMAOQCAZFHPUGZ-UHFFFAOYSA-N 308.298 -0.331 5 10 DBBE NC(=O)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)O 1866092218 QMTFJRBBBXMAEG-SSDOTTSWSA-N 311.250 -0.251 5 10 DBBE CS(=O)(=O)c1ccc(N[C@@H](CO)C(=O)O)c([N+](=O)[O-])c1 1962726315 FZFWLEMABJFRKK-QMMMGPOBSA-N 304.280 -0.144 5 10 DBBE NC[C@@H]1COC[C@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2154120865 WDXAMZSWSFEEKR-GMSGAONNSA-N 302.312 -0.758 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N=[S@]2(=O)CC[C@H](CN)C2)n1 2186528801 XYPNKUCEZKEFKB-GLEHDBDLSA-N 301.328 -0.085 5 10 DBBE N=c1[nH]c(N2CC(S(=O)(=O)C(F)F)C2)ncc1[N+](=O)[O-] 2206693846 ZUPHLBLBGYDAJR-UHFFFAOYSA-N 309.254 -0.377 5 10 DBBE C[C@@H](CN=c1[nH]c(C2CC2)ncc1[N+](=O)[O-])S(N)(=O)=O 2286626965 UAVMTVIVKSWTCN-LURJTMIESA-N 301.328 -0.227 5 10 DBBE COc1ccc(S(=O)(=O)N2C[C@@H](O)CO2)c([N+](=O)[O-])c1 312687012 AUBJNUAOVATBNU-SSDOTTSWSA-N 304.280 -0.100 5 10 DBBE CNc1nccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] 594387111 RENGPDCYMRFFIB-VHSXEESVSA-N 321.337 -0.078 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COCCN2)nc1 599107654 QNVZVTDWSQSJAB-QMMMGPOBSA-N 302.312 -0.744 5 10 DBBE CN(C)C[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 717333166 QDRAWKOSCUCIPU-QMMMGPOBSA-N 304.328 -0.809 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC3(CNC3)C2)cc1 725373235 DWKCAMSNRSAWPM-UHFFFAOYSA-N 313.335 -0.042 5 10 DBBE O=C(Cn1ccnc1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941007268 IWVFFRVWSREVSS-VXGBXAGGSA-N 321.337 -0.391 5 10 DBBE CCc1nc[nH]c1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1293304417 VWEULRFBUZYKJA-PSASIEDQSA-N 309.326 -0.127 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN[C@](C)(Cn1cccn1)C(N)=O 1308147511 HRPWYMYWXWKGHL-CYBMUJFWSA-N 321.341 -0.170 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@@H]2CCCOC2)n1 1329034039 QACQCNCFJHXVPE-SSDOTTSWSA-N 318.311 -0.440 5 10 DBBE Cc1[nH]nc(C(=O)N[C@@H](CO)Cc2cnn(C)c2)c1[N+](=O)[O-] 1469176559 HSZXENBXJIYYKO-SECBINFHSA-N 308.298 -0.307 5 10 DBBE CNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 1596929889 HMBRPJGDWMKKAK-UHFFFAOYSA-N 309.326 -0.183 5 10 DBBE O=[N+]([O-])c1cnc(N2CCN3[C@H](CNS3(=O)=O)C2)c(F)c1 1612963391 OKOCTIXMLRLHAX-MRVPVSSYSA-N 317.302 -0.533 5 10 DBBE CN(C(=O)CN1C[C@H](O)[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 1618438611 MKMDGEWWNNKAHJ-MFKMUULPSA-N 309.322 -0.157 5 10 DBBE C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[S@]1=O 1638516004 MUAJJQKDHPIGJU-FFVOIRBGSA-N 301.328 -0.444 5 10 DBBE CC(=O)NCCN1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 1713077260 WWMIOLLSVPADDT-UHFFFAOYSA-N 310.358 -0.418 5 10 DBBE CC(C)N(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nc[nH]n1 1721260762 HPIQSQADJGIBSY-NXEZZACHSA-N 324.341 -0.173 5 10 DBBE NC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC1 1861034489 YRKHZIURLZLRCE-NSHDSACASA-N 320.305 -0.153 5 10 DBBE CC[C@@H](CS(C)(=O)=O)N=c1cc([N+](=O)[O-])cc(NN)[nH]1 2146298878 GFJZFOYFUQLGBZ-ZETCQYMHSA-N 303.344 -0.068 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1 2149265848 FKGWBAGQZRQDST-HZGVNTEJSA-N 305.287 -0.120 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC1([C@@H](O)CO)CC1 2190119858 QXTKCWGSFMFTPB-JTQLQIEISA-N 302.308 -0.241 5 10 DBBE Cc1nc(=NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)n(C)[nH]1 2205712740 HSVDGXSQKAUJNX-UHFFFAOYSA-N 318.340 -0.102 5 10 DBBE Nc1sc(S(=O)(=O)N2CC[C@@H]2[C@@H](O)CO)cc1[N+](=O)[O-] 2286224891 IPABGYVTJZHYBB-VDTYLAMSSA-N 323.352 -0.645 5 10 DBBE Nc1cc(C(=O)NCCCS(N)(=O)=O)c([N+](=O)[O-])cc1F 50707565 IRHVZGBYXIRXBN-UHFFFAOYSA-N 320.302 -0.276 5 10 DBBE CNc1cc(C)c(S(=O)(=O)NCC(N)=O)cc1[N+](=O)[O-] 94780452 COBFNTDEXDMTRI-UHFFFAOYSA-N 302.312 -0.291 5 10 DBBE O=[N+]([O-])c1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1 100820227 IXFOBQXJWRLXMD-LZQZFOIKSA-N 317.319 -0.513 5 10 DBBE Nc1sc(S(=O)(=O)N2CCNC(=O)CC2)cc1[N+](=O)[O-] 125571320 GPWJFFULQZJKBZ-UHFFFAOYSA-N 320.352 -0.251 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(NN)c2)C1 131309830 OJWNNMRRRNSVKV-QMMMGPOBSA-N 315.355 -0.137 5 10 DBBE CN(C)C(=O)COc1c(F)cc([N+](=O)[O-])cc1S(N)(=O)=O 215958589 WWXFSBWFVQJNBQ-UHFFFAOYSA-N 321.286 -0.152 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1COC[C@@H]1O 323369945 DIMFPITYSWQCMX-IUCAKERBSA-N 303.296 -0.785 5 10 DBBE Nc1nc(N[C@H]2CCN(C3CCOCC3)C2=O)ncc1[N+](=O)[O-] 364889061 QQXJJXZMUIGUEP-VIFPVBQESA-N 322.325 0.159 5 10 DBBE CC1(C)NC(=O)N(CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O 490983115 AJKBPCKQFCKBRH-UHFFFAOYSA-N 324.297 -0.762 5 10 DBBE C[C@@](O)(CO)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] 567877346 NJCQMZZZLJGBLY-MFKMUULPSA-N 300.311 -0.333 5 10 DBBE CN1CC=C(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599272254 NMFBMDDCMLYXOV-UHFFFAOYSA-N 315.355 -0.132 5 10 DBBE C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H](O)CO 698921952 YTSCZPRCQWAGBM-MUWHJKNJSA-N 308.287 -0.246 5 10 DBBE N[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 721919639 IGGCEWLQASMLLK-RKDXNWHRSA-N 302.312 -0.616 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@]2(CO)CCCNC2)cc1 725373255 FXAOKKPRAFEJBS-LBPRGKRZSA-N 315.351 -0.012 5 10 DBBE COC(=O)N1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 726552381 JTDMZAJCSMVZCL-MRVPVSSYSA-N 312.286 -0.467 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@@H](CO)[C@@H](O)C1 1138191114 VIOOOZMFSIXLBU-WDSKDSINSA-N 304.690 -0.213 5 10 DBBE Cn1cc([N+](=O)[O-])c(NCCS(=O)(=O)N2CCOCC2)n1 1185088806 NMQCZFSLZSKLDA-UHFFFAOYSA-N 319.343 -0.598 5 10 DBBE COC(=O)c1nn(CC(=O)N=S(C)(C)=O)cc1[N+](=O)[O-] 1307387855 RAAVVEQJHFDPDC-UHFFFAOYSA-N 304.284 -0.168 5 10 DBBE COC(=O)[C@H](Cn1ccnc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1329156268 YCSPJDNZWKNWMU-QMMMGPOBSA-N 322.281 -0.504 5 10 DBBE O=C(NCCN1CCC2(C1)OCCO2)c1n[nH]cc1[N+](=O)[O-] 1629963716 ZCVZQRKKQJTBED-UHFFFAOYSA-N 311.298 -0.504 5 10 DBBE C[S@](=O)(CCN)=NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 1924727091 LOIGVGZMRPBNCP-SFHVURJKSA-N 308.341 -0.265 5 10 DBBE NC1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])COC1 2151385603 SOFPUHZVXZIJFK-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1(N)COC1 2151411630 RBZSOJFDCZCFAS-UHFFFAOYSA-N 301.324 -0.091 5 10 DBBE CO[C@H](CCO)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 2168517982 PFBCBKHYDCFLIW-SECBINFHSA-N 305.312 -0.335 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 2192675241 IEGPFDFNQMYSMR-HTRCEHHLSA-N 319.364 -0.229 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1N=c1[nH]c(F)ncc1[N+](=O)[O-] 2207468615 CPUXHNWBJZHVDF-FSPLSTOPSA-N 306.275 -0.830 5 10 DBBE CN(C)CCNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 36895460 MKKJXBDLQHZLNT-UHFFFAOYSA-N 303.344 -0.280 5 10 DBBE CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302392 VPCJGCGDKUURBW-VIFPVBQESA-N 314.323 -0.111 5 10 DBBE O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1C[C@H](O)CO 158049967 BCIAYORYHXVUAG-ZETCQYMHSA-N 302.264 -0.908 5 10 DBBE NNc1c(CN2CCCNS2(=O)=O)cccc1[N+](=O)[O-] 308401982 VGVPHLXUWMMQSE-UHFFFAOYSA-N 301.328 -0.080 5 10 DBBE NNc1ccc([N+](=O)[O-])c(NCCCCS(N)(=O)=O)n1 312319043 DAWNCNVVBGHQAZ-UHFFFAOYSA-N 304.332 -0.244 5 10 DBBE CCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 531887921 DWBUVDCQAXWNHB-UHFFFAOYSA-N 321.337 -0.116 5 10 DBBE C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])S(C)(=O)=O 594764797 BGVTXMOWKBVZBG-ZETCQYMHSA-N 323.352 -0.299 5 10 DBBE CCn1cc(S(=O)(=O)N[C@@H]2CCN[C@H]2C)c([N+](=O)[O-])n1 599111350 HXHQEDLVAVTEBZ-JGVFFNPUSA-N 303.344 -0.160 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CNC[C@H]1O 699918258 GZHCFGZKQONMJP-NXEZZACHSA-N 301.324 -0.486 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CNC[C@@H]1O 699962017 HRHDURWWIILTLM-SFYZADRCSA-N 305.287 -0.655 5 10 DBBE O=C(O)[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 715229792 KXOZKXUTAYVSSL-HTRCEHHLSA-N 301.280 -0.011 5 10 DBBE C[C@H](O)[C@@H](O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 717402447 RFMYBOSNQGUKGB-KWQFWETISA-N 304.324 -0.244 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@H]2c2ncno2)c1 1327347561 SZLLSLZATPYGFY-QWRGUYRKSA-N 324.297 -0.391 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 1467810862 GELNXIYFNVUEFF-NWDGAFQWSA-N 323.353 -0.233 5 10 DBBE CC1(O)CN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C1 1618753395 TVKSEJWTRZKKGP-UHFFFAOYSA-N 304.266 -0.223 5 10 DBBE C[C@H](O)CN1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1634586786 CCBHJSKHHMIBID-VIFPVBQESA-N 309.326 -0.289 5 10 DBBE Cc1cc(O)nc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1638200353 VNUOAJKYNHSPBN-OPRDCNLKSA-N 307.310 -0.149 5 10 DBBE NC[C@H]1COC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2154118403 IHUDUSNQHQMIRA-KWQFWETISA-N 301.324 -0.153 5 10 DBBE NNc1cc(S(=O)(=O)NCC2COC2)ccc1[N+](=O)[O-] 2154134063 VLHOCYCMBJGXFX-UHFFFAOYSA-N 302.312 -0.195 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C[C@H]2O)c1 2164975536 CYJWJXMFDFMTGM-FBIMIBRVSA-N 302.308 -0.243 5 10 DBBE NNc1ncnc(N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1[N+](=O)[O-] 2174639640 CRBKPGJYNJDBPQ-FMCRUOTFSA-N 300.300 -0.875 5 10 DBBE C[C@@](N)(CO)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2181126829 KNDWUKWOQSJVFJ-JTQLQIEISA-N 304.328 -0.636 5 10 DBBE Nc1ccc(S(=O)(=O)NC2(CO)COC2)cc1[N+](=O)[O-] 2189264039 XGZYKFISGCFNPW-UHFFFAOYSA-N 303.296 -0.783 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1Nc1nccc(N)c1[N+](=O)[O-] 2207471053 OIDYHSHPGOSDRL-HTQZYQBOSA-N 302.312 -0.204 5 10 DBBE Nc1nc[nH]c(=NCCS(=O)(=O)C(F)(F)F)c1[N+](=O)[O-] 2232506018 OITGDRMFGCMALG-UHFFFAOYSA-N 315.233 -0.265 5 10 DBBE Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC(CO)CO)cc1C 87752639 LISVMZDVKQEGNF-UHFFFAOYSA-N 304.324 -0.157 5 10 DBBE Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)NCCC(N)=O 94780538 RSBNYEMOJRXKOH-UHFFFAOYSA-N 302.312 -0.361 5 10 DBBE Cc1nc(CN2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)n[nH]1 160699661 DXAZTPHXVRQJIT-UHFFFAOYSA-N 320.313 -0.298 5 10 DBBE COCCN1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1=O 190775941 BBSBIKHDGXMJCO-UHFFFAOYSA-N 311.342 -0.028 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@@H](O)[C@@H](C)O)cc1[N+](=O)[O-] 717400060 BWOPZXGZEOHOJD-LDYMZIIASA-N 304.324 -0.077 5 10 DBBE O=C1NC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 725373820 XELOHEJSGNQJJF-GZMMTYOYSA-N 311.319 -0.039 5 10 DBBE O=C(NCCN(CCN1CCCC1=O)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1267326068 OXTRGOXPCDOSAG-CHWSQXEVSA-N 324.381 -0.145 5 10 DBBE Cn1nnc(CNCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)n1 1269545599 WKNGRDYVTNELGP-NXEZZACHSA-N 323.357 -0.606 5 10 DBBE CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](CO)C1 1460471251 MJRANLPLGNGCIQ-LBPRGKRZSA-N 308.338 -0.198 5 10 DBBE COC[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)OC 1466394446 UAMCGBMWWLQGPJ-MRVPVSSYSA-N 313.266 -0.939 5 10 DBBE O=C(CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CCC1 1491017731 UYNKHUKDPGWABM-YVECIDJPSA-N 324.381 -0.195 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)NN1CCS(=O)(=O)CC1 1557549900 TXIKWDDTMBNQFB-UHFFFAOYSA-N 314.323 -0.448 5 10 DBBE COCCN1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1565606261 UTZLCASCEQRJKJ-UHFFFAOYSA-N 309.326 -0.024 5 10 DBBE COC(=O)[C@@H]1COCCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 1630471868 WMJGKRXKFCWCRY-VIFPVBQESA-N 310.266 -0.414 5 10 DBBE CN(CCNC(=O)C1(N(C)C)CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704215516 HJOBXJJQHJBWFX-GHMZBOCLSA-N 312.370 -0.290 5 10 DBBE Cc1nc(C)n(CCNC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1716292998 WDHRQDPIOLHLQA-CDJBXZAQSA-N 322.369 -0.178 5 10 DBBE Cn1cc(C(=O)N2CCC(C(N)=O)CC2)cc([N+](=O)[O-])c1=O 1889795975 PZDQDHVADVLTRN-UHFFFAOYSA-N 308.294 -0.369 5 10 DBBE O=C(O)[C@H](O)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 1940166270 XIIAMXOQFDPRKE-ZCFIWIBFSA-N 307.056 -0.036 5 10 DBBE Cn1cc([N+](=O)[O-])c(C[S@@](=O)C(C)(C)[C@@H](N)C(=O)O)n1 2195306097 XTNAUCONJHINOP-FFVOIRBGSA-N 304.328 -0.233 5 10 DBBE COC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1csc([N+](=O)[O-])c1 2233875412 YDOOKJIHFGUTKE-WEDXCCLWSA-N 302.308 -0.151 5 10 DBBE O=C(Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1NC[C@@H](O)[C@@H]1O 2288521896 IKYLQVSQVVZNMU-PRJMDXOYSA-N 302.674 -0.725 5 10 DBBE CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 43592353 GFMGFUVMSREECP-UWVGGRQHSA-N 319.314 -0.001 5 10 DBBE O=C(Cc1nnn[nH]1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 169861598 GKXAXLBMMMJQKA-UHFFFAOYSA-N 318.297 -0.606 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCSC[C@@H]2CCO)c1 347384674 WZDNTFSNOBYLHR-CMPLNLGQSA-N 316.383 -0.048 5 10 DBBE CN(C)C(=O)NCCN(C)c1ncc([N+](=O)[O-])cc1C(N)=O 355764813 ZUVILTPLFZCQJX-UHFFFAOYSA-N 310.314 -0.204 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCNC3)CC2)n1 564933245 DLRJTAKFSNHWGO-NSHDSACASA-N 322.369 -0.069 5 10 DBBE COC(=O)c1cc(C)nc(NCCc2nnnn2C)c1[N+](=O)[O-] 588011691 HHQRPXKOFOCHTQ-UHFFFAOYSA-N 321.297 0.263 5 10 DBBE COC(=O)[C@H](CCF)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 593803324 IUYBUDNVTRTLOK-VIFPVBQESA-N 315.257 -0.226 5 10 DBBE C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594769209 DSWPLHIIXRDPJQ-GZMMTYOYSA-N 317.323 -0.192 5 10 DBBE CN1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC1=O 599237819 GFRDOOGKSXLJCG-SSDOTTSWSA-N 317.327 -0.773 5 10 DBBE CN(CCNS(C)(=O)=O)c1cc(NN)cc([N+](=O)[O-])c1 691094551 HZHMFBIIHSAYKJ-UHFFFAOYSA-N 303.344 -0.134 5 10 DBBE N[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 721919332 IGGCEWLQASMLLK-BDAKNGLRSA-N 302.312 -0.616 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](O)CN1CCCC1=O 1150451544 JMUTZRTUCTYRLR-QMMMGPOBSA-N 311.298 -0.959 5 10 DBBE O=C(NC/C=C\CNCc1nnnn1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1321058265 WLFVAGVDBOORSG-JLVKAVFRSA-N 321.341 -0.565 5 10 DBBE Cn1cc(CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)nn1 1349655246 DASUZCMFZPXBRR-UHFFFAOYSA-N 318.293 -0.344 5 10 DBBE CNC(=O)CN(C)C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1435988627 IYTZFZQTUDAWMQ-UHFFFAOYSA-N 318.293 -0.007 5 10 DBBE COc1cc([N+](=O)[O-])cn(CCN2CCCS2(=O)=O)c1=O 1459208127 AVCXUWAEOKVXAJ-UHFFFAOYSA-N 317.323 -0.199 5 10 DBBE CC(C)CNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1491017354 IHOWTMWWLWPMTM-WRWGMCAJSA-N 312.370 -0.339 5 10 DBBE O=C(NC1CN(C(=O)CCCN2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1530430888 DQUMQDOHGAJDRM-CHWSQXEVSA-N 324.381 -0.145 5 10 DBBE CN1C[C@@H](O)[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)C1 2146527987 IOUPYYBQCQLXQJ-IYSWYEEDSA-N 322.368 -0.808 5 10 DBBE CS(=O)(=O)c1cccc(N2CCNNCC2)c1[N+](=O)[O-] 2152176391 YNDHCKHHKLWHLZ-UHFFFAOYSA-N 300.340 -0.088 5 10 DBBE O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)O1 2153376567 XMFIRIVNYQWVEK-SSDOTTSWSA-N 303.252 -0.231 5 10 DBBE CCS(=O)(=O)[C@@H]1CCN(c2nc(=N)[nH]cc2[N+](=O)[O-])C1 2179903460 XXMLWEWAEAZINX-SSDOTTSWSA-N 301.328 -0.189 5 10 DBBE NC[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2187584411 PDORXHISTRCIQN-YUMQZZPRSA-N 302.312 -0.928 5 10 DBBE N[C@@H]1CCOCCN1S(=O)(=O)c1cncc([N+](=O)[O-])c1 2285283818 OYARSNDDAFLAEU-JTQLQIEISA-N 302.312 -0.314 5 10 DBBE C[C@H](O)[C@H](N)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 80737499 RVJHGRBPTUQBNM-POYBYMJQSA-N 307.303 -0.280 5 10 DBBE O=C(O)c1cccc([N+](=O)[O-])c1O[C@H]1CS(=O)(=O)C[C@@H]1O 137215438 OCLLVRBYNLNBIT-IUCAKERBSA-N 317.275 -0.170 5 10 DBBE CCCn1cc([N+](=O)[O-])c(=O)n(C[C@@H](O)CC(=O)O)c1=O 166897957 MMUMDANZCGGXRR-ZETCQYMHSA-N 301.255 -0.836 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC[C@H]2CO)cn1 168675902 OOMPBBDRFLXQJN-MRVPVSSYSA-N 303.296 -0.628 5 10 DBBE CCn1c(N)c(N(C)CCn2cc([N+](=O)[O-])cn2)c(=O)[nH]c1=O 174841977 LQGCRNNIZQLHQH-UHFFFAOYSA-N 323.313 -0.620 5 10 DBBE CN([C@H]1CNC[C@@H]1O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 209481070 MXQRAPUTPYLROE-QWRGUYRKSA-N 301.324 -0.452 5 10 DBBE CNC(=O)CCOc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 216085315 RHELYSPXSSPERZ-UHFFFAOYSA-N 303.296 -0.243 5 10 DBBE Cn1cnnc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 594386988 PVXOLKAZSGEBAC-UHFFFAOYSA-N 320.313 -0.731 5 10 DBBE CN1CCC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 599250680 QVPDGJSGDUARMF-SSDOTTSWSA-N 317.327 -0.773 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2COCC[C@H]2O)c1 710964699 XEOBCFQGFCHPJK-VHSXEESVSA-N 303.296 -0.582 5 10 DBBE CCON(C)C(=O)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1328831818 FXNNCJDHYPAPBT-UHFFFAOYSA-N 312.282 -0.717 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1C[C@H](O)[C@@H](CO)C1 1451193374 WNHZABSPMUWPOC-XCBNKYQSSA-N 310.262 -0.251 5 10 DBBE CNC(=O)CN1CCCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 1655870983 YPASBAUWWMKUHX-UHFFFAOYSA-N 308.342 -0.049 5 10 DBBE Cc1nc(C)n(CCN(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1707378464 MSDQWBQTRKLVDA-CHWSQXEVSA-N 324.385 -0.002 5 10 DBBE CN(C)CCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1720886085 BLLHQJBKOKVVLU-HMUNZLOLSA-N 310.354 -0.824 5 10 DBBE CCCN(CCNC(=O)c1cnn[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737865201 ZNAXBIUCTQFFMG-PSASIEDQSA-N 310.314 -0.562 5 10 DBBE COCCS(=O)(=O)CCNc1[nH]c(=N)ccc1[N+](=O)[O-] 2204671710 UYTLTHFJGODPCW-UHFFFAOYSA-N 304.328 -0.125 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@@H]2CC[C@@H]2O)n1 2240654963 WZYHVAIMFJNEED-XVKPBYJWSA-N 304.328 -0.481 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(=O)[nH]c(=O)[nH]1 59432278 FINJWGIOQHYERM-UHFFFAOYSA-N 306.234 -0.011 5 10 DBBE CN(C[C@@H]1CNCCO1)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 126195543 XEFJOFBFFYOQEZ-VIFPVBQESA-N 316.339 -0.401 5 10 DBBE CC(C)[C@@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O 255206902 DNAWGBOKUFFVMB-VSMFUXOOSA-N 315.366 -0.315 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC(C)(CO)CO)n1 427689981 KXLXNWAIEWCHFD-UHFFFAOYSA-N 300.315 -0.126 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(CN2CCOCC2)C1 590558796 VPHTUHJGEUYWIL-UHFFFAOYSA-N 323.353 -0.110 5 10 DBBE CCn1nncc1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599358654 KZZDTUBFGLCDOR-UHFFFAOYSA-N 315.315 -0.582 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1nc(N)ccc1[N+](=O)[O-] 696997431 RQQDAGZWGJYOGP-POYBYMJQSA-N 302.312 -0.204 5 10 DBBE Cc1nc(N)nc(NCC2(S(N)(=O)=O)CC2)c1[N+](=O)[O-] 713948110 IKFQDFCUPFTDLY-UHFFFAOYSA-N 302.316 -0.492 5 10 DBBE Cc1nnc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])n1C 1118381477 PBOAPRUBZQCUSS-UHFFFAOYSA-N 312.311 -0.095 5 10 DBBE NC(=O)C[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1445364729 CASAPVHHIGAJJA-SNVBAGLBSA-N 322.321 -0.130 5 10 DBBE CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] 1465321619 RVSFCTDJSUNNLE-SSDOTTSWSA-N 320.352 -0.122 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 1518056638 VMVDRUIXEUIGNQ-KOLCDFICSA-N 311.342 -0.065 5 10 DBBE CN1C(=O)[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@@H]2C1=O 1559258991 DBWGQHJPRBFXNU-DTORHVGOSA-N 319.277 -0.860 5 10 DBBE CN1C(=O)CN=C1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 1585989823 DMELKOALGMBFLX-UHFFFAOYSA-N 320.261 -0.270 5 10 DBBE NC(=O)C1CCN(C(=O)C2CCN(CC[N+](=O)[O-])CC2)CC1 1615172492 MQABHMXOUMSRGM-UHFFFAOYSA-N 312.370 -0.301 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1CCN(c2nc[nH]n2)CC1 1654069370 WBNKHNAIEYRKRA-UHFFFAOYSA-N 319.325 -0.303 5 10 DBBE NC(=O)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1)C1CC1 2152796231 SLLPIWOBTFMJFX-ZETCQYMHSA-N 320.352 -0.219 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCc2nnn[nH]2)ccc1O 44930691 UYYFZJLXQCGCMV-UHFFFAOYSA-N 300.256 -0.708 5 10 DBBE O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)CN1CCOCC1 128074852 DUXDHPKWWXVJAR-AWEZNQCLSA-N 323.349 -0.053 5 10 DBBE COC(=O)c1cc(C)nc(N2CCO[C@H](C(N)=O)C2)c1[N+](=O)[O-] 283431890 BNDSWHOICRDWQW-VIFPVBQESA-N 324.293 -0.225 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC(N3CC[C@@H](O)C3)C2)n1 593855253 IYCPTNUAZPANKO-SNVBAGLBSA-N 309.326 -0.298 5 10 DBBE COCC1(O)CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594779956 ZDUSDYHGMDAXHR-UHFFFAOYSA-N 303.296 -0.628 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](Cc2nn[nH]n2)C1 1177867073 WGKBTRYCSKRQLR-SECBINFHSA-N 320.313 -0.214 5 10 DBBE O=C(CCc1cn[nH]c1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1285542796 DRMLTLZYQMCJPT-JZIZGNRHSA-N 321.337 -0.204 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(O)nn1 1357156359 WYEHFLQIUIGVRX-PSASIEDQSA-N 323.309 -0.622 5 10 DBBE CN(C)C(=O)COC1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 1445286110 UJXDUZJCXGAPAA-UHFFFAOYSA-N 323.309 -0.499 5 10 DBBE CN(Cc1nnc2n1CCNC2=O)c1ccncc1[N+](=O)[O-] 1458593991 JIEJKSRNCDUENT-UHFFFAOYSA-N 303.282 -0.039 5 10 DBBE CNC(=O)NC(=O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O 1473028427 AOVJKMXAMJVMRK-UHFFFAOYSA-N 311.279 -0.178 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)Cc1cn(C)nn1 1558187559 IGPNXVWWBOIWAX-MRVPVSSYSA-N 307.314 -0.024 5 10 DBBE O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1C[C@H](O)[C@@H](CO)C1 1570214637 QXIVUEXWKPXFBB-KCJUWKMLSA-N 324.289 -0.209 5 10 DBBE CCN(CCNC(=O)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581048676 OVOJVORUNUJHQS-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE CONC(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1633912732 FEZNMPWYIOCQKM-UHFFFAOYSA-N 311.298 -0.293 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@](O)(CN(C)C)C1 1644123670 LJVWNCBYMVESMJ-ZDUSSCGKSA-N 311.342 -0.375 5 10 DBBE COCC(C)(C)C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1721403774 JSKNBONFUGASAZ-GHMZBOCLSA-N 313.354 -0.101 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nc(C2CC2)n[nH]1 1731769538 HEWWRHADDVFWNV-NXEZZACHSA-N 308.342 -0.105 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1(CO)CNC1 1918434566 ZPTRDOROLKNLRJ-UHFFFAOYSA-N 301.324 -0.652 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NN2CCNCC2)ccc1F 2145593866 TUBCLOWXTBNRFB-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N2CCNNCC2)c1 2152175932 RCZWCWURLNUNIA-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCO2)c1 2189564357 RGHOUAMGOYLSAR-MRVPVSSYSA-N 302.312 -0.052 5 10 DBBE O=C(O)[C@@H](NC(=O)N1CC([N+](=O)[O-])C1)[C@H](O)C(F)(F)F 2280030671 DBUDVJQPXITJMD-WHFBIAKZSA-N 301.177 -0.967 5 10 DBBE NNc1cc(NCCS(=O)(=O)CCO)ccc1[N+](=O)[O-] 2361003936 BANKBQXGGQQUFL-UHFFFAOYSA-N 304.328 -0.301 5 10 DBBE NS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cn1C1CC1 40378290 NUJCXCWBAUDWOH-UHFFFAOYSA-N 302.312 -0.251 5 10 DBBE NC(=O)CN(CC(N)=O)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 61808631 RDSBMQZJWCPFAO-UHFFFAOYSA-N 314.685 -0.339 5 10 DBBE Cn1ncnc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 127397880 WYTOBGPBTHNVOU-UHFFFAOYSA-N 313.299 -0.190 5 10 DBBE C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C1(S(C)(=O)=O)CC1 342686457 YCPMDQXJQXLAJL-QMMMGPOBSA-N 316.339 -0.127 5 10 DBBE C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593590737 IESZYJOQBWDQTP-LLVKDONJSA-N 314.323 -0.124 5 10 DBBE COC[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)OC 594773788 UMNWWNMNDQIKIL-ZETCQYMHSA-N 319.295 -0.544 5 10 DBBE NCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCOCC1 599102322 KATFGVNRCKNGCF-UHFFFAOYSA-N 316.339 -0.224 5 10 DBBE COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)OC 610769424 RLDAFBSCSCNOOD-SECBINFHSA-N 311.250 -0.176 5 10 DBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OCCO 796273821 GJPDAVAVNAPHBX-UHFFFAOYSA-N 304.280 -0.591 5 10 DBBE O=C1NC(=O)[C@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 1307785027 HBLLHGXIFWZQQW-TUAOUCFPSA-N 305.290 -0.167 5 10 DBBE CCC[C@H](OC)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331715737 LPLOHLWWUGFKPA-QMMMGPOBSA-N 320.327 -0.052 5 10 DBBE O=C(CCc1cnc[nH]1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1358661126 DRBHRWOAHFFKAH-GHMZBOCLSA-N 321.337 -0.228 5 10 DBBE CCOC(=O)C[C@H](CO)NC(=O)Cn1c([N+](=O)[O-])cnc1C 1625387925 RMHUAFMECGUMLM-SECBINFHSA-N 314.298 -0.470 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(Cc2nn[nH]n2)CC1 1637152698 STMIGXWHBFLPKL-UHFFFAOYSA-N 320.313 -0.064 5 10 DBBE Cn1cc(CN2CCC(CS(N)(=O)=O)CC2)c([N+](=O)[O-])n1 1645162709 ABESQGWVCNCJBN-UHFFFAOYSA-N 317.371 -0.171 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2(CO)CNC2)cc1F 1918429026 HZLDVOHSULXYFW-UHFFFAOYSA-N 305.287 -0.654 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(CO)CNC1 1918434266 TXDAUNNWIXITOQ-UHFFFAOYSA-N 301.324 -0.484 5 10 DBBE NC[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 2126187106 CNJIWLWGUMOQAN-LURJTMIESA-N 309.731 -0.154 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2174116282 MKINQDVLEFJFJV-POYBYMJQSA-N 308.287 -0.246 5 10 DBBE O=Cc1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1 2177849891 PDOJFGHIXOWOKK-GXSJLCMTSA-N 300.292 -0.023 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1ccnc(O)c1[N+](=O)[O-] 2192677602 OILCRXLJAHHANP-HTQZYQBOSA-N 302.312 -0.508 5 10 DBBE O=C(O)[C@@H](Nc1ncccc1[N+](=O)[O-])C1CS(=O)(=O)C1 2197526009 QKXITMIGKIHQFG-QMMMGPOBSA-N 301.280 -0.101 5 10 DBBE CS(=O)(=O)CC[C@H](N)C(=O)Nc1ncccc1[N+](=O)[O-] 2202433208 DKQJFEPGOVKQTO-ZETCQYMHSA-N 302.312 -0.310 5 10 DBBE CO[C@H](CN)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2365474035 JOROGXMVEHLKLE-SSDOTTSWSA-N 307.303 -0.014 5 10 DBBE CO[C@@H](CN)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2365474036 JOROGXMVEHLKLE-ZETCQYMHSA-N 307.303 -0.014 5 10 DBBE O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1c[nH]c(=O)[nH]c1=O 267316 VLRJULOEJLGVGG-UHFFFAOYSA-N 302.202 -0.228 5 10 DBBE NNc1cc(S(=O)(=O)Nc2nnns2)ccc1[N+](=O)[O-] 127646044 MSDPHAFRSMNBGK-UHFFFAOYSA-N 317.312 -0.072 5 10 DBBE Cn1cc([C@@H]2CNCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])cn1 181437900 ALQDWOVHZPDSAP-VIFPVBQESA-N 305.298 -0.162 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1COC[C@@H]1O 323131208 RMARJWVMLCYNLH-SCZZXKLOSA-N 302.308 -0.059 5 10 DBBE O=C(NCCNC(=S)NCCO)c1cccc([N+](=O)[O-])c1 586405065 MHOHPNNLRDNBIS-UHFFFAOYSA-N 312.351 -0.219 5 10 DBBE CN1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599207524 PLCRJSNSCIWIGA-UHFFFAOYSA-N 303.344 -0.299 5 10 DBBE NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 599432195 LWJICFXXFWLRCQ-ZETCQYMHSA-N 300.296 -0.372 5 10 DBBE CNc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)cc1[N+](=O)[O-] 600243019 XDHQPQBQCAQDTK-KCJUWKMLSA-N 308.294 -0.303 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CN2CCCN1CC2 619874035 WWWBEMZZXZJOTJ-LLVKDONJSA-N 308.342 -0.703 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1nccc(N)c1[N+](=O)[O-] 697049721 BQWFZWZZWABBKN-JGVFFNPUSA-N 302.312 -0.204 5 10 DBBE COC(C)(C)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1118913112 JFRWUEGVKDHCQL-UHFFFAOYSA-N 306.300 -0.442 5 10 DBBE CC(C)(C)[C@@H]1CNC(=O)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 1463041769 WMXDZRFWQIILEA-QMMMGPOBSA-N 310.314 -0.441 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1n[nH]cc1C 1496739809 OOMQYORWXSFSKE-NXEZZACHSA-N 309.326 -0.038 5 10 DBBE CC(=O)OC[C@H](CO)NC(=O)Cn1c([N+](=O)[O-])cnc1C 1638464878 MBGXIFBBEKSNBY-VIFPVBQESA-N 300.271 -0.860 5 10 DBBE Cc1cnn(CCC(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1737739322 OZOHSZMKRSSNEK-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE O=C(NCCCNC(=O)C1(F)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1742859239 PGAISHRMNZLTNA-NXEZZACHSA-N 317.317 -0.207 5 10 DBBE C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1(O)CNC1 1918666626 GJVHGGPUSNBZKI-QMMMGPOBSA-N 301.324 -0.404 5 10 DBBE Nc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)cc1[N+](=O)[O-] 2149208239 SSPIINSGLQDWFA-XVKPBYJWSA-N 305.287 -0.120 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](F)C2)cn1 2177141771 YWFIHGSPQGHTHT-CBAPKCEASA-N 305.287 -0.059 5 10 DBBE C[C@](N)(CO)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2181129903 RDEUIVOQAMLZHB-LLVKDONJSA-N 303.340 -0.276 5 10 DBBE NCCc1nccn1-c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 52304440 ZOZFAERGEXRLHF-UHFFFAOYSA-N 311.323 -0.071 5 10 DBBE CCCn1cc([N+](=O)[O-])c(=O)n(C[C@@](C)(O)C(=O)O)c1=O 80208967 SSOZQUVWLNNOHY-LLVKDONJSA-N 301.255 -0.836 5 10 DBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCCNC1=O 348177966 YDAVCFKEFUEXKZ-NSHDSACASA-N 320.305 -0.281 5 10 DBBE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 592934865 FLKJJKUTUWLBLW-SFYZADRCSA-N 312.282 -0.676 5 10 DBBE C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594766962 ZENBVFMRGWINBA-ZETCQYMHSA-N 323.352 -0.299 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CNC[C@H]1O 699919847 WXCSPMVFAFMKNT-PSASIEDQSA-N 301.324 -0.486 5 10 DBBE CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 859415965 WDFHGUCZCVBBCZ-SSDOTTSWSA-N 318.311 -0.324 5 10 DBBE CCn1nnc(C)c1CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1258291999 NHMQSKLGQFNQLL-VXGBXAGGSA-N 322.369 -0.084 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cncn1C 1581082691 SAGKVZKXHVUWGA-NXEZZACHSA-N 309.326 -0.336 5 10 DBBE CN1C[C@@H](C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)NC1=O 1632080951 QDFKWUORQKGILK-SMDDNHRTSA-N 322.321 -0.058 5 10 DBBE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC([N+](=O)[O-])C1 1890319312 XDCUTBYGRPTYEO-VIFPVBQESA-N 303.315 -0.250 5 10 DBBE CN=c1[nH]c(NC2CCS(=O)(=O)CC2)ncc1[N+](=O)[O-] 2157681913 KAFKDDVZTSWMRJ-UHFFFAOYSA-N 301.328 -0.163 5 10 DBBE NCCC(CCN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2205686836 CXADJUQLIRKIRG-UHFFFAOYSA-N 302.356 -0.061 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2CNCCNC2)cc1 2287597990 BRXWHIFDVBSJFI-UHFFFAOYSA-N 300.340 -0.566 5 10 DBBE CS(=O)(=O)CC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 52943213 MMFYWQVLOBXYHO-NSHDSACASA-N 315.351 -0.027 5 10 DBBE O=C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCN1 70302384 WNUVPZPIQCIKHA-UHFFFAOYSA-N 300.296 -0.500 5 10 DBBE Cc1nn(C[C@H](O)CNC[C@](C)(O)CO)c(C)c1[N+](=O)[O-] 90288487 WXYOFWCDNMKOEA-PWSUYJOCSA-N 302.331 -0.898 5 10 DBBE C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1 173828980 CUTCOEIDJSPATN-WCQYABFASA-N 323.353 -0.030 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CCO)[C@@H](C)C2)n1 191897540 VNRNAEFHWVFJDR-JTQLQIEISA-N 311.342 -0.050 5 10 DBBE O=C(NC(CO)(CO)CO)c1cc(Cl)ccc1[N+](=O)[O-] 236490691 QBUSTOOEPVZRAF-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2COC[C@H]2O)cc1 323129689 QIEHHEUUSGWEJV-WDEREUQCSA-N 302.308 -0.226 5 10 DBBE O=C1CC[C@@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])N1 598634567 NXADPVJMBINJEU-VIFPVBQESA-N 322.325 -0.088 5 10 DBBE NS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 609623644 QQVBBROXYNAQJF-SSDOTTSWSA-N 302.312 -0.184 5 10 DBBE CN(C(=O)CN1C[C@@H](O)C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 610614644 IJKDZLMOZLGKAL-BETUJISGSA-N 309.322 -0.015 5 10 DBBE O=C1OC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@@H]12 863762292 NFVKQPIKHYWDRL-PSASIEDQSA-N 307.262 -0.612 5 10 DBBE COC(=O)[C@]1(OC)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 1261792145 NLJNLTBPFLYQAZ-ZDUSSCGKSA-N 324.293 -0.143 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)C[C@H]2CCOC2)n1 1261816603 PKGHGIVLVYJBEA-SSDOTTSWSA-N 318.311 -0.440 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)O[C@@H]1CCCS(=O)(=O)C1 1357567589 FUPCKNVOXMUUHP-SSDOTTSWSA-N 304.284 -0.693 5 10 DBBE O=C(N[C@H]1C[C@H](CNCCN2CCCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1506883108 DMRIAMLJYGIFBJ-FDYHWXHSSA-N 324.381 -0.242 5 10 DBBE Cc1nc(CC(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 1577025108 UVJBIBOIKCPOLX-NXEZZACHSA-N 324.341 -0.714 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cc(=O)c(O)cn1C 1643949868 ZCXZVOHRYKPFDT-UHFFFAOYSA-N 321.293 -0.180 5 10 DBBE CCn1ccnc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1759887629 PVQPKLLJFKOPTF-NXEZZACHSA-N 321.337 -0.053 5 10 DBBE CCN(c1ncc([N+](=O)[O-])c(=N)[nH]1)[C@@H]1CCS(=O)(=O)C1 2157641649 YBAVTMUHKZQLDG-SSDOTTSWSA-N 301.328 -0.189 5 10 DBBE COc1nc(=NC[C@H]2CCCS2(=O)=O)[nH]cc1[N+](=O)[O-] 2157676792 PZZRGLCOKOOTJW-SSDOTTSWSA-N 302.312 -0.196 5 10 DBBE CN=c1[nH]c(N=[S@@](C)(=O)[C@H]2CCNC2)ncc1[N+](=O)[O-] 2173820846 QOFBMYFEQSTICB-JKNYTWMOSA-N 300.344 -0.060 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNCC[C@H]2O)cc1 2183271673 OMBIGOWCUZVZOR-GHMZBOCLSA-N 301.324 -0.404 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CNCC[C@H]1O 2183272906 WSUBAQTUYZGGNB-WCBMZHEXSA-N 301.324 -0.404 5 10 DBBE O=C1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCN1 2186332735 PFQTZJFDBLOPTD-ZETCQYMHSA-N 300.296 -0.453 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC([C@H](O)CO)C1 2362003378 WFONFDSSEFULGJ-SNVBAGLBSA-N 302.308 -0.432 5 10 DBBE O=C(NC(CO)(CO)CO)c1cccc(Cl)c1[N+](=O)[O-] 236492318 BZADIWDFGULAPW-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE O=C1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1 532550371 CETYMECEJIPWIZ-SSDOTTSWSA-N 321.245 -0.142 5 10 DBBE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] 592870846 GMMCROSNKVDZRC-VIFPVBQESA-N 324.341 -0.480 5 10 DBBE CC[C@]1(O)CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599280332 GXWAHCLUGYHQIK-JTQLQIEISA-N 304.328 -0.136 5 10 DBBE Cn1cc(C[C@H](CO)NC(=O)Cn2ccc([N+](=O)[O-])n2)cn1 1142581797 OPUFYSORHHWCAF-SNVBAGLBSA-N 308.298 -0.755 5 10 DBBE O=C1CNC(=O)N1CCn1nnc(-c2ccccc2[N+](=O)[O-])n1 1307405366 ZLQFJPOFKASAJX-UHFFFAOYSA-N 317.265 -0.200 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC(O)(CO)CC1 1350020316 YUBXFIKFMZOZLX-UHFFFAOYSA-N 317.323 -0.502 5 10 DBBE O=C(c1ccc([N+](=O)[O-])o1)N1CCN2[C@H](CNS2(=O)=O)C1 1456165313 SBQOOVXDMKQHJO-SSDOTTSWSA-N 316.295 -0.838 5 10 DBBE CN1C(=O)NC2(CCN(c3nn(C)cc3[N+](=O)[O-])CC2)C1=O 1472750154 OPFFCALQKOWBCX-UHFFFAOYSA-N 308.298 -0.151 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cn(CC)nn1 1496739704 NNLAYCBONXCXDQ-MWLCHTKSSA-N 324.341 -0.459 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=COCCO1 1583025762 NRCQKFBZDOZNQY-UFLMBTITSA-N 311.294 -0.672 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CC(C2CS(=O)(=O)C2)C1 1628114299 FWQVIOIENPKJGJ-UHFFFAOYSA-N 314.323 -0.706 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)n1 1639934075 GORJKHRGTPSYOD-GFCCVEGCSA-N 322.281 -0.858 5 10 DBBE Cc1nccc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1747213438 DUCOZABAXIBHLX-RXUHEVMZSA-N 319.321 -0.148 5 10 DBBE O=C(CNC(=O)[C@@H]1CN2CCN1CC2)c1cccc([N+](=O)[O-])c1 1850215558 KBCYCYOYUIADHE-ZDUSSCGKSA-N 318.333 -0.107 5 10 DBBE NCC1CN(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 2161188172 DEZLWJYSOMGECD-UHFFFAOYSA-N 302.312 -0.152 5 10 DBBE C[C@@](O)(CCO)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 2163682029 KHMOVULOXKQMFI-SNVBAGLBSA-N 305.312 -0.599 5 10 DBBE CN(C)S(=O)(=O)c1ncn(-c2c([N+](=O)[O-])cnn2C)n1 2179123533 CRBDJYJPSXQPNU-UHFFFAOYSA-N 301.288 -0.841 5 10 DBBE C[C@@H](O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@H](O)[C@@H]2CO)s1 2201009545 XNXVOXRRFNHDAL-RKBOWSCOSA-N 304.324 -0.388 5 10 DBBE O=C(Nc1cc([N+](=O)[O-])ccn1)[C@H]1CNCCS1(=O)=O 2202447302 RMPZKTIGURTADA-MRVPVSSYSA-N 300.296 -0.685 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N[C@H]1C[C@@H](CO)[C@H](O)[C@@H]1O 2355681038 PLGZLUBPZNTGAJ-BKMCOVHNSA-N 304.690 -0.447 5 10 DBBE CC(=O)N[C@@H](Cn1nc([N+](=O)[O-])nc1Br)C(=O)O 231801156 HGLUHLSHCSXLBB-BYPYZUCNSA-N 322.075 -0.462 5 10 DBBE CN1C[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1=O 525702271 IQKUBQFCCHLFAP-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE C[C@@H]1C(=O)N(C)CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 592903813 ZCMPAAYFWOALML-SECBINFHSA-N 320.305 -0.029 5 10 DBBE CNc1nccc(C(=O)NCC[C@]2(O)CCOC2)c1[N+](=O)[O-] 594375838 JAPJIKRXGYUFBP-ZDUSSCGKSA-N 310.310 0.303 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCOCCCO)n1 1331571340 LNIMXOXPYLPPFV-UHFFFAOYSA-N 308.316 -0.994 5 10 DBBE O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccnc(O)c1 1491665408 SYHKBGVIKHGRLJ-NXEZZACHSA-N 308.294 -0.312 5 10 DBBE NS(=O)(=O)C1CCN(c2ccnc(O)c2[N+](=O)[O-])CC1 1559096956 XQOAFTSYBKXPNT-UHFFFAOYSA-N 302.312 -0.047 5 10 DBBE CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCS(=O)(=O)C1 1623505144 VTCBDTNKHXKRCA-ZETCQYMHSA-N 302.312 -0.413 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncccn1 1687462434 QHVLVADPPFAHIQ-NXEZZACHSA-N 307.310 -0.280 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(C(N)=O)c1 1731768846 AJIXRJODIOXVQV-CHWSQXEVSA-N 320.349 -0.001 5 10 DBBE CC(C)n1nccc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1736741691 VNPYFMLZMIWGPA-MWLCHTKSSA-N 309.326 -0.025 5 10 DBBE CN(CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 1738770308 AHMIWMFSHXARCT-VXGBXAGGSA-N 324.381 -0.099 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](O)[C@H](F)C1 2149265850 FKGWBAGQZRQDST-MUWHJKNJSA-N 305.287 -0.120 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 2170580764 DQMFSKIEZBNOHS-ZETCQYMHSA-N 301.328 -0.300 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CS(=O)(=O)C[C@@H]1O 2177813042 NFVZUERWPPAZSC-YUMQZZPRSA-N 304.328 -0.311 5 10 DBBE C[P@]1(=O)C[C@@H](O)[C@H](N=c2cc([N+](=O)[O-])cc(NN)[nH]2)C1 2177956158 PZXLNUYHMXCFEB-SEJYDQARSA-N 301.243 -0.155 5 10 DBBE O=C(O)c1cc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc([N+](=O)[O-])c1 12653644 NTYQLZCIRRRKCF-CHWFTXMASA-N 314.250 -0.856 5 10 DBBE biogenic CS(=O)(=O)NCCNC(=O)c1cc(N)ccc1[N+](=O)[O-] 50703146 OLBZNHQVSJDMMZ-UHFFFAOYSA-N 302.312 -0.544 5 10 DBBE CCNc1ncc([N+](=O)[O-])c(NCCNS(C)(=O)=O)n1 233684898 VLPPCRNGHYVIDJ-UHFFFAOYSA-N 304.332 -0.222 5 10 DBBE CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(C(N)=O)C1 276481713 LQUSGJJVTICHNE-CQSZACIVSA-N 322.321 -0.277 5 10 DBBE CCO[C@H](CCN(C)C)CNC(=O)Cn1cnc([N+](=O)[O-])n1 440652909 YWKISWSGUSEBRD-SNVBAGLBSA-N 314.346 -0.341 5 10 DBBE COC[C@@H](O)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722277870 KRBMHOATYIMVSO-ZETCQYMHSA-N 305.312 -0.537 5 10 DBBE O=C(c1ccc([N+](=O)[O-])o1)N1CCS(=O)(=O)C[C@H]1CCO 1178395099 XJJXYTQHZWOYDG-MRVPVSSYSA-N 318.307 -0.191 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cnc2n1CCOC2 1180197050 RFDJDRSTDADGTI-UHFFFAOYSA-N 306.282 -0.015 5 10 DBBE O=C1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CN1 1261513481 WGXDPXCFCCUBJZ-SSDOTTSWSA-N 300.296 -0.596 5 10 DBBE CS(=O)(=O)CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1317552831 MRBRHTZSAUDYGP-GHMZBOCLSA-N 319.383 -0.723 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)O)[C@H]2CCCOC2)n1 1344557244 SVVLHJGSHVNFRV-CBAPKCEASA-N 312.282 -0.062 5 10 DBBE Cc1ncc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C 1357814557 OBRHGNWPEYNEKN-ANDSXOESSA-N 321.337 -0.204 5 10 DBBE CCOC(=O)c1ccnc(N2CC(CO)(CO)C2)c1[N+](=O)[O-] 1458605940 LHQOMQWKAMJNPL-UHFFFAOYSA-N 311.294 -0.043 5 10 DBBE CCN(CC)C(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1491017578 PONYTOYLXDKXRJ-WRWGMCAJSA-N 312.370 -0.243 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC(O)CC2)n1 1556641898 RPYTYDLUTOLHOE-UHFFFAOYSA-N 311.342 -0.002 5 10 DBBE COC(=O)[C@@]1(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CCOC1 1623708975 CSGPTYDFVHDZAW-GFCCVEGCSA-N 312.282 -0.362 5 10 DBBE COC(=O)C1(O)CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 1632866036 DMHQLKGDHKOLSJ-UHFFFAOYSA-N 312.282 -0.727 5 10 DBBE Cc1cccnc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1699912881 FJCQDQGHNDVTIT-DGCLKSJQSA-N 320.349 -0.282 5 10 DBBE O=C(NC/C=C/CNCCN1C(=O)CCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1716292382 JBXJFGGKIHPBFQ-COUIAZAYSA-N 324.337 -0.937 5 10 DBBE O=C(Cc1cnc[nH]1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759699607 SILPWDSBBPOOSB-COUIAZAYSA-N 307.310 -0.594 5 10 DBBE NS(=O)(=O)NCCCNC(=O)c1cc([N+](=O)[O-])cs1 2101332439 TVASVTGQHRIOSN-UHFFFAOYSA-N 308.341 -0.431 5 10 DBBE C[C@@H](N=c1cc([N+](=O)[O-])cc(NN)[nH]1)C1CS(=O)(=O)C1 2146101125 UDESTLSRLCSQDI-ZCFIWIBFSA-N 301.328 -0.458 5 10 DBBE NNc1ccc([N+](=O)[O-])c(CN2CCCNS2(=O)=O)c1 2150362106 IGZNGZFBZHSURS-UHFFFAOYSA-N 301.328 -0.080 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COC[C@@H]2O)cn1 2154108187 HIAGQBJVFMBQAD-APPZFPTMSA-N 303.296 -0.725 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1cc([N+](=O)[O-])cc(=N)[nH]1 2192664208 NSUXJDNKDGUGOB-SFYZADRCSA-N 301.328 -0.801 5 10 DBBE CC(C)n1ncc([N+](=O)[O-])c1O[C@H]1CS(=O)(=O)C[C@H]1N 2240592516 JWOAPYPCWZFMRZ-APPZFPTMSA-N 304.328 -0.125 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)c(F)c1 93091847 PQSWCLKOLDTWDE-DTORHVGOSA-N 306.271 -0.540 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(Oc2ccncc2)C1 609569158 JJXRDEHDWBATHG-UHFFFAOYSA-N 304.266 -0.129 5 10 DBBE NS(=O)(=O)[C@H]1CCCN(c2nc(F)ncc2[N+](=O)[O-])C1 707234877 QZCVPBBPWIZVBY-LURJTMIESA-N 305.291 -0.219 5 10 DBBE COCCN(CCC(=O)OC)C(=O)Cn1cnc([N+](=O)[O-])n1 733222603 KQAIABOTZJLBKS-UHFFFAOYSA-N 315.286 -0.776 5 10 DBBE CCn1cc(S(=O)(=O)NCc2cnn(C)n2)c([N+](=O)[O-])n1 805102835 PUXOQUNSWFAKHO-UHFFFAOYSA-N 315.315 -0.582 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@H](O)[C@@H](CO)C1 1261580744 YSDVYQIHMQPGAB-SCZZXKLOSA-N 317.323 -0.646 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCn2c(O)nnc2C1 1296785378 FAWWNDGARVFRRA-LLVKDONJSA-N 319.277 -0.032 5 10 DBBE NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 1304265842 VABKHPGZYOUMDP-ZETCQYMHSA-N 303.296 -0.062 5 10 DBBE Cc1cc(CC(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 1355527800 GABDBOUSKYWRLO-GHMZBOCLSA-N 310.310 -0.235 5 10 DBBE Cc1nc(N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)n[nH]1 1452716161 CUASTPHGIUNBEU-UHFFFAOYSA-N 320.313 -0.433 5 10 DBBE CNS(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 1472796231 IXNRJMUGNSDRGQ-UHFFFAOYSA-N 319.318 -0.285 5 10 DBBE COc1cc(C(=O)N2CC(=O)NCC23COC3)ccc1[N+](=O)[O-] 1534106856 JQUHYQBURRTNSK-UHFFFAOYSA-N 321.289 -0.056 5 10 DBBE Cc1nn(C)c(C(=O)N[C@@H](CO)c2cncn2C)c1[N+](=O)[O-] 1638919820 KJQYWLQQKWZOJP-QMMMGPOBSA-N 308.298 -0.166 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](CO)Cc1cnn(C)c1 1643146770 FWOONNLETMCGJP-LLVKDONJSA-N 322.325 -0.447 5 10 DBBE COC(=O)[C@@]1(O)CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 1644435466 WFCBAILZQPWKKF-SNVBAGLBSA-N 318.673 -0.279 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](CNS(N)(=O)=O)C1 1650711408 KAWZXYWSLLOTLO-MRVPVSSYSA-N 318.359 -0.662 5 10 DBBE O=C(CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CCC1 1670782185 XRCGLXLJWPNFFE-VXGBXAGGSA-N 324.381 -0.194 5 10 DBBE NC[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 2126187948 ROAVTIMLCSJSAB-ZCFIWIBFSA-N 309.731 -0.154 5 10 DBBE C[C@H](CS(=O)(=O)N(C)C)Nc1ncnc(N)c1[N+](=O)[O-] 2151146092 WAYDMGLBHDFBBK-ZCFIWIBFSA-N 304.332 -0.341 5 10 DBBE COC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CNC1 2157880481 AUFPSDRKYCLFDE-UHFFFAOYSA-N 301.324 -0.139 5 10 DBBE COC[C@@](O)(CO)CN=c1[nH]c(Cl)nc(C)c1[N+](=O)[O-] 2158610400 BPIWJIQCAQLCHN-JTQLQIEISA-N 306.706 -0.450 5 10 DBBE COc1ncnc(N[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1[N+](=O)[O-] 2174662359 QMSBKDHFSOUXLI-KVSKUHBBSA-N 300.296 -0.152 5 10 DBBE O=[N+]([O-])c1cnc(F)[nH]c1=NC[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12 2174706515 UJCPCZNZXPMHDR-POBXSPIYSA-N 302.287 -0.352 5 10 DBBE NOCCS(=O)(=O)N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 2234127656 YGLFFLKLHSFGGT-JTQLQIEISA-N 301.324 -0.128 5 10 DBBE CC(C)n1ncc([N+](=O)[O-])c1OC1(CN)CS(=O)(=O)C1 2283036928 YSRZMMMWPYHHFO-UHFFFAOYSA-N 304.328 -0.123 5 10 DBBE C[C@@H](O)c1cc([N+](=O)[O-])c(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)s1 2357910082 XNXVOXRRFNHDAL-FDDSLVSWSA-N 304.324 -0.388 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O 19232364 QMDRKHCGNYNHDR-MLUIRONXSA-N 322.270 -0.154 5 10 DBBE C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O 19232366 QMDRKHCGNYNHDR-ANLVUFKYSA-N 322.270 -0.154 5 10 DBBE NNc1ccc(S(=O)(=O)NCCC(N)=O)c([N+](=O)[O-])c1 37408961 HLYIPLYWDUDQJA-UHFFFAOYSA-N 303.300 -0.966 5 10 DBBE O=Cc1ccc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 50517491 AZCNXLJPGOTXCX-GXSJLCMTSA-N 301.276 -0.056 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)CCS(N)(=O)=O 158963688 AIHSILAWINYFDY-UHFFFAOYSA-N 308.337 -0.035 5 10 DBBE CN(C)C(=O)CCN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 270850379 JTTCXZQKLHQWEV-UHFFFAOYSA-N 324.341 -0.446 5 10 DBBE COC1CN(S(=O)(=O)c2ccc(NN)c([N+](=O)[O-])c2)C1 312228972 DDYKRHNJDSIHGN-UHFFFAOYSA-N 302.312 -0.100 5 10 DBBE C[C@@](CO)(NS(=O)(=O)c1cncc([N+](=O)[O-])c1)C(=O)O 313521508 PGNSUYIWYMHICB-VIFPVBQESA-N 305.268 -0.896 5 10 DBBE O=C1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1 532550372 CETYMECEJIPWIZ-ZETCQYMHSA-N 321.245 -0.142 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CNC[C@@H]1O 699963286 UIMLQSVUKWIRML-UWVGGRQHSA-N 301.324 -0.486 5 10 DBBE CCOC(=O)COCCNC(=O)Cn1c([N+](=O)[O-])cnc1C 1158410943 DCMNWIDKJBRCSZ-UHFFFAOYSA-N 314.298 -0.204 5 10 DBBE C[C@@H]1CS(=O)(=O)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1343832463 RPSDHJFXAHNKFY-SSDOTTSWSA-N 302.312 -0.413 5 10 DBBE CN(C)CCC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1350864930 NXVNGXMBNBYEPV-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE COc1nc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])co1 1355592058 NQSBJDSJGNOVKH-VXNVDRBHSA-N 312.282 -0.463 5 10 DBBE CCOC(=O)CC1(NC(=O)c2nn(C)cc2[N+](=O)[O-])COC1 1558679982 HDJIUFAIOXZCLN-UHFFFAOYSA-N 312.282 -0.220 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@@H]2C1=O 1597143848 SALYTRMPEKYWEL-AOOOYVTPSA-N 321.293 -0.745 5 10 DBBE O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)Cn1ccnn1 1626063573 JYONSVZEHNQEPE-GFCCVEGCSA-N 305.294 -0.094 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1N1CCN(CC(N)=O)C(=O)C1 1651136196 LIFDWZCQOLZCDY-UHFFFAOYSA-N 310.314 -0.746 5 10 DBBE CN(CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 1738751088 FVXHALAIVYDHSF-VXGBXAGGSA-N 324.381 -0.099 5 10 DBBE CC(C)CO[C@H](CC(=O)N[C@@H]1CONC1=O)C[N+](C)(C)C 1851745103 VMICFHQJDVZNDX-VXGBXAGGSA-O 302.395 -0.330 5 10 DBBE Cn1ncc([N+](=O)[O-])c1OCC[C@H]1CNCCS1(=O)=O 1916433717 GRLZYPYHQXWSBL-QMMMGPOBSA-N 304.328 -0.516 5 10 DBBE NC[C@H]1COCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2153168353 OKCOXCDFISHCSN-VIFPVBQESA-N 301.324 -0.057 5 10 DBBE C[C@@H]([C@@H](C)N=c1cc([N+](=O)[O-])cc(NN)[nH]1)S(C)(=O)=O 2170588275 KKPNMTQXTIXOKV-RQJHMYQMSA-N 303.344 -0.069 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CC2(C1)OC[C@H](O)[C@H]2O 2183726024 WNHZBUFNGVNGJC-IMTBSYHQSA-N 300.292 -0.397 5 10 DBBE O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1NC[C@H](O)[C@H]1O 2201151046 XCAPXJXOIHPWPA-IVZWLZJFSA-N 301.686 -0.120 5 10 DBBE COC[C@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 71271115 FWCRNSRYDLCVFD-SECBINFHSA-N 320.323 -0.111 5 10 DBBE CN(CC(=O)N1CCOCC1)C(=O)Cn1cnc([N+](=O)[O-])c1 350359371 GOSZJZRCDZFZSE-UHFFFAOYSA-N 311.298 -0.892 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)NCCCn1ccnn1 544104198 HFHHYTBQYQKEHG-UHFFFAOYSA-N 312.311 -0.050 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cccc(CO)n1 555526971 RTKLLODPJLRCTG-UHFFFAOYSA-N 318.289 -0.040 5 10 DBBE CNC(=O)[C@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594785221 KXYHNMPEZPEMJN-QMMMGPOBSA-N 314.323 -0.254 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)n1 599237780 FTJPSWOWHMKNLV-CBAPKCEASA-N 304.328 -0.090 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)CC(F)(F)F 1252296285 VRHFJOQTTWHAMF-UHFFFAOYSA-N 317.205 -0.805 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)CCO1 1305770339 ITCJZVVQVWSIKQ-UHFFFAOYSA-N 315.307 -0.021 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@](O)(C(F)F)C1 1556680696 JDFSBXFAVUWMIJ-GFCCVEGCSA-N 317.248 -0.015 5 10 DBBE CC(C)(O)[C@@H](O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1556915556 PGOSDYRFEAWJSK-NSHDSACASA-N 324.337 -0.230 5 10 DBBE NC(=O)C[C@@H]1COCCN1CCn1cc([N+](=O)[O-])ccc1=O 1559917740 ONFSEHKDVHOMAY-LLVKDONJSA-N 310.310 -0.667 5 10 DBBE CNC(=O)CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1586057086 RMWAGYRPKPPGGS-GHMZBOCLSA-N 320.305 -0.234 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)CN2CCCCC2)n1 1626899569 RRYYVRDCUHJOCZ-JTQLQIEISA-N 311.342 -0.095 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCC2(CC1)C[C@H](O)CNC2=O 1643262081 NSLSDFXCIBMJQM-VIFPVBQESA-N 309.326 -0.204 5 10 DBBE C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCN1S(C)(=O)=O 1654237382 WUTIOENVHVTVTO-SECBINFHSA-N 317.371 -0.206 5 10 DBBE CC(C)(F)C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1701240139 ROOKDGWMSBUBPB-RKDXNWHRSA-N 317.317 -0.521 5 10 DBBE CCn1ncc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1721848629 KXNNAMZYLDJQPF-IDFWJGBYSA-N 322.325 -0.635 5 10 DBBE N=c1[nH]cc([N+](=O)[O-])c(=NCC2CCS(=O)(=O)CC2)[nH]1 2146104607 YQTQLWHLZJFQJS-UHFFFAOYSA-N 301.328 -0.544 5 10 DBBE NC[C@H]1CC[S@@](=O)(=NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 2154593657 XIAGYZRZWSFKCS-SQFXPLBJSA-N 301.328 -0.236 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] 2157545874 KVHASUHNSKFWNB-UHFFFAOYSA-N 322.730 -0.229 5 10 DBBE CS(=O)(=O)[C@@H]1CCN(c2nc(NN)ccc2[N+](=O)[O-])C1 2179892524 HHDYAKBUPHYZIJ-SSDOTTSWSA-N 301.328 -0.101 5 10 DBBE C[C@@]1(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CCNC1=O 2288920205 BSWKMERLXJWGSP-SECBINFHSA-N 320.352 -0.205 5 10 DBBE C[P@@]1(=O)C[C@@H](O)[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 2355663761 VZCLKZYCCVEEKX-ZLVALASMSA-N 302.227 -0.357 5 10 DBBE CO[C@H]1CNC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 134137163 QVGDJVZCDBFMPS-BDAKNGLRSA-N 319.314 -0.001 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 158491171 AOCOBJMJWMRJOH-IBGZPJMESA-N 322.368 -0.463 5 10 DBBE CC1(O)CN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 170210076 VLIGMBRGTAIZHQ-UHFFFAOYSA-N 319.273 -0.216 5 10 DBBE Cc1nc(N)nc(NCCCNS(C)(=O)=O)c1[N+](=O)[O-] 230975222 RMZRCMOSBWZVNR-UHFFFAOYSA-N 304.332 -0.373 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N=c1nc[nH]n1-c1ccccc1 342478628 LNIAMGGMZUWDRO-UHFFFAOYSA-N 314.265 -0.172 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2CCCC2)n1 599209498 UCGNPBQTZXHESX-UHFFFAOYSA-N 303.344 -0.298 5 10 DBBE NS(=O)(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 707406372 BTOKNFHARCPMNF-UHFFFAOYSA-N 302.312 -0.184 5 10 DBBE C[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncnc(NN)c1[N+](=O)[O-] 712254310 NSXZBSREKNQFOF-PHDIDXHHSA-N 302.316 -0.485 5 10 DBBE CS(=O)(=O)C1CC(Nc2ncnc(NN)c2[N+](=O)[O-])C1 716079600 VHNHDLKBKLHGJL-UHFFFAOYSA-N 302.316 -0.342 5 10 DBBE O=[N+]([O-])c1c[nH]ccc1=NCC[C@@H]1CNCCS1(=O)=O 721808120 RLRIFSFYIMCDSI-SECBINFHSA-N 300.340 -0.400 5 10 DBBE N[C@H]1CCOC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 721961756 MFGAPYUDONXCSU-DTWKUNHWSA-N 301.324 -0.011 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 1116419594 BMWQNSODRQKJIE-ZJUUUORDSA-N 309.326 -0.079 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCS(=O)(=O)C1CC1 1129868720 ZWEVLOCIZVPLDT-UHFFFAOYSA-N 316.339 -0.207 5 10 DBBE CN(CCNC(=O)Cn1cccn1)Cc1c([N+](=O)[O-])ncn1C 1266255573 WDKFTAIXFAUROA-UHFFFAOYSA-N 321.341 -0.227 5 10 DBBE CCN(CCNC(=O)CCc1cn[nH]c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296308397 DXBGUGTULCMNSG-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE COC(=O)C[C@]1(NC(=O)c2nn(C)cc2[N+](=O)[O-])CCOC1 1320556543 BGCHMAJYIRDENY-GFCCVEGCSA-N 312.282 -0.220 5 10 DBBE NS(=O)(=O)NC1CN(C(=O)c2csc([N+](=O)[O-])c2)C1 1557778294 JOGGDGHLRPNESZ-UHFFFAOYSA-N 306.325 -0.726 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CNC(N)=O)n1 1626653590 ZERSLTFNMCMBHK-MRVPVSSYSA-N 310.314 -0.009 5 10 DBBE CN(C)[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1cncn1C 1630052812 NOPBCEFDRDGFTN-GFCCVEGCSA-N 321.341 -0.056 5 10 DBBE O=C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C2(CN1)COC2 1644310909 AAOPERPLTLWWDL-UHFFFAOYSA-N 322.321 -0.653 5 10 DBBE O=C1C[C@H](NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CO1 1662223002 SVBZYLCTNUHJOH-LURJTMIESA-N 302.264 -0.106 5 10 DBBE CN(C)CC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1688049555 UJEZPQPWNPKRKH-WRWGMCAJSA-N 324.381 -0.243 5 10 DBBE Cc1cc(C)n(CCC(=O)N2CCN=C2C[N+](=O)[O-])c(=O)n1 1851835473 PHRXXQHUIHJRTJ-UHFFFAOYSA-N 307.310 -0.232 5 10 DBBE Nc1ccc(S(=O)(=O)NCC(CO)CO)cc1[N+](=O)[O-] 2179799893 RZHANXSUUHGRCF-UHFFFAOYSA-N 305.312 -0.944 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC2([C@@H](O)CO)CC2)c1 2190118935 GPYYMFXKNLZFCI-JTQLQIEISA-N 302.308 -0.241 5 10 DBBE O=[N+]([O-])c1cncc(Cl)c1N1CC[C@](O)(CO)[C@@H](O)C1 2234107170 PPOIXYIYVSQNMM-ONGXEEELSA-N 303.702 -0.062 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1)C(N)=O 131300344 BRVQSTYGTZEVFJ-RXMQYKEDSA-N 303.300 -0.968 5 10 DBBE CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 346731675 JXNMHSNEIUPUFD-QMMMGPOBSA-N 324.293 -0.345 5 10 DBBE NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1=O 458043215 GYMNRJKDHMWDHK-UHFFFAOYSA-N 324.268 -0.496 5 10 DBBE CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593525940 OUGGRJLNDAMQGH-SSDOTTSWSA-N 302.312 -0.207 5 10 DBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCNC1=O 597859518 ZIXNPRLYYVBHDG-JTQLQIEISA-N 306.278 -0.671 5 10 DBBE CON(C)C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 817148837 QASIAPFINNUQPW-UHFFFAOYSA-N 309.325 -0.046 5 10 DBBE O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@@H]1[C@H]2COC[C@H]21 850879630 UGTQPRIQSRCFQN-MBTKJCJQSA-N 313.291 -0.313 5 10 DBBE Cn1cc(N2CC[C@@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)C2)cn1 1251914715 KLRQFAYAMXZOHK-SECBINFHSA-N 320.313 -0.685 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)NN1C(=O)[C@@H](C)N(C)C1=O 1301130912 APBNJZKRBMAMJX-SSDOTTSWSA-N 324.297 -0.196 5 10 DBBE CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN2CCO[C@H]1C2 1436423898 GTPUQRBALRWZTM-NEPJUHHUSA-N 309.326 -0.277 5 10 DBBE CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 1523041793 LBOHEEBICTVRQO-ONGXEEELSA-N 309.326 -0.127 5 10 DBBE C[S@](=N)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 1594849759 XRCVFASTZYCRCV-HXUWFJFHSA-N 302.316 -0.333 5 10 DBBE CN(C(=O)CN1C[C@@H](O)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 1618438610 MKMDGEWWNNKAHJ-GXFFZTMASA-N 309.322 -0.157 5 10 DBBE NC(=O)N1CC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 1628319852 KCQZLWVUVVQPIM-MWLCHTKSSA-N 308.294 -0.103 5 10 DBBE CN(CCNC(=O)c1ccc([N+](=O)[O-])cn1)CCOCCO 1650940480 ZTCMNDPSBCKZBY-UHFFFAOYSA-N 312.326 -0.340 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)c1ccc([N+](=O)[O-])c(N)c1 2152959884 DIRVOAWECHTCEH-LURJTMIESA-N 302.312 -0.416 5 10 DBBE N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2168108169 ARRRFXLIMVHAGH-VXNVDRBHSA-N 302.312 -0.928 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(=NC[C@@H]2CCS(=O)(=O)N2)[nH]1 2239227750 XOBZYCMFRSPOSK-QMMMGPOBSA-N 303.344 -0.102 5 10 DBBE COC(=O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CC1 2283652112 PZSXAFVMECEINF-UHFFFAOYSA-N 301.280 -0.026 5 10 DBBE COC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1csc([N+](=O)[O-])c1 2358556069 YDOOKJIHFGUTKE-OYNCUSHFSA-N 302.308 -0.151 5 10 DBBE O=C(O)CN(CC(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302147 GQRCSEIZNUQQDJ-UHFFFAOYSA-N 319.251 -0.850 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 136253197 GKNJGSQDTIDKNO-ZCFIWIBFSA-N 302.312 -0.281 5 10 DBBE CC(C)NS(=O)(=O)NCCN=c1cc[nH]cc1[N+](=O)[O-] 340869357 MSDMFDKKDNSWRZ-UHFFFAOYSA-N 303.344 -0.344 5 10 DBBE CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 358827993 RTUGUQHSBHOVHX-ZJUUUORDSA-N 324.341 -0.051 5 10 DBBE C[C@@H]1C[C@@H]1N1C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O 562992998 ZVXNGNYSORTJPO-URBCHYCLSA-N 323.353 -0.249 5 10 DBBE COC(=O)[C@@H](CCF)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599338537 CVNSLPHXTXULGW-ZCFIWIBFSA-N 324.290 -0.492 5 10 DBBE CNC(=O)NC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1 599539513 GJUIZLYVWRJEPY-LLVKDONJSA-N 312.330 -0.579 5 10 DBBE C[C@@H](ONS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O 708957238 PERWYTLXGXHIPJ-RXMQYKEDSA-N 306.252 -0.017 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccn(C)c(=O)c1 1265846268 ZRBWRYGCDGNWLD-CHWSQXEVSA-N 322.365 -0.011 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnnc(O)c1 1294069569 WXJHWNVONXFVMP-NXEZZACHSA-N 323.309 -0.574 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc(O)nc1 1299239059 PREIYPKXOCTUHY-NXEZZACHSA-N 320.305 -0.169 5 10 DBBE Cc1c(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nnn1C 1351662772 MEUWBTTXKKLELN-UHFFFAOYSA-N 301.288 -0.434 5 10 DBBE O=C(NCCN1CCNC1=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1558395976 DENAXXKEZXTMNR-NSHDSACASA-N 308.294 -0.230 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 1639934263 KUGWMQQFVPWRIQ-GFCCVEGCSA-N 322.281 -0.858 5 10 DBBE CN(CCNC(=O)c1n[nH]c2c1CCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721099791 JJKCBEDZADUUBS-MWLCHTKSSA-N 321.337 -0.248 5 10 DBBE C[C@@H]1CNC(=O)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 2181166928 FDAHOVSLCDHFKF-RXMQYKEDSA-N 320.352 -0.253 5 10 DBBE Cc1nc([N+](=O)[O-])c(N[C@H]2CNC[C@@H]2S(C)(=O)=O)n1C 2192681295 UGJHCZSUOUMIIB-YUMQZZPRSA-N 303.344 -0.566 5 10 DBBE Cn1c(C(=O)N2CC(CS(N)(=O)=O)C2)ccc1[N+](=O)[O-] 2194427272 PZMGTNOQJCDBQL-UHFFFAOYSA-N 302.312 -0.706 5 10 DBBE CCc1ncc([N+](=O)[O-])c(=NCCN(C)S(C)(=O)=O)[nH]1 2286658186 JAUWESDEIHOJTP-UHFFFAOYSA-N 303.344 -0.328 5 10 DBBE O=C(Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1NC[C@H](O)[C@@H]1O 2288521897 IKYLQVSQVVZNMU-RNJXMRFFSA-N 302.674 -0.725 5 10 DBBE CCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O 283496556 KAUGHMUCJWXLEM-QMMMGPOBSA-N 323.309 -0.062 5 10 DBBE COC(=O)[C@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CCSC1 340359678 DZAJBNOZLZSJOT-JTQLQIEISA-N 315.311 -0.649 5 10 DBBE O=C1C[C@@]2(CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)CN1 434759595 WUEWBGCYZFQXSD-AWEZNQCLSA-N 306.322 -0.032 5 10 DBBE C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594765199 UJVWFTXSJLKBMF-RKDXNWHRSA-N 317.323 -0.240 5 10 DBBE CN1CCOC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 599454431 NJQSZVCDEFJNBT-VIFPVBQESA-N 316.339 -0.401 5 10 DBBE CS(=O)(=O)N1CC(CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 614548021 VJWCRMLWBIHFLQ-UHFFFAOYSA-N 314.323 -0.389 5 10 DBBE CS(=O)(=O)CCOCCNC(=O)c1ccc([N+](=O)[O-])cn1 762184709 IXBYIBDIBMFTLE-UHFFFAOYSA-N 317.323 -0.219 5 10 DBBE O=C(CC1OCCO1)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 797110099 FWSASQJILPUONO-UHFFFAOYSA-N 317.279 -0.442 5 10 DBBE COC(=O)CCN1CCC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O 849807277 OGVIOZWFDXADMF-BBBLOLIVSA-N 314.294 -0.251 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CO)CC(F)F)n1 1328828291 NFMOIEIDKFPJPT-YFKPBYRVSA-N 314.270 -0.377 5 10 DBBE CCn1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 1358689277 LCCOLKQAMMQFJG-PSASIEDQSA-N 322.325 -0.658 5 10 DBBE O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc[n+]([O-])cc1 1491575379 KAQADGWMXANKTA-GHMZBOCLSA-N 308.294 -0.779 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](O)[C@@H](CO)C1 1612468440 HMHLELQEBVALHF-KCJUWKMLSA-N 316.335 -0.212 5 10 DBBE CN1CC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)C1 2145487747 DJFLQSBZRPOAGK-UHFFFAOYSA-N 321.384 -0.124 5 10 DBBE CN1CCCC[C@@H]1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156821896 WFWQPJHRTGJTDZ-MRVPVSSYSA-N 303.344 -0.077 5 10 DBBE C[C@H](Nc1ncnc(NN)c1[N+](=O)[O-])[C@H](C)S(C)(=O)=O 2170587601 DAAFNWFJLJALLP-WDSKDSINSA-N 304.332 -0.096 5 10 DBBE CN(C)S(=O)(=O)c1nccn1-c1c([N+](=O)[O-])cnn1C 2179127794 UOBOYBHLYRGPNE-UHFFFAOYSA-N 300.300 -0.236 5 10 DBBE N[C@H](CS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)O 2195334597 WCTRWQZXWOZRMW-SECBINFHSA-N 302.308 -0.036 5 10 DBBE O=[N+]([O-])c1c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)nc2sccn12 2200877124 TVTLZKAGZHKGLM-ACZMJKKPSA-N 300.296 -0.793 5 10 DBBE COCCS(=O)(=O)CCN=c1ccc([N+](=O)[O-])c(N)[nH]1 2204669100 GAMBRKUZZPRJPL-UHFFFAOYSA-N 304.328 -0.533 5 10 DBBE O=[N+]([O-])c1c(Cl)nc[nH]c1=NCC1(O)CS(=O)(=O)C1 2267902827 XLRPEAMBTXNUTI-UHFFFAOYSA-N 308.703 -0.969 5 10 DBBE NNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N1CC[C@@H](O)C1 61712754 ZWBBEOVQHQJGKV-SSDOTTSWSA-N 320.302 -0.225 5 10 DBBE COc1ccc(S(=O)(=O)N2CCOC[C@@H]2N)cc1[N+](=O)[O-] 88378493 SFXZPTHAFBFAPK-LLVKDONJSA-N 317.323 -0.091 5 10 DBBE CNC(=O)[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 281419936 ZYDBSYKSFZBLKY-SNVBAGLBSA-N 309.278 -0.113 5 10 DBBE CN1C[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 590446965 XPUOUPBYCAYPFI-JQWIXIFHSA-N 306.322 -0.081 5 10 DBBE CCN1CC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 599302597 HYOPQQOFBABYJQ-ZETCQYMHSA-N 317.327 -0.773 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(c2nccnn2)CC1 600190134 STPZZKIAPLNQQM-UHFFFAOYSA-N 304.270 -0.535 5 10 DBBE CN(C[C@H]1C[C@@H](O)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1118830966 OHLDAPBKHYQUJZ-OCAPTIKFSA-N 304.328 -0.280 5 10 DBBE COc1c[nH]c(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1=O 1137377344 IYFMKYADZNCRCN-UHFFFAOYSA-N 307.266 -0.082 5 10 DBBE C[C@@H]1NC(=O)[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1C 1144385258 UBCWYAUKCAHHEA-GUBZILKMSA-N 322.321 -0.120 5 10 DBBE CS(=O)(=O)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 1148725526 SPCJRIUARFFFGM-QMMMGPOBSA-N 314.323 -0.288 5 10 DBBE NC(=O)N[C@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 1295898723 CQDLQXSOLPCREA-GXSJLCMTSA-N 308.294 -0.103 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CO)(CO)C2)nc1 1330547512 PGUXDOWSCDIHNM-UHFFFAOYSA-N 317.323 -0.645 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CC(=O)N(CC2CC2)C1 1438850602 APMGFWMFOSMETF-JTQLQIEISA-N 307.310 -0.082 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C[C@@H]2C1=O 1471200229 BVEADXMAMJIPEM-OCAPTIKFSA-N 319.277 -0.741 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC1CCS(=O)(=O)CC1 1544052014 OMQBJEUJSGKJBZ-UHFFFAOYSA-N 302.312 -0.365 5 10 DBBE CC(C)(C)NC(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1665279474 SDGOSFDJDPRSQS-GHMZBOCLSA-N 312.370 -0.386 5 10 DBBE O=C(CC1(O)CCC1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1722069198 WADBLZZWAUMCJN-NXEZZACHSA-N 311.338 -0.278 5 10 DBBE CCCCNC(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1732125268 AAOHVFIRQRBBSH-VXGBXAGGSA-N 312.370 -0.384 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CCOC[C@@H]1[C@H](O)CO 2146323604 NCHLSVBPTIEINW-HTQZYQBOSA-N 304.690 -0.403 5 10 DBBE N[C@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2149989105 SNJFQFGNHYSLCK-QWRGUYRKSA-N 301.324 -0.260 5 10 DBBE CNS(=O)(=O)CCN(C)c1nc(NN)ccc1[N+](=O)[O-] 2151038543 IGXRBMUGOCJBEE-UHFFFAOYSA-N 304.332 -0.739 5 10 DBBE NC[C@H]1CC[S@@](=O)(=NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 2154590703 LLBJMCRSRUSXHD-SQFXPLBJSA-N 301.328 -0.236 5 10 DBBE CS(=O)(=O)NC1CN(c2cc([N+](=O)[O-])ccc2CO)C1 2176908390 JTGNFNVNTXHGTJ-UHFFFAOYSA-N 301.324 -0.175 5 10 DBBE Cc1cc(=N[C@H]2COC[C@@H]2S(C)(=O)=O)c([N+](=O)[O-])c[nH]1 2207466343 QVUKELYTEOWAFP-ONGXEEELSA-N 301.324 -0.056 5 10 DBBE CNC(=O)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 532134253 QLHCHEZDDUSSOL-UHFFFAOYSA-N 321.337 -0.070 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCOCC2)nc1 593522509 ISXTWHAFZLTQKZ-UHFFFAOYSA-N 316.339 -0.400 5 10 DBBE CN1CC[C@@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599333238 ZITFWIKLUWWTQQ-QMMMGPOBSA-N 303.344 -0.442 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)nc1 599391559 KRFVFHUWGHLHSF-NXEZZACHSA-N 317.323 -0.192 5 10 DBBE Cn1c(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cnc1O 1285952470 MKWLRKYIRRTWOI-HTQZYQBOSA-N 323.309 -0.831 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1cccn1 1581373220 ZGRSAIXKOJFKAN-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE CN(C)CCOCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1631921965 PZTHZNXDBFYSJH-UHFFFAOYSA-N 312.326 -0.549 5 10 DBBE O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](O)[C@@H](O)C1 1655343998 NOVFYDOZWQENLT-RTXFEEFZSA-N 312.322 -0.238 5 10 DBBE O=C(NC/C=C/CNCCN1CCCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1715819967 WRQBUHMGKDLSFF-NUYITTKVSA-N 310.354 -0.464 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNCc1csnn1 1733615985 PGRGJCGCCSFKEG-NXEZZACHSA-N 315.355 -0.886 5 10 DBBE O=C(Cc1cnc[nH]1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1738751585 ZUNFGQZVSKJZNU-NXEZZACHSA-N 307.310 -0.618 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2N)cc1[N+](=O)[O-] 2149986869 HWXHXVNWJOWKCQ-NXEZZACHSA-N 301.324 -0.092 5 10 DBBE NCC1(O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 2154725801 DHURYAANSDSFPV-UHFFFAOYSA-N 321.742 -0.058 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1[N+](=O)[O-] 2161357968 VGWOSQDPMGUPCA-OLQVQODUSA-N 323.352 -0.645 5 10 DBBE NC1CC(O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2163555202 JNUYHPQEEMEMGI-UHFFFAOYSA-N 302.312 -0.880 5 10 DBBE NC[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F 2182585935 JSKWLENOMYPZPU-RXMQYKEDSA-N 311.266 -0.529 5 10 DBBE C[C@@H](O)[C@H](N)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 80748815 QKNRRCYOZZUMBG-HZGVNTEJSA-N 307.303 -0.280 5 10 DBBE Cc1nn(C[C@H](O)CNCC[S@@](C)=O)c(C)c1[N+](=O)[O-] 158075410 CYECAFZMYRWEBL-SBKAZYGRSA-N 304.372 -0.263 5 10 DBBE CNC(=O)NC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1 600228743 DILITFKCWAXXMS-MRVPVSSYSA-N 312.282 -0.042 5 10 DBBE O=[N+]([O-])c1cnc(NCC[C@@H]2CNCCS2(=O)=O)nc1 721809589 YYIYCYREZRPOJE-SECBINFHSA-N 301.328 -0.427 5 10 DBBE COCC1(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1285546585 ZUWBMHLBMHBWEA-WUNPDAOYSA-N 311.338 -0.133 5 10 DBBE O=C(NC1CCN([C@H]2CCOC2=O)CC1)c1c[nH]nc1[N+](=O)[O-] 1446596352 OFKMDDNUCCBOQJ-JTQLQIEISA-N 323.309 -0.172 5 10 DBBE O=C(NC1CCN([C@@H]2CCOC2=O)CC1)c1n[nH]cc1[N+](=O)[O-] 1623682134 FZFLKVWDBBLCNS-SECBINFHSA-N 323.309 -0.172 5 10 DBBE COc1nc(N2CCS(=O)(=O)CCN2)ncc1[N+](=O)[O-] 2157674234 GMYWGAOFPQZFTF-UHFFFAOYSA-N 303.300 -0.867 5 10 DBBE C[C@@](N)(CO)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2181129356 NCDWYPGHPFMHAU-JTQLQIEISA-N 307.303 -0.278 5 10 DBBE O=[N+]([O-])c1c[nH]ccc1=NS(=O)(=O)N1CCC[C@@H](O)C1 2202440418 XPJPCLSZMNOOMD-MRVPVSSYSA-N 302.312 -0.475 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@@](C)(O)CO)cc1[N+](=O)[O-] 90287492 QRRCSUNYFLRODR-LLVKDONJSA-N 304.324 -0.075 5 10 DBBE CN(CCS(C)(=O)=O)C(=O)c1ccc(NN)c([N+](=O)[O-])c1 94302661 JEILMBHDUXPBRV-UHFFFAOYSA-N 316.339 -0.003 5 10 DBBE C[C@H](CC[S@](C)=O)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 128234719 VJAFQYRDDOCECQ-CYKBGDKZSA-N 304.372 -0.101 5 10 DBBE Cc1nn(C)c([C@]2(C(=O)O)CCS(=O)(=O)C2)c1[N+](=O)[O-] 312417704 JXKQVBSIDSRNHL-JTQLQIEISA-N 303.296 -0.222 5 10 DBBE CNS(=O)(=O)NCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 339265321 OXYQUQJFWVIJJS-QMMMGPOBSA-N 316.339 -0.174 5 10 DBBE NC(=O)C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCOCC1 359482614 QRWAWGRXFDAGPO-UHFFFAOYSA-N 320.309 0.332 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)n1 594387044 QRLGFCXJDOGWBY-VHSXEESVSA-N 309.326 -0.298 5 10 DBBE Nc1ncc([N+](=O)[O-])c(N2CCC[C@H](S(N)(=O)=O)C2)n1 707384711 KOIVBQAQOWWHBJ-LURJTMIESA-N 302.316 -0.776 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](S(N)(=O)=O)C1 1116383652 ZHICXZUFUYBQDS-VIFPVBQESA-N 314.323 -0.199 5 10 DBBE CO[C@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 1347178305 MATZPYQAEPAPFG-KGYLQXTDSA-N 314.342 -0.207 5 10 DBBE CNC(=O)N[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1611254066 UZCYWOCKQIJLOG-VIFPVBQESA-N 323.309 -0.714 5 10 DBBE Cc1nn(C)c(C(=O)NC[C@@H](O)c2ccnn2C)c1[N+](=O)[O-] 1611669347 UNZPVHFYPPFVAG-SECBINFHSA-N 308.298 -0.166 5 10 DBBE CN1C(=O)CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1=O 1635104476 QZLMWVOESMTUJB-UHFFFAOYSA-N 301.646 -0.588 5 10 DBBE C[C@@H](O)[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCO1 1642542176 UXTOTEIGWAASBG-BXKDBHETSA-N 311.294 -0.635 5 10 DBBE COC(=O)[C@@]1(O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 1654620322 RMVMUPDKMIVHIW-CYBMUJFWSA-N 311.294 -0.634 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC1(O)CCC1 1687462447 QZLMQQQANFXERW-GHMZBOCLSA-N 313.354 -0.079 5 10 DBBE O=CNCCCNC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1 1859186517 PDTMETFJOMOWBW-UHFFFAOYSA-N 322.321 -0.033 5 10 DBBE N[C@@H]1CS(=O)(=O)C[C@@H]1Oc1ncnc(Cl)c1[N+](=O)[O-] 2128225614 ODZFSMRVAWLQLG-UHNVWZDZSA-N 308.703 -0.459 5 10 DBBE NS(=O)(=O)C[C@H]1CCN(c2nc(F)ncc2[N+](=O)[O-])C1 2144391732 GOPVKXXJQHICLD-LURJTMIESA-N 305.291 -0.361 5 10 DBBE NS(=O)(=O)C[C@@H]1CCN(c2nc(F)ncc2[N+](=O)[O-])C1 2144391733 GOPVKXXJQHICLD-ZCFIWIBFSA-N 305.291 -0.361 5 10 DBBE C[C@]1(O)CON(S(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 2149820949 VUIJFFJHEYTSDR-SNVBAGLBSA-N 303.296 -0.136 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCS1(=O)=O 2150727706 FLRHHSSVBQOHRE-SSDOTTSWSA-N 300.296 -0.511 5 10 DBBE CS(=O)(=O)c1ccc(N(CCN)CCN)c([N+](=O)[O-])c1 2152187752 WBTZWNULDNGIOS-UHFFFAOYSA-N 302.356 -0.278 5 10 DBBE NC(=O)C1(NS(=O)(=O)c2cccc(N)c2[N+](=O)[O-])CC1 2159813310 UKHOISCMOWUAAS-UHFFFAOYSA-N 300.296 -0.527 5 10 DBBE O=Cc1cc(N[C@@H]2C[C@H](CO)[C@H](O)[C@@H]2O)c([N+](=O)[O-])s1 2177947430 FPOGBPHUBQGBMH-MCOJJJQWSA-N 302.308 -0.017 5 10 DBBE CCS(=O)(=O)[C@H]1CCN(c2nc(=N)[nH]cc2[N+](=O)[O-])C1 2179903461 XXMLWEWAEAZINX-ZETCQYMHSA-N 301.328 -0.189 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2CNC[C@H](F)C2)c1 2234653593 JLHDDHIZYRYCEX-HTQZYQBOSA-N 304.303 -0.032 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 136251258 ILVKOEHWYJFJLU-ZCFIWIBFSA-N 302.312 -0.281 5 10 DBBE CN(C)C(=O)COc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-] 215813844 GKYXAEGKFPGNRX-UHFFFAOYSA-N 321.286 -0.152 5 10 DBBE C[C@]1(C(N)=O)CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 248568119 FKKHZDKTNBZTCP-DGCLKSJQSA-N 311.342 -0.118 5 10 DBBE COC(=O)c1cnc(N2CC(=O)N(C)C(=O)C2)c([N+](=O)[O-])c1 281420969 IOYXAJNTLNSPGF-UHFFFAOYSA-N 308.250 -0.419 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N=c1nc[nH]n1C 353917991 YBAPGQFTWBKQRP-UHFFFAOYSA-N 313.295 -0.045 5 10 DBBE CN1C(=O)CC[C@@H](NC(=O)N=c2cc[nH]cc2[N+](=O)[O-])C1=O 425653713 ANVXRVPLEZYEML-MRVPVSSYSA-N 307.266 -0.319 5 10 DBBE CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599248782 ORPOOSCDNVIOLZ-ZETCQYMHSA-N 319.343 -0.669 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2CO)cn1 698134301 ADPADKXBSDHOLV-SFYZADRCSA-N 303.296 -0.894 5 10 DBBE NC(=O)CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1=O 1142005619 GRBNHEBXSKHBAG-UHFFFAOYSA-N 306.278 -0.636 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 1322320207 MAORADKIKAXQFV-CYBMUJFWSA-N 305.294 -0.076 5 10 DBBE CN(C)CC1(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1357809307 QPTVQIAXMAACAS-OPVGQWETSA-N 324.381 -0.218 5 10 DBBE C[C@@H]1CN(CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1570297116 ANHMTYWQDQONIJ-LLVKDONJSA-N 324.337 -0.719 5 10 DBBE CNC(=O)[C@@H]1CN(C(=O)Cn2c([N+](=O)[O-])cnc2C)CCO1 1632652926 YJWSYSZQDLWOHH-VIFPVBQESA-N 311.298 -0.927 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCN(C(N)=O)C1 1636099183 IFCRWQRJBVJALU-VIFPVBQESA-N 310.314 -0.383 5 10 DBBE COC(=O)[C@@](C)(O)CNC(=O)Cn1c([N+](=O)[O-])cnc1C 1638173375 WFSITWWHOKBXJW-NSHDSACASA-N 300.271 -0.860 5 10 DBBE CN(C1COC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 1915670000 RHFNOWWJBXRQIU-UHFFFAOYSA-N 302.312 -0.100 5 10 DBBE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1c1c(Cl)cncc1[N+](=O)[O-] 2200857151 HVMKRQMKGYGTDT-XVYDVKMFSA-N 303.658 -0.362 5 10 DBBE C[C@H]1CNCCN1S(=O)(=O)N=c1cc[nH]cc1[N+](=O)[O-] 2202432909 YMMRLZOOAQUJTA-QMMMGPOBSA-N 301.328 -0.638 5 10 DBBE CCn1ncc([N+](=O)[O-])c1N[C@@H](CS(C)(=O)=O)C(=O)O 2360622469 OCSUGAYWZHOECA-LURJTMIESA-N 306.300 -0.279 5 10 DBBE CCN(CCO)S(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 37900536 FSWUZAHGVRFENI-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE NNc1c(Cl)cc(C(=O)N(CCO)CCO)cc1[N+](=O)[O-] 51094322 MKBNZFHHLPKWPE-UHFFFAOYSA-N 318.717 -0.039 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@@](C)(O)CO)cc1[N+](=O)[O-] 90287617 MFYCPTSJUYSFCO-LLVKDONJSA-N 320.323 -0.375 5 10 DBBE O=C(O)[C@@H]1CNCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 95073797 DHBPJFJYXCDINI-QMMMGPOBSA-N 316.295 -0.963 5 10 DBBE Nc1sc(S(=O)(=O)N2CC[C@@](O)(CO)C2)cc1[N+](=O)[O-] 313683007 CWUCTEBJXVHUDP-VIFPVBQESA-N 323.352 -0.644 5 10 DBBE NC(=O)CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 459298434 ORRWELDKNMKNPM-UHFFFAOYSA-N 321.293 -0.244 5 10 DBBE C[C@@H]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CS1(=O)=O 598192057 KVTYTLHSWLGOKD-BDAKNGLRSA-N 316.339 -0.127 5 10 DBBE Cn1ccc(NC(=O)CNC(=O)CCn2cc([N+](=O)[O-])cn2)n1 619251706 NBDLEHCSIPQGQQ-UHFFFAOYSA-N 321.297 -0.330 5 10 DBBE CCN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 619801992 SAKNZUKOQBMIOB-SNVBAGLBSA-N 308.294 -0.507 5 10 DBBE O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])o1 1140884639 KZWTYGVOFZPQDW-SNVBAGLBSA-N 304.280 -0.533 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O 1445077576 FKCSNYRVEROSJD-SECBINFHSA-N 323.309 -0.248 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC(=O)N(C)C1=O 1461070424 ZDTVYETXPVCLGM-QMMMGPOBSA-N 309.282 -0.637 5 10 DBBE Cc1[nH]nc(C(=O)N[C@H](CO)Cc2cnn(C)c2)c1[N+](=O)[O-] 1469176562 HSZXENBXJIYYKO-VIFPVBQESA-N 308.298 -0.307 5 10 DBBE Cc1n[nH]c(C)c1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1528111572 TXWAEIVZKFYEIY-NXEZZACHSA-N 309.326 -0.120 5 10 DBBE CNC(=O)CN(CC(=O)NC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 1633845801 RDXAVFPEOMEQEQ-UHFFFAOYSA-N 322.321 -0.163 5 10 DBBE COCC[C@](C)(O)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1634434447 KNKTYFVRBCCUPV-ZDUSSCGKSA-N 313.310 -0.340 5 10 DBBE Cn1cc(CNC2(CO)COC(C)(C)OC2)c([N+](=O)[O-])n1 1645472613 NCOFGKSPYPYGDO-UHFFFAOYSA-N 300.315 -0.068 5 10 DBBE Cc1cc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 1733615231 HEBHLJFIUYKPQY-VXGBXAGGSA-N 312.326 -0.441 5 10 DBBE CCNC(=O)CC(=O)N(CC)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1745308038 DIGGBBOUQLSJIK-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE CN=c1[nH]c(N[C@H]2CS(=O)(=O)C[C@@H]2C)ncc1[N+](=O)[O-] 2157679870 GUVSBDVRZGTXIE-BQBZGAKWSA-N 301.328 -0.307 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NC2CC(O)(CO)C2)c1 2284570422 HSLAHBAPYFDNEU-UHFFFAOYSA-N 303.296 -0.846 5 10 DBBE O=C(O)[C@H](O)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 90262987 ZZOTYBHBLLSQJD-MRVPVSSYSA-N 308.243 -0.542 5 10 DBBE CCNC(=O)N1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 177950385 ZTIIDDPIPCNBPQ-SECBINFHSA-N 310.314 -0.289 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@](O)(C(F)(F)F)C1 330938144 BDNBQYOANMECSO-QMMMGPOBSA-N 309.204 -0.288 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@]2(O)CCOC2)nc1 593568670 XTQUUILZNAWEPL-JTQLQIEISA-N 303.296 -0.581 5 10 DBBE COc1ccc(S(=O)(=O)N[C@H]2CCNC2=O)c([N+](=O)[O-])c1 594793237 YCKQAUPZSBTMOV-QMMMGPOBSA-N 315.307 -0.230 5 10 DBBE COC(=O)[C@](C)(NC(=O)[C@H]1CC(=O)N1)c1cccc([N+](=O)[O-])c1 600523126 MPPZEDNDSOENQM-QMTHXVAHSA-N 321.289 -0.012 5 10 DBBE C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CCN1S(C)(=O)=O 853564215 KQIVAWKAGJMLMP-SECBINFHSA-N 303.344 -0.286 5 10 DBBE Cn1cc([N+](=O)[O-])c(NCCN2CCS(=O)(=O)CC2)n1 1162423516 AKPSMKCAJUVMEF-UHFFFAOYSA-N 303.344 -0.529 5 10 DBBE COC(=O)[C@@H]1CN(C)C(=O)CN1CCn1cc([N+](=O)[O-])cn1 1460900754 LTHZIUMSSAMMRH-JTQLQIEISA-N 311.298 -0.893 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](O)[C@H](CO)C1 1612468439 HMHLELQEBVALHF-GZMMTYOYSA-N 316.335 -0.212 5 10 DBBE COC(=O)[C@H](CCF)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1631947450 USQIIKAGBULPSM-QMMMGPOBSA-N 315.257 -0.226 5 10 DBBE CO[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@H]1O 1642689848 OWLPHGRPMMUZGE-RKDXNWHRSA-N 317.323 -0.562 5 10 DBBE COc1nc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 1705263194 JLLCZKKOWFXLNP-VXNVDRBHSA-N 324.293 -0.273 5 10 DBBE CN(CCCNC(=O)c1cn(C)cn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1743425149 CLQWONIOIPBKAE-MWLCHTKSSA-N 309.326 -0.336 5 10 DBBE Nc1ccc([N+](=O)[O-])c(NC[C@@H]2NC[C@@H](O)[C@H]2O)c1Cl 2234019669 LOFNBNLTDOEGMN-QXHCQDJKSA-N 302.718 -0.064 5 10 DBBE Nc1cc(NC[C@@H]2NC[C@H](O)[C@H]2O)c(Cl)cc1[N+](=O)[O-] 2234248030 FTMJOKITJZMOLV-LSJOCFKGSA-N 302.718 -0.064 5 10 DBBE Cn1cc(C(N)=O)cc1C(=O)NCCn1cc([N+](=O)[O-])cn1 129952343 PUKCHFCXFOBJAB-UHFFFAOYSA-N 306.282 -0.341 5 10 DBBE CNC(=O)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)C 178854290 NNEFVHRSNOWJCO-LBPRGKRZSA-N 310.310 -0.357 5 10 DBBE C[C@](CO)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 313521452 ORKFAPPYIHGVBA-SNVBAGLBSA-N 304.280 -0.291 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2COC[C@@H]2O)ccc1O 323525080 VGWULVNYAKHLLT-XVKPBYJWSA-N 304.280 -0.662 5 10 DBBE O=C1NC2(CCC2)C(=O)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 438724246 OGVHCBXCVIRALL-SECBINFHSA-N 309.282 -0.373 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(CO)(CO)C2)c1 595344868 OAWJJXRUUUHMJN-UHFFFAOYSA-N 316.335 -0.040 5 10 DBBE COC[C@]1(C(=O)OC)CCCN1c1ncc([N+](=O)[O-])c(N)n1 596408979 KXWWJDXWAXXRIS-LBPRGKRZSA-N 311.298 0.125 5 10 DBBE COCC[C@H](COC)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599309490 GMZLQFKKIUNOBO-MRVPVSSYSA-N 322.343 -0.342 5 10 DBBE O=C(NC[C@H]1CNC[C@@H]1O)c1cc(Cl)ncc1[N+](=O)[O-] 702810384 BVMUKUIATUATMD-MUWHJKNJSA-N 300.702 -0.047 5 10 DBBE CNC(=O)CN(CC(=O)NC)C(=O)c1ccc([N+](=O)[O-])cc1C 1177018880 WFXUFDMGAFFIJJ-UHFFFAOYSA-N 322.321 -0.163 5 10 DBBE CCS(=O)(=O)C[C@@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1 1328176620 GPGQVVLDUWBCAZ-SSDOTTSWSA-N 305.316 -0.874 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC(=O)[C@@]1(F)CCS(=O)(=O)C1 1587348198 KUKJIPJBWVSQBW-SECBINFHSA-N 306.275 -0.206 5 10 DBBE CNS(=O)(=O)CCCNC(=O)Cn1c([N+](=O)[O-])cnc1C 1648809858 GLTOEWBWPVZOMU-UHFFFAOYSA-N 319.343 -0.845 5 10 DBBE CC(=O)N(C)CCCC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1686589118 IZKGDZDQJGMURT-GHMZBOCLSA-N 314.342 -0.858 5 10 DBBE Cn1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1O 1705034844 GSWGDSILQIBVQI-XPDWMRMNSA-N 323.309 -0.807 5 10 DBBE O=C(Cc1ccon1)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1726220533 XCTAKIVBAJWEQL-HJQYOEGKSA-N 322.321 -0.107 5 10 DBBE O=C(NCC(O)(CO)CO)c1ccc([N+](=O)[O-])cc1Cl 1913800436 INDGFEOYEZFFHN-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE CS(=O)(=O)[C@H]1CCC[C@@]1(C(=O)O)n1cnc([N+](=O)[O-])n1 2144984569 PUDXPHHAVITZDQ-IMTBSYHQSA-N 304.284 -0.437 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCNC(=O)CC1 62102154 RRAHPZGVULXNAQ-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE CNc1ccc(S(=O)(=O)NCCNC(N)=O)c([N+](=O)[O-])c1 147421769 XKQXXVIVRMJQFI-UHFFFAOYSA-N 317.327 -0.417 5 10 DBBE CSC[C@](C)(O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 230164996 RYOMQJLWQGDRMY-WDEREUQCSA-N 304.372 -0.144 5 10 DBBE C[C@H](O)C(=O)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 281139946 ZCOBCURBEJSECC-VIFPVBQESA-N 323.305 -0.034 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@H]1CO 698139053 NPLBPRZKCPYVAW-IUCAKERBSA-N 302.308 -0.289 5 10 DBBE CS(=O)(=O)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 1256594827 SPCJRIUARFFFGM-MRVPVSSYSA-N 314.323 -0.288 5 10 DBBE O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 1297990286 GAGHQSTWEOATIT-GFCCVEGCSA-N 314.319 -0.126 5 10 DBBE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1N 1546238156 DDHKPUFAUOHDRY-KCJUWKMLSA-N 309.278 -0.075 5 10 DBBE O=C(CCn1cccc1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1738024891 SORIBDGHHDCSSS-VXGBXAGGSA-N 306.322 -0.130 5 10 DBBE CN(CCN(C)S(C)(=O)=O)c1ccc([N+](=O)[O-])c(N)n1 2146926015 PUNWGQHQJTWRSV-UHFFFAOYSA-N 303.344 -0.100 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2C[C@@H]3[C@H](CCS3(=O)=O)C2)n1 2196047083 IVBNTEHPBPEGRG-LDYMZIIASA-N 300.340 -0.053 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(CO)CO 126279169 VPJJCTLMIZYYOS-UHFFFAOYSA-N 320.323 -0.375 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(CO)CO 126282891 GJHROHPYEBSREL-UHFFFAOYSA-N 320.323 -0.375 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)NN2CCOCC2)c1 148567943 UAESRTANULQTAM-UHFFFAOYSA-N 317.327 -0.594 5 10 DBBE COC(=O)[C@H](O)CNC(=O)c1cc(Cl)ncc1[N+](=O)[O-] 227048592 GQSDTMGUBOCWFI-SSDOTTSWSA-N 303.658 -0.093 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CCO[C@@H](CO)C2)c1 312566575 YYPHTKAAXXBZSF-SECBINFHSA-N 303.296 -0.628 5 10 DBBE CC(=O)N1CSC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 331191146 VVNUWNYGFTWTSW-SNVBAGLBSA-N 313.339 -0.171 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@H]2COC[C@@H](C1)O2 338276766 BDBNRCBAJHWEIM-PHIMTYICSA-N 309.278 -0.617 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 594391727 CKWKARXABOSJEM-NWDGAFQWSA-N 323.353 -0.233 5 10 DBBE C[C@@H]1C(=O)N(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C(=O)N1C 1148187952 UEOHQGBEFCMBGP-XCBNKYQSSA-N 322.277 -0.058 5 10 DBBE COCCNCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1273969749 XXMWEJNTPWQGKQ-GHMZBOCLSA-N 301.343 -0.447 5 10 DBBE CNC(=O)CN1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1465491789 GWJKOARRXYBKBC-UHFFFAOYSA-N 322.325 -0.924 5 10 DBBE COC(=O)[C@H]1COCCN1C(=O)c1cnc(O)c([N+](=O)[O-])c1 1621106945 SKYVYOBUHKLKDO-SECBINFHSA-N 311.250 -0.291 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 1624121063 FWIPDXJEDNRMNP-QMMMGPOBSA-N 316.339 -0.024 5 10 DBBE CCN(C)C(=O)CN(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1660139302 OTMJMFNEBCCMNC-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE CNC[C@](C)(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1919708716 HNXVIWMYFSFAIN-SSDOTTSWSA-N 308.092 -0.032 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](O)[C@H](F)C1 2149266767 RIGVKCUDBBDLHM-APPZFPTMSA-N 305.287 -0.120 5 10 DBBE O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1NC[C@@H](O)[C@H]1O 2201149033 KNZWRRXFHMBDTJ-OPRDCNLKSA-N 301.686 -0.120 5 10 DBBE NNc1cccc(CN2C(=O)CCS2(=O)=O)c1[N+](=O)[O-] 2236877984 TZGPLDBDSJFIMG-UHFFFAOYSA-N 300.296 -0.058 5 10 DBBE O=C(Nc1cc(Cl)ncc1[N+](=O)[O-])[C@H]1NC[C@@H](O)[C@H]1O 2357923442 KCAZINHNSWMHIH-BWVDBABLSA-N 302.674 -0.725 5 10 DBBE O=Cc1ccc(O[C@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c1 37693029 PFRJYRZFNBBAEY-ONGXEEELSA-N 301.276 -0.056 5 10 DBBE COCCOCCCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 235022741 FVKJXWQLXBMDKH-UHFFFAOYSA-N 308.316 -0.508 5 10 DBBE Nc1c(C(=O)N[C@H](CO)CN2CCOCC2)cccc1[N+](=O)[O-] 339220683 PKHVWADZMVHKQP-JTQLQIEISA-N 324.337 -0.400 5 10 DBBE CNS(=O)(=O)NCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 339265319 OXYQUQJFWVIJJS-MRVPVSSYSA-N 316.339 -0.174 5 10 DBBE C[C@H](O)CN(CCO)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594777757 AYWZMRLSHWWZJM-QMMMGPOBSA-N 305.312 -0.646 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccnc(O)c1[N+](=O)[O-] 697276853 DICSSTTXQHUYOW-SFYZADRCSA-N 303.296 -0.081 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2(CO)CCNCC2)cc1 725373183 BHDQNNKXHORXPK-UHFFFAOYSA-N 315.351 -0.012 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC(=O)[C@]1(F)CCS(=O)(=O)C1 1128216975 LZJQHKFHDIKNOX-VIFPVBQESA-N 306.275 -0.206 5 10 DBBE CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)Cn1cnc([N+](=O)[O-])n1 1129805794 WJXACBUVEZQZEV-VIFPVBQESA-N 310.314 -0.298 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCN2C(=O)NC(=O)[C@H]2C1 1192939625 PAFWPURWUGNKSZ-SECBINFHSA-N 308.298 -0.664 5 10 DBBE COCC1(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1498175661 PIZYUWZITHPDJJ-GHMZBOCLSA-N 311.338 -0.205 5 10 DBBE Cc1ncc(CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 1705272034 NPZVYTKQKKBCDQ-GHMZBOCLSA-N 322.321 -0.044 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@H](F)[C@@H](CO)C2)c1 2177138192 KSLUYDUYMUZAOZ-XCBNKYQSSA-N 305.287 -0.059 5 10 DBBE N[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(F)c1)C(=O)O 2286029097 YCGMYJJGKJEPKE-SSDOTTSWSA-N 307.259 -0.113 5 10 DBBE Cc1nn(C[C@@H](O)CNCCNC(N)=O)c(C)c1[N+](=O)[O-] 160969211 CJCCYSKZCFLCRI-VIFPVBQESA-N 300.319 -0.973 5 10 DBBE NC(=O)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 266820092 FMZWKSZYSBYGTH-UHFFFAOYSA-N 320.305 -0.245 5 10 DBBE COc1nc(NS(=O)(=O)c2cncc([N+](=O)[O-])c2)n[nH]1 312246410 DPOZICLMMKEFPI-UHFFFAOYSA-N 300.256 -0.083 5 10 DBBE NNc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](O)C1 313615575 DXGCMPUBZDUGSJ-ZETCQYMHSA-N 302.312 -0.364 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2COC[C@H]2O)c([N+](=O)[O-])c1 323356749 AOYYCSLRHPEOQM-IONNQARKSA-N 303.296 -0.785 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594762944 QPBMASUPUNTKJR-ZETCQYMHSA-N 300.296 -0.501 5 10 DBBE NS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 609623666 UKBQXACSCDCUFK-SSDOTTSWSA-N 302.312 -0.184 5 10 DBBE Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)CN1CCOCC1 619871143 XKNFHJPRCZPEEI-JTQLQIEISA-N 324.337 -0.400 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)CC(C)(C)O)C1 1267644550 SVILYFPJMUCJBY-UHFFFAOYSA-N 311.342 -0.210 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2c2ncon2)n1 1341944813 KEPPCJICRUQKMO-QMMMGPOBSA-N 308.254 -0.075 5 10 DBBE C[C@@]1(CO)C[C@H](O)CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1453750674 VRSBLFZZAUEYBZ-RRAGMBSWSA-N 304.690 -0.071 5 10 DBBE Cc1nn(C)c(C(=O)N[C@@H](CO)c2cnn(C)c2)c1[N+](=O)[O-] 1457738891 VFJMVRYBIBQGQD-VIFPVBQESA-N 308.298 -0.166 5 10 DBBE CCN(C)C(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1481378960 KDPLMXZNGSETBL-WUHRBBMRSA-N 324.381 -0.195 5 10 DBBE O=C(NCCN(C(=O)[C@@H]1[C@H]2COC[C@H]21)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1581468273 KCSSJGMPCUAHLQ-LBELIVKGSA-N 323.349 -0.349 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](CO)[C@@H](CCO)C2)n1 1637648650 VPEZXKAZFGCOGQ-UWVGGRQHSA-N 312.326 -0.126 5 10 DBBE O=c1[nH]ccn2c(Cn3cc([N+](=O)[O-])cc(F)c3=O)nnc12 1644029545 OANXBXAPGOSJQS-UHFFFAOYSA-N 306.213 -0.325 5 10 DBBE CNC(=O)c1ccc(N2CC3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 1651514789 JUXKRPCYNGXEQH-UHFFFAOYSA-N 319.277 -0.647 5 10 DBBE Cc1c(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1703578284 IMORHTNVRDBMTG-ZYHUDNBSSA-N 323.353 -0.028 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc[n+]([O-])cc1 1745106005 IVSPHZNMUGPLPJ-GHMZBOCLSA-N 308.294 -0.827 5 10 DBBE C[C@@H](CS(N)(=O)=O)Nc1nc(C(=O)O)ccc1[N+](=O)[O-] 2152940063 LTESHCNORFDREP-YFKPBYRVSA-N 304.284 -0.223 5 10 DBBE CN1[C@@H](CNCc2nn(C)cc2[N+](=O)[O-])CCS1(=O)=O 2159124865 VGDGGAKTPRANPZ-MRVPVSSYSA-N 303.344 -0.548 5 10 DBBE N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2168120371 RCOHXIIUDYTGQJ-JGVFFNPUSA-N 302.312 -0.928 5 10 DBBE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1nc(Cl)ncc1[N+](=O)[O-] 2234069539 RWXQONSQBJIVLN-BWZBUEFSSA-N 304.690 -0.405 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNC[C@@H](O)C1 141307676 CUCRGGQANDKXFF-SECBINFHSA-N 301.324 -0.450 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CCO)[C@H](C)C2)n1 191897527 VNRNAEFHWVFJDR-SNVBAGLBSA-N 311.342 -0.050 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1COC[C@@H]1O 323439311 SCLJNPMJYLIGIB-IUCAKERBSA-N 303.296 -0.785 5 10 DBBE N[C@H]([C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C(=O)O)C(=O)O 514284363 GEQBBGGANDSSEX-UTLUCORTSA-N 314.250 -0.898 5 10 DBBE C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1CS(N)(=O)=O 1157559677 JXQZXXPVHMJMAL-SFYZADRCSA-N 316.339 -0.081 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCS1(=O)=O 1158097110 LFKKARLPTVGNQH-SSDOTTSWSA-N 302.312 -0.365 5 10 DBBE CCn1cc(CN(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1272013343 KJGCMPSEVBUQIE-VXGBXAGGSA-N 310.358 -0.147 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCC(O)(COCCO)CC1 1307213971 PQYZVKYABOPDPZ-UHFFFAOYSA-N 300.315 -0.332 5 10 DBBE CCN(CCNC(=O)c1n[nH]cc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581188273 ASCNOBUDRHCQGR-VXNVDRBHSA-N 313.289 -0.208 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CS(=O)(=O)C[C@@H]1O 2177813041 NFVZUERWPPAZSC-SFYZADRCSA-N 304.328 -0.311 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CC2(C1)OC[C@@H](O)[C@@H]2O 2183652878 ZBXGRPWSBWLTFE-BDAKNGLRSA-N 302.308 -0.541 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 2192675242 IEGPFDFNQMYSMR-POYBYMJQSA-N 319.364 -0.229 5 10 DBBE O=[N+]([O-])c1ccc(S[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 106384560 IXFOBQXJWRLXMD-HGCLJGPKSA-N 317.319 -0.513 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F 136254748 HVAHKZWQBFHVBY-YFKPBYRVSA-N 320.302 -0.142 5 10 DBBE C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1 173828946 CUTCOEIDJSPATN-YPMHNXCESA-N 323.353 -0.030 5 10 DBBE NNc1ncnc(N2CCCS(=O)(=O)CC2)c1[N+](=O)[O-] 236293441 BRDGOASKCHNRNW-UHFFFAOYSA-N 302.316 -0.705 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@@H](O)C[C@@H](O)C1 610669080 CWMSWQBHTVDUJI-DTORHVGOSA-N 324.289 -0.066 5 10 DBBE CCOC[C@H](C(=O)OC)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] 611543450 RBFPSOWQRKOYOZ-SECBINFHSA-N 314.298 -0.022 5 10 DBBE NNc1ncc([N+](=O)[O-])c(N2CCS[C@H](CCO)C2)n1 719980533 YEYZMPDKALYFNA-SSDOTTSWSA-N 300.344 -0.025 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CN(C2CC2)C(=O)O1 847265412 BLGBBALSZZMJIC-SNVBAGLBSA-N 309.282 -0.109 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCn2c(O)nnc2C1 1116616761 RAHJYCGXDQVKDB-UHFFFAOYSA-N 307.270 -0.561 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)n1 1455302984 BHBXHNKITNAWEZ-VHSXEESVSA-N 309.326 -0.391 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1616801004 JRHACQNZUGVLAF-APPZFPTMSA-N 316.339 -0.351 5 10 DBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](O)[C@@H](O)C1 1642795948 VXWXZVWNWJZGKP-OLZOCXBDSA-N 320.305 -0.101 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cn[nH]c1 1704275628 JAEDPVLUQAFNII-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE CN(C)CCN1CC[C@H](CNC(=O)c2cnc([N+](=O)[O-])n2C)C1 1890897596 QXZJAEZKYNDIOP-LLVKDONJSA-N 324.385 -0.058 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=N[C@H]1CS(=O)(=O)C[C@@H]1O 2121333141 JSAAUOQSXLOJAQ-XPUUQOCRSA-N 307.715 -0.365 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC[C@H]2CO)c([N+](=O)[O-])c1 2148959091 VEFVJSVPXMTSLQ-QMMMGPOBSA-N 302.312 -0.364 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1ccc([N+](=O)[O-])cc1N 2192675271 CXPNALLBTGCGNC-QWRGUYRKSA-N 300.340 -0.026 5 10 DBBE CNCc1ccc(O[C@@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1 37703137 CKGFURDUDDHVAN-ZYHUDNBSSA-N 316.335 -0.149 5 10 DBBE NNc1cc(C(=O)NCCCS(N)(=O)=O)ccc1[N+](=O)[O-] 54415598 KIVHSEBBUFISTC-UHFFFAOYSA-N 317.327 -0.711 5 10 DBBE O=C(CNC(=O)c1cccnc1)NCCn1cc([N+](=O)[O-])cn1 122368938 LFAZGNBWTPFDFM-UHFFFAOYSA-N 318.293 -0.268 5 10 DBBE O=C(NC[C@H]1CNC[C@@H]1O)c1n[nH]c2ccc([N+](=O)[O-])cc12 262344874 TZSJIMSXYVCCHV-HQJQHLMTSA-N 305.294 -0.219 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 323356747 AOYYCSLRHPEOQM-CBAPKCEASA-N 303.296 -0.785 5 10 DBBE C[C@@H]1CN(c2ncnc(N)c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O 400821815 FTMGFNSADCAEDP-RNFRBKRXSA-N 301.328 -0.021 5 10 DBBE NCCCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 419831716 IDIVAGHOSBRHPD-UHFFFAOYSA-N 306.322 -0.056 5 10 DBBE CCOC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC12COC2 452218804 HRAOPNQWRSLTCS-QMMMGPOBSA-N 324.293 -0.030 5 10 DBBE COC(=O)[C@H]1CCS(=O)(=O)N1Cc1onc(C)c1[N+](=O)[O-] 596300282 AXYHWMPKCPSBKZ-SSDOTTSWSA-N 319.295 -0.032 5 10 DBBE Cc1c(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nnn1C 1351465639 ADPPJSDLARQRMP-NXEZZACHSA-N 324.341 -0.633 5 10 DBBE C/C=C(/C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1487032460 KVKQVSNEYPEQFL-GIGCTMKZSA-N 311.338 -0.303 5 10 DBBE NS(=O)(=O)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 1620634879 XSFWYPYDDLWIOV-SECBINFHSA-N 303.344 -0.598 5 10 DBBE COC(=O)[C@@H]1CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1641333624 MBLVVYYEJIGYJF-VIFPVBQESA-N 309.278 -0.080 5 10 DBBE CNC(=O)CN1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1666364633 ZQZOBVHBSJBBJY-VXGBXAGGSA-N 312.370 -0.384 5 10 DBBE Cc1cnn(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1737726217 OGOZIDYHCZWDLP-GHMZBOCLSA-N 309.326 -0.569 5 10 DBBE O=C(COCC(F)F)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1758703809 UCZDMSRUFNPVQM-BZNPZCIMSA-N 321.280 -0.303 5 10 DBBE NC(=O)[C@@H]1CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 1963537159 LPKIBHUFIXUOAW-QMMMGPOBSA-N 303.271 -0.018 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=NC[C@H]1CCS(=O)(=O)N1 2089989372 CKNDSIIXNYVTLO-RXMQYKEDSA-N 307.719 -0.436 5 10 DBBE C[C@@H](CS(N)(=O)=O)Nc1cnc([N+](=O)[O-])cc1C(=O)O 2152942853 YMBNARVLHDMKNG-YFKPBYRVSA-N 304.284 -0.223 5 10 DBBE CCc1nn(C)c(O[C@H]2CS(=O)(=O)C[C@H]2N)c1[N+](=O)[O-] 2177960524 ZKGIVILVDICTJM-SVRRBLITSA-N 304.328 -0.606 5 10 DBBE Cc1cc(S(=O)(=O)NC[C@@H](O)CN)cc([N+](=O)[O-])c1F 2182585565 FVSPZAZMUUEHDM-ZETCQYMHSA-N 307.303 -0.360 5 10 DBBE NNc1cc(NCCNS(N)(=O)=O)c(Cl)cc1[N+](=O)[O-] 2234447879 OABGHLLPQZXLIQ-UHFFFAOYSA-N 324.750 -0.261 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H](O)[C@H](O)[C@H](CO)C1 2289486112 SAQJHQFYICIPMH-APQOSEDMSA-N 304.690 -0.812 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 110669040 IBWWCYGMYLVUBM-SSDOTTSWSA-N 315.307 -0.191 5 10 DBBE CN1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1=O 151076219 ILURCNMFCFIPAH-SECBINFHSA-N 310.314 -0.289 5 10 DBBE Nc1cccc(S(=O)(=O)N2CCOC[C@@H]2CO)c1[N+](=O)[O-] 168911410 RPMDSHSYVBMYPC-QMMMGPOBSA-N 317.323 -0.441 5 10 DBBE CO[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 227282331 LUEYTTDQSYNSDY-SSDOTTSWSA-N 305.268 -0.632 5 10 DBBE CNc1nc(C)c([N+](=O)[O-])c(NCCNS(C)(=O)=O)n1 234493095 YBHVDDUOLKPBIG-UHFFFAOYSA-N 304.332 -0.304 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)ccc1Cl 236600571 JRNOVICWMDZTFX-UWVGGRQHSA-N 322.726 -0.026 5 10 DBBE CNC(=O)CN1CCCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 372684065 YGBISSRYDCSDKO-UHFFFAOYSA-N 310.358 -0.105 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1NC(=O)C[S@](=O)C[C@H](O)CO 526885900 OJLFPKWDKNLLTK-LADRHHBVSA-N 316.335 -0.056 5 10 DBBE COC[C@@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593554559 VDFQZKXTKIFXCJ-JTQLQIEISA-N 305.312 -0.335 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCNC2=O)c1 693955517 RJFUFYFDCPPSQF-ZETCQYMHSA-N 300.296 -0.656 5 10 DBBE O=C(NC[C@H]1CNC[C@@H]1O)c1cc([N+](=O)[O-])cnc1Cl 702813683 NDTNYKDIYDQUSB-MUWHJKNJSA-N 300.702 -0.047 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(c2cc([N+](=O)[O-])cc(N)n2)C1 703163479 QIVAWBSKVYYMDC-SSDOTTSWSA-N 301.328 -0.300 5 10 DBBE NS(=O)(=O)C1CN(C(=O)COc2ccccc2[N+](=O)[O-])C1 1142053221 JBBXFWVDLBJZQN-UHFFFAOYSA-N 315.307 -0.527 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1 1157830281 ZEFAMDNPFXZOFX-JTQLQIEISA-N 302.308 -0.270 5 10 DBBE NC(=O)[C@H]1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1161560955 TXBLTDSFIMTPHO-DTWKUNHWSA-N 308.294 -0.473 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCC(NS(N)(=O)=O)CC1 1331553545 GGGAQNLGVVKQCV-UHFFFAOYSA-N 304.332 -0.910 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(N2CC[C@H](O)C2)CC1 1334781480 AMTHVAIFRJCYDO-NSHDSACASA-N 323.353 -0.001 5 10 DBBE Cn1c(=O)c([N+](=O)[O-])c(N2CC(O)(C(N)=O)C2)c2ccccc21 1458538363 FHPNHIHCVHVQOG-UHFFFAOYSA-N 318.289 -0.517 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCS(=O)(=O)C2)n1 1524219817 VIKVRKWHFZAPAB-MRVPVSSYSA-N 316.339 -0.117 5 10 DBBE CCN(CCNCc1nnnn1C1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1568741851 HVIJHVRDTOXKNJ-GHMZBOCLSA-N 323.357 -0.389 5 10 DBBE COCCCN1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1690071797 JFTJLVGOLOHOPW-CHWSQXEVSA-N 314.386 -0.578 5 10 DBBE Cc1ncc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C 1704242884 RIWNOJHNNMFLQQ-NXEZZACHSA-N 309.326 -0.418 5 10 DBBE CCn1ncnc1CNC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1716292173 FDBNRIXNRVMVKH-YIZUVKHSSA-N 308.342 -0.275 5 10 DBBE Cc1cncc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1733615445 KHCMVNUFDHBDKS-ZIAGYGMSSA-N 322.365 -0.034 5 10 DBBE O=[N+]([O-])c1nc(Br)n(CC2=NO[C@@H]3CNC[C@@H]23)n1 2068452951 NGWOPVCJZBEWLQ-UJURSFKZSA-N 317.103 -0.077 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NN2CCNCC2)c1 2145592936 GNTCOVHHASDUOL-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@]2(CF)CCNC2)c1 2158308737 WMUUOUUZNVEHJY-JTQLQIEISA-N 304.303 -0.030 5 10 DBBE Cn1cc([N+](=O)[O-])c(C[C@@]2(C(=O)O)CCCS2(=O)=O)n1 2159111030 JLPQFBAHQXAQKG-SNVBAGLBSA-N 303.296 -0.097 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](F)[C@@H](CO)C2)cn1 2177141773 YWFIHGSPQGHTHT-VXNVDRBHSA-N 305.287 -0.059 5 10 DBBE O=C(O)[C@H]1CN(Cc2ccc([N+](=O)[O-])o2)CCS1(=O)=O 2197723657 URFNUTGBMRDBDQ-MRVPVSSYSA-N 304.280 -0.129 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOCC1 36895439 CZDNIWXUXUMWOW-UHFFFAOYSA-N 302.312 -0.099 5 10 DBBE C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N)c1nn[nH]n1 50672570 SSPWCXDEYGDBEK-RXMQYKEDSA-N 313.299 -0.270 5 10 DBBE CC(=O)N[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 81133424 AHUQVXPSDKRENO-JTQLQIEISA-N 316.291 -0.042 5 10 DBBE Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1[N+](=O)[O-] 126896724 FXOWOHOJVPVAFB-UHFFFAOYSA-N 300.296 -0.703 5 10 DBBE NNc1cc(S(=O)(=O)N[C@@H]2CCOC2)ccc1[N+](=O)[O-] 131332933 LVHIUUJYBOYIEQ-SSDOTTSWSA-N 302.312 -0.052 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNC[C@H](O)C2)cc1 222282973 YKRFAIQPYOAQEO-JTQLQIEISA-N 301.324 -0.450 5 10 DBBE COc1ncnc(NCCCNS(C)(=O)=O)c1[N+](=O)[O-] 231002934 KHEQLRLKLODHPK-UHFFFAOYSA-N 305.316 -0.255 5 10 DBBE CCCNc1ncc([N+](=O)[O-])c(NCCS(N)(=O)=O)n1 233201581 NCGQZFKUXYMCIV-UHFFFAOYSA-N 304.332 -0.093 5 10 DBBE O=C1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]2CCCC[C@@H]2N1 344199317 JCXOUYXYVUPYFP-DTWKUNHWSA-N 308.298 -0.544 5 10 DBBE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1=O 374128807 HAFGSUXQINWBKI-UTLUCORTSA-N 307.310 -0.083 5 10 DBBE NS(=O)(=O)[C@H]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])C1 707415312 RHJQGYPCSOWSCB-YFKPBYRVSA-N 307.719 -0.095 5 10 DBBE C[C@H](O)[C@@H](O)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722282883 QZSNNKNBEKOLJX-WKEGUHRASA-N 305.312 -0.803 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 1140713583 HOQQNJBWAWQQPG-UHFFFAOYSA-N 314.323 -0.169 5 10 DBBE Cc1noc(CN2CCN3[C@H](CNS3(=O)=O)C2)c1[N+](=O)[O-] 1176414687 ZGWAZJYPEOKICK-MRVPVSSYSA-N 317.327 -0.775 5 10 DBBE Cc1nc2n(n1)C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])CC2 1319897328 ZIQQPKFYGKJHED-MRVPVSSYSA-N 305.298 -0.027 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(O)(c3cnnn3C)C2)n1 1644368028 KRTQXHWDJWOZMQ-UHFFFAOYSA-N 318.293 -0.230 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](CO)[C@H]1CO 1646107322 PEGCRNWWNAULTB-CMPLNLGQSA-N 312.326 -0.227 5 10 DBBE CN(c1ncnc(N)c1[N+](=O)[O-])[C@@H]1CS(=O)(=O)C1(C)C 2153843764 YNKDAMGUKGJPOI-ZCFIWIBFSA-N 301.328 -0.021 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COC[C@H]2O)cn1 2154108189 HIAGQBJVFMBQAD-IONNQARKSA-N 303.296 -0.725 5 10 DBBE NNc1sc(S(=O)(=O)NC2[C@@H]3COC[C@@H]23)cc1[N+](=O)[O-] 2174659016 HROAYICTVZRSED-RFZPGFLSSA-N 320.352 -0.135 5 10 DBBE CO[C@H]1C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 2188222931 SHTNBBUIMGNVBS-BDAKNGLRSA-N 302.312 -0.054 5 10 DBBE CCn1cc([N+](=O)[O-])c(=O)n(C[C@H](O)P(C)(C)=O)c1=O 2237191594 IPZMWRVPIGYXLT-MRVPVSSYSA-N 305.227 -0.121 5 10 DBBE CN(Nc1nc(NN)ncc1[N+](=O)[O-])S(=O)(=O)C1CC1 2365276446 JMUKNMGLCOYAIG-UHFFFAOYSA-N 303.304 -0.579 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](O)CO 90281477 VEVHJGCIACAIJJ-QMMMGPOBSA-N 306.296 -0.765 5 10 DBBE O=[N+]([O-])c1nc(Br)n(CCN2CCNCC2)n1 231803153 HQPALBKGZFRQEN-UHFFFAOYSA-N 305.136 -0.146 5 10 DBBE O=C(c1cc([N+](=O)[O-])cnc1O)N1CCN2CCOC[C@@H]2C1 368310163 LAGRLJZQTKYCHW-JTQLQIEISA-N 308.294 -0.148 5 10 DBBE N=c1ccc([N+](=O)[O-])c(NCCN2CCCS2(=O)=O)[nH]1 405456737 TUNIUGNKJGWRTJ-UHFFFAOYSA-N 301.328 -0.150 5 10 DBBE COc1ccc([N+](=O)[O-])c(N2CCN(CC(N)=O)C(=O)C2)c1 413426925 XROASGCDDDICDO-UHFFFAOYSA-N 308.294 -0.263 5 10 DBBE CC(C)Oc1cncc(NC(=O)Cn2cnc([N+](=O)[O-])n2)n1 594067607 PZJWVSBVDBPHGK-UHFFFAOYSA-N 307.270 0.402 5 10 DBBE O=[N+]([O-])c1cnc2ccc(NC[C@@]3(OCCO)CCOC3)nn12 596431598 PKJFIWHCJOEMCX-ZDUSSCGKSA-N 323.309 0.217 5 10 DBBE CNC(=O)[C@H]1CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599217503 ACTSYKGISOCJOR-SSDOTTSWSA-N 317.327 -0.773 5 10 DBBE Cc1[nH]nc(C(=O)NC[C@H]2CN3CCCN2CC3)c1[N+](=O)[O-] 619873745 UFOYNLOMWBVNFX-JTQLQIEISA-N 308.342 -0.254 5 10 DBBE NS(=O)(=O)N1CCC(N=c2cc[nH]cc2[N+](=O)[O-])CC1 698671676 JHDIGZAOSPZJOI-UHFFFAOYSA-N 301.328 -0.509 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CO)[C@H](O)C1 1154148172 SMYNYFZTOKOMLL-CYZMBNFOSA-N 310.306 -0.170 5 10 DBBE CN(C)CCCCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1284899980 GQOZUKXSBIMKIA-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)n1 1306738125 CMHPRFWFFLZROO-SECBINFHSA-N 314.323 -0.199 5 10 DBBE CCc1nn(C)c(NC[C@]2(CO)COCCN2C)c1[N+](=O)[O-] 1458613125 GMAJAOGTJYSXBF-ZDUSSCGKSA-N 313.358 -0.004 5 10 DBBE CN1CCCC[C@@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C1=O 1462031140 BWXGMXOVKSXXNQ-SECBINFHSA-N 310.314 -0.344 5 10 DBBE CC(C)N(CCCNC(=O)CC(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704427901 DQHNRTUTOYWRIM-NXEZZACHSA-N 314.342 -0.730 5 10 DBBE NC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)COC1 2151384859 ORSPHZWTEDCRCV-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1O[C@@H]1CS(=O)(=O)C[C@H]1N 2177959808 UAQLTYZLNXBOOE-HTQZYQBOSA-N 304.328 -0.377 5 10 DBBE O=C(O)[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CCS1(=O)=O 2197721155 BUSFYSFFUPNMGG-SSDOTTSWSA-N 302.268 -0.927 5 10 DBBE CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCO)CCO)c1 50669686 KKAWJYHXLQHWLN-UHFFFAOYSA-N 319.339 -0.388 5 10 DBBE COC[C@@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302320 UBWAEPNSILDWMV-QMMMGPOBSA-N 305.312 -0.382 5 10 DBBE O=C(O)c1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc([N+](=O)[O-])c1 247327611 NTYQLZCIRRRKCF-LMLFDSFASA-N 314.250 -0.856 5 10 DBBE CN(CC(=O)N1CCOCC1)c1ncc([N+](=O)[O-])cc1C(N)=O 298448121 SQDYJHBDDUTJKS-UHFFFAOYSA-N 323.309 -0.616 5 10 DBBE NNc1ccc(CN2CCCNS2(=O)=O)cc1[N+](=O)[O-] 308401620 SOWGCSMBJRHCLR-UHFFFAOYSA-N 301.328 -0.080 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1c2ccccc2C[C@@H]1O 340237720 VUYUYFWJBCQFIV-CMPLNLGQSA-N 303.278 -0.039 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC[C@@H]1[C@@H]1CCCO1 341871710 CJNMOVMXNSTKLY-ZJUUUORDSA-N 311.298 -0.407 5 10 DBBE CC[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC 599339084 FSFSUCSIIZWMHH-ZETCQYMHSA-N 320.327 -0.194 5 10 DBBE CC(C)(CO)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 611516015 MUFIPHQZAMWZLM-UHFFFAOYSA-N 312.330 -0.899 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)n1 1124308925 ZJWCFLCSKMWPMW-SNVBAGLBSA-N 302.312 -0.365 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1625896210 IHYIOUYSTBCIGU-VXGBXAGGSA-N 320.305 -0.094 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(CCO)C[C@H]1C 1629799038 QOPRHXYNFGWNRA-SNVBAGLBSA-N 311.342 -0.375 5 10 DBBE Cc1nn[nH]c1C(=O)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1688496267 YXFKETAMXYVSLN-NXEZZACHSA-N 322.325 -0.501 5 10 DBBE COc1cncc(CN(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1713451685 OTFSTFRTCVRLOM-GHMZBOCLSA-N 309.326 -0.302 5 10 DBBE O=C1CC[C@H](NC(=O)C(=O)Cc2ccccc2[N+](=O)[O-])C(=O)N1 1866062252 IULIBCPWRVWDLL-VIFPVBQESA-N 319.273 -0.372 5 10 DBBE O=C(O)[C@H](O)Cn1cc(Br)cc([N+](=O)[O-])c1=O 1940166457 YUHXHLKTJIKOPY-ZCFIWIBFSA-N 307.056 -0.036 5 10 DBBE C[C@@H](CCS(C)(=O)=O)N=c1cc([N+](=O)[O-])cc(NN)[nH]1 2160750682 MJZLCSQZMNGEBM-ZETCQYMHSA-N 303.344 -0.068 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2C[C@@H](O)C[C@H]2O)cc1[N+](=O)[O-] 2165088205 FXRXBMGFSHTZJY-WYDQCIBASA-N 323.352 -0.599 5 10 DBBE C[S@@](=O)(CC1CNC1)=NC(=O)Cn1cc([N+](=O)[O-])cn1 2165755630 HFJGXRWLRZMHQY-HXUWFJFHSA-N 301.328 -0.365 5 10 DBBE O=[N+]([O-])c1ccc(CNS(=O)(=O)N2CC(O)C2)c(F)c1 2176890277 ILHTWBNZBLBBGR-UHFFFAOYSA-N 305.287 -0.255 5 10 DBBE COCC[S@@](=O)CCN=c1nc(OC)c([N+](=O)[O-])c[nH]1 2207019738 UZOLXBNICKCZDJ-FQEVSTJZSA-N 304.328 -0.378 5 10 DBBE O=C(NCCS(=O)(=O)CCO)c1cc([N+](=O)[O-])cs1 2335763130 CEKDRGXMAGRFDK-UHFFFAOYSA-N 308.337 -0.207 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CNC[C@H]1O 36267076 GWQLYEOKJIODDS-GHMZBOCLSA-N 315.351 -0.144 5 10 DBBE CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50678223 NTQAGLYPVNSEKG-ZETCQYMHSA-N 316.339 -0.020 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)CO 90281319 LLRLEEDAOXWQGB-MRVPVSSYSA-N 306.296 -0.765 5 10 DBBE COC(=O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131175544 KFOZWQSZHZWPTA-QMMMGPOBSA-N 322.270 -0.454 5 10 DBBE NNc1sc(S(=O)(=O)Nc2nccnn2)cc1[N+](=O)[O-] 163180885 WLYZBJPRIDJUAH-UHFFFAOYSA-N 317.312 -0.072 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCN2CC3)n1 191681967 LPZSELNMSKTZQR-JTQLQIEISA-N 308.342 -0.459 5 10 DBBE COc1ccc(CN2CCN(CC(N)=O)C(=O)C2)cc1[N+](=O)[O-] 459677202 AHJZRUWQOAJUTD-UHFFFAOYSA-N 322.321 -0.267 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1(CN)COC1 705640529 DHJVLNVHGLCSFY-UHFFFAOYSA-N 301.324 -0.091 5 10 DBBE Cc1nc(N)nc(NCCN(C)S(C)(=O)=O)c1[N+](=O)[O-] 822020339 PWWWLFVPJNQTMV-UHFFFAOYSA-N 304.332 -0.421 5 10 DBBE CCN(CCS(C)(=O)=O)C(=O)Cn1cnc([N+](=O)[O-])n1 1116368121 FRMVFDHVXMHTLE-UHFFFAOYSA-N 305.316 -0.921 5 10 DBBE CCNS(=O)(=O)[C@@H]1CCN(c2nn(C)cc2[N+](=O)[O-])C1 1185970171 VEMPTCHBRZRCPR-MRVPVSSYSA-N 303.344 -0.154 5 10 DBBE COc1ncccc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1283005383 VDGQSLPHTYEGCH-NXEZZACHSA-N 308.294 -0.399 5 10 DBBE O=C1CCC2=C(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)N1 1300723332 HKTYPJIPARVRDC-UHFFFAOYSA-N 306.282 -0.417 5 10 DBBE O=C(NCC1(N2CCOCC2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1528290103 XPHWZKQVPRUDSJ-VXGBXAGGSA-N 313.354 -0.351 5 10 DBBE O=C(NCCN1C(=O)CCC1=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1543770816 MFHXDTVOTWYMBA-ZDUSSCGKSA-N 321.289 -0.107 5 10 DBBE NC(=O)[C@H](C1CC1)N(CC1CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 1632430884 NUYJJSMYNBOGTM-NSHDSACASA-N 322.325 -0.311 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC2CN(c3ccncn3)C2)n1 1636093617 VBSIJPZLTFKUDS-UHFFFAOYSA-N 303.282 -0.263 5 10 DBBE CC(=O)N(C)CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703578837 PDYZBTVEJYLPBW-GHMZBOCLSA-N 314.342 -0.905 5 10 DBBE NC[C@H](CO)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2126187077 CEUFKDPGQPQTNB-ZCFIWIBFSA-N 309.731 -0.154 5 10 DBBE Nc1ccnc(N2CCC[C@@H]2CS(N)(=O)=O)c1[N+](=O)[O-] 2146425754 OLQRLBYUVMBYEN-SSDOTTSWSA-N 301.328 -0.171 5 10 DBBE O=C(O)C1(n2cnc([N+](=O)[O-])c2)CC2(C1)CS(=O)(=O)C2 2152032822 JOEOXFIGYVELFF-UHFFFAOYSA-N 301.280 -0.220 5 10 DBBE CN=c1[nH]c(NCC2(C)CS(=O)(=O)C2)ncc1[N+](=O)[O-] 2157669746 BNLMTDGZIZDEGS-UHFFFAOYSA-N 301.328 -0.305 5 10 DBBE O=C(O)[C@@H](NC(=O)N1CC([N+](=O)[O-])C1)[C@@H](O)C(F)(F)F 2280030668 DBUDVJQPXITJMD-CRCLSJGQSA-N 301.177 -0.967 5 10 DBBE CS(=O)(=O)N1CC[C@H](Oc2ccc(N)c([N+](=O)[O-])n2)C1 2285605221 ODIWZDVBXZESJI-ZETCQYMHSA-N 302.312 -0.015 5 10 DBBE NNc1sc(S(=O)(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] 157455700 PFEIWLFHWHKQHY-UHFFFAOYSA-N 321.340 -0.938 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1COC[C@@H]1O 323126715 OABOBYUJQJQVHT-SCZZXKLOSA-N 302.308 -0.059 5 10 DBBE NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC(n2ccnn2)C1 338687453 DOZCYKMOWNFVTE-UHFFFAOYSA-N 324.322 -0.105 5 10 DBBE COc1ccc([N+](=O)[O-])cc1CN1CCN(CC(N)=O)C(=O)C1 459696746 JUZBUHPZHPYZAO-UHFFFAOYSA-N 322.321 -0.267 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@@H]([C@@H]2CCCO2)C1 610687334 CDBBZBWDFRYVDV-VHSXEESVSA-N 311.298 -0.407 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCC(=O)N=S(C)(C)=O 1142753010 NJQKBECZRQRWLG-UHFFFAOYSA-N 303.300 -0.688 5 10 DBBE CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CS(=O)(=O)C1 1196973482 VBQDBIDYXPBMOQ-UHFFFAOYSA-N 301.324 -0.515 5 10 DBBE CCn1nncc1CNC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1274016506 NWUMJASTGHFWAL-OPVGQWETSA-N 308.342 -0.275 5 10 DBBE CS(=O)(=O)NC[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 1455492730 GZPSDRDJGWNGFF-SSDOTTSWSA-N 317.327 -0.671 5 10 DBBE CN(CCOCCNC(=O)C(C)(C)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1510181007 KVEUXIMHWRMLHJ-NXEZZACHSA-N 319.333 -0.009 5 10 DBBE C[C@@H](CN1CCCC1=O)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1542625933 HXQQAJIGYSHELO-JTQLQIEISA-N 322.321 -0.116 5 10 DBBE CC(C)(C(=O)N1C[C@@H](CO)[C@@H](CO)C1)n1cc([N+](=O)[O-])cn1 1636129296 FAZPJONBSNPCPT-AOOOYVTPSA-N 312.326 -0.414 5 10 DBBE CON(C)C(=O)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 1686836023 ZFPLLMDPZNZWRN-UHFFFAOYSA-N 300.275 -0.890 5 10 DBBE O=C(CCc1cnc[nH]1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1720825881 IVJCIQONGQSPAH-WRWGMCAJSA-N 321.337 -0.229 5 10 DBBE Cc1nnc(Cn2nc([N+](=O)[O-])c(S(N)(=O)=O)c2C)o1 2156811217 QHVRYNDUDVDBBG-UHFFFAOYSA-N 302.272 -0.513 5 10 DBBE NS(=O)(=O)c1ccc(NC[C@@H](O)C(=O)O)c([N+](=O)[O-])c1 2176871841 WDEMGGVEPZMUON-MRVPVSSYSA-N 305.268 -0.900 5 10 DBBE CO[C@H](CN)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2365426816 KCWUMXZZUQQWQM-SNVBAGLBSA-N 303.340 -0.012 5 10 DBBE CO[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 36264999 JGXQWBRHQQTFQS-SCZZXKLOSA-N 319.314 -0.001 5 10 DBBE C[C@H](NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-])c1nn[nH]n1 126958394 XWTQPJUJSDOUIY-YFKPBYRVSA-N 313.299 -0.270 5 10 DBBE COC(=O)CNC(=O)c1ccc(N2CC(CO)C2)c([N+](=O)[O-])c1 277052841 QJYRTPBNUCLBBF-UHFFFAOYSA-N 323.305 -0.074 5 10 DBBE Cn1cc([N+](=O)[O-])c(=NCCN2CCCCS2(=O)=O)[nH]1 405311279 DSLJXWREGITQDX-UHFFFAOYSA-N 303.344 -0.412 5 10 DBBE COC(=O)CNC(=O)Cn1c2c(cc([N+](=O)[O-])c1=O)CCCC2 583630281 SYYUQNHVCZHANM-UHFFFAOYSA-N 323.305 -0.076 5 10 DBBE CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1=O 593784629 SVCNFOMAXPKMFY-UHFFFAOYSA-N 309.326 -0.231 5 10 DBBE NS(=O)(=O)NC1CCN(c2ncc([N+](=O)[O-])s2)CC1 599175468 LEQFDBJRTYOYKM-UHFFFAOYSA-N 307.357 -0.187 5 10 DBBE C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1C(=O)O 600654220 UZLJPQGWPVVHIJ-SVRRBLITSA-N 318.311 -0.188 5 10 DBBE C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 849388750 WAJDKPIKVADXEL-QMMMGPOBSA-N 314.323 -0.159 5 10 DBBE CC(=O)NC[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 1320011124 PJNXOECMBFASMN-VIFPVBQESA-N 311.298 -0.695 5 10 DBBE CN(Cc1nccn1C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334953721 AOOWEGIIUSJRGN-UHFFFAOYSA-N 314.327 -0.118 5 10 DBBE NC(=O)C12CCC(CC1)N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1536997445 DTOZNHYASCDYQC-UHFFFAOYSA-N 320.305 -0.235 5 10 DBBE COCCOCCN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1731562712 FJZLPJHGPOIWNK-LBELIVKGSA-N 313.354 -0.639 5 10 DBBE CC(=O)NCCNC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 1859179047 WPXGTMGPGJEWCP-SECBINFHSA-N 322.321 -0.035 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NN2CCNCC2)ccc1O 2145593217 KARRVNICXZPCHA-UHFFFAOYSA-N 302.312 -0.601 5 10 DBBE CN(C[C@H]1CCS(=O)(=O)C1)c1ncnc(N)c1[N+](=O)[O-] 2148781834 HVOYJKCCLCOGAC-SSDOTTSWSA-N 301.328 -0.162 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H](O)CO)cc1F 2182234960 ILKDRMQWAAZAHR-ZETCQYMHSA-N 308.287 -0.245 5 10 DBBE O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1NC[C@@H](O)[C@@H]1O 2201148235 FSHRUCMRZSCBFM-BBBLOLIVSA-N 301.686 -0.120 5 10 DBBE O=[N+]([O-])c1c[nH]ccc1=NS(=O)(=O)C[C@@H]1CNCCO1 2202431834 FMTJSQXALRTXNN-QMMMGPOBSA-N 302.312 -0.858 5 10 DBBE C[C@@H](O)CN(CCN)S(=O)(=O)c1cncc([N+](=O)[O-])c1 2285469964 JPLALYQDHJXNCW-MRVPVSSYSA-N 304.328 -0.680 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 157128577 RXTAFIVTZJTNCQ-LURJTMIESA-N 317.327 -0.577 5 10 DBBE CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 593276320 RNZQVFILOMYIHB-MRVPVSSYSA-N 314.323 -0.247 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)n1 599247402 BPHFGUXTHDZINV-JGVFFNPUSA-N 302.312 -0.456 5 10 DBBE NNc1cc(N2CC[C@@H](S(N)(=O)=O)C2)cc([N+](=O)[O-])c1 707418706 SWHJPEMYWXMLPM-SNVBAGLBSA-N 301.328 -0.252 5 10 DBBE CCOC(=O)N1CCN(C(=O)Cn2ncc([N+](=O)[O-])n2)CC1 863374506 AXQNDELNYMOSBY-UHFFFAOYSA-N 312.286 -0.513 5 10 DBBE O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(C[C@H](O)CNC2=O)C1 1154867988 WYKTXPROPRZQAY-NSHDSACASA-N 321.289 -0.377 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCC(NS(N)(=O)=O)CC2)n1 1187280223 KMEDYJGASNPRKJ-UHFFFAOYSA-N 304.332 -0.910 5 10 DBBE C[C@H]1OCC[C@@]1(O)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1618088636 AVLLRDRBALRSRN-NOZJJQNGSA-N 311.294 -0.587 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC(O)(c2nccn2C)C1 1633060494 KNLXZQFRPIDSFI-UHFFFAOYSA-N 320.309 -0.437 5 10 DBBE C[C@H](CS(=O)(=O)N(C)C)N=c1ccc([N+](=O)[O-])c(N)[nH]1 2151098213 MJXFORPDOIVYKM-SSDOTTSWSA-N 303.344 -0.314 5 10 DBBE COc1nc(OC[C@H]2CCS(=O)(=O)N2)ncc1[N+](=O)[O-] 2157682318 PMFFVYNCVMNNBK-ZCFIWIBFSA-N 304.284 -0.536 5 10 DBBE CN(CC1(S(C)(=O)=O)CC1)c1ncc([N+](=O)[O-])c(=N)[nH]1 2167833739 UORJXEPSPZMMES-UHFFFAOYSA-N 301.328 -0.189 5 10 DBBE NNc1cccc(N[C@H]2CS(=O)(=O)C[C@H]2O)c1[N+](=O)[O-] 2177964279 XWYJLTZTRRJPBS-DTWKUNHWSA-N 302.312 -0.550 5 10 DBBE COc1ccc(S(=O)(=O)N2CC([N+](=O)[O-])C2)cc1CO 2191531262 VAMALSCMIQZVQN-UHFFFAOYSA-N 302.308 -0.163 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1NC[C@@H](O)[C@H]1O 2201148847 JLIXTXLGPKIOHT-OPRDCNLKSA-N 301.686 -0.120 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC2CS(=O)(=O)C2)ccc1F 2232798838 NHYYGVUKFZPSEI-UHFFFAOYSA-N 324.311 -0.191 5 10 DBBE C[C@H](CO)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 122570258 ATKWBXXLOJNDBR-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE CC[C@H](CO)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 179412305 AMNKUVFQZKPPTA-LLVKDONJSA-N 311.342 -0.294 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)ccc1O 236532129 FDFAWEAPPOXYKI-NXEZZACHSA-N 304.280 -0.974 5 10 DBBE CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 323056535 ISHVPBFZZGMULV-UHFFFAOYSA-N 322.369 -0.109 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC[C@H]1[C@H]1CCCO1 341871709 CJNMOVMXNSTKLY-VHSXEESVSA-N 311.298 -0.407 5 10 DBBE COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 592918954 KXPIDXRJPRYUPU-WCBMZHEXSA-N 309.278 -0.014 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2cncn2)nc1 593529098 VKKISDRWHQBLNP-UHFFFAOYSA-N 312.311 -0.050 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 598027011 IHWKQEHVHFAGLB-UWVGGRQHSA-N 315.307 -0.468 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1Cc2cncn2C1 598945259 YBCAZTKOJVJKOT-VIFPVBQESA-N 303.278 -0.306 5 10 DBBE C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](O)CO 698918002 HPBYERIDFLHWCU-GZMMTYOYSA-N 304.324 -0.244 5 10 DBBE Cn1ccc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1 859088313 LCCRLWUBRZLGGZ-UHFFFAOYSA-N 300.300 -0.460 5 10 DBBE CC(=O)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1135563391 VIPOMOSQLIWNRO-UHFFFAOYSA-N 308.294 -0.553 5 10 DBBE CN(CCCNC(=O)CC(N)=O)Cc1c([N+](=O)[O-])ncn1C 1265817619 VFZBSKJLRPFVGT-UHFFFAOYSA-N 312.330 -0.858 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)C(=O)OC)n1 1296146253 NDMMCCQEKQRKBO-NSHDSACASA-N 300.271 -0.535 5 10 DBBE CCN(CCNC(=O)CCc1cnn[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296379642 GKVQZKQJIUZUCN-GHMZBOCLSA-N 324.341 -0.633 5 10 DBBE Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 1298210449 USVSRPQORBNAAX-KNVOCYPGSA-N 322.252 -0.339 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)c1nncn1C 1301184013 WHISBWIQYWFWFS-JTQLQIEISA-N 306.282 -0.110 5 10 DBBE CNC[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1348110672 LDFOMOFICFXTAR-QMMMGPOBSA-N 303.344 -0.442 5 10 DBBE CCC(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1522040323 NQKPATANYSBVFH-GHMZBOCLSA-N 322.325 -0.647 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@H](C)S(C)(=O)=O)c1 1559359844 WJODCGSZTSPFMT-ZETCQYMHSA-N 318.307 -0.024 5 10 DBBE COC[C@@H](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)OC 1632776018 UIRNFGPAJPXMJA-SNVBAGLBSA-N 313.310 -0.076 5 10 DBBE CNS(=O)(=O)[C@@H]1CCCN(c2nn(C)cc2[N+](=O)[O-])C1 1642258669 POQCECAZGSJTPC-MRVPVSSYSA-N 303.344 -0.154 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N=[S@]1(=O)CC[C@@H](CN)C1 2186535115 NUYGGPQRKIZYLT-JKNYTWMOSA-N 301.328 -0.085 5 10 DBBE Cc1ncc([N+](=O)[O-])c(=NCCNS(=O)(=O)C2CC2)[nH]1 2286612138 PEFMFGUXBROJLF-UHFFFAOYSA-N 301.328 -0.391 5 10 DBBE CCc1ncc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@H]2N)n1 2286673264 DPKOTLHPGWJJRU-HTRCEHHLSA-N 302.312 -0.550 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50674400 TXZOHVKFSFTONO-ZCFIWIBFSA-N 302.312 -0.410 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@](C)(O)CO 90287730 XMRQECCDAAPABB-LLVKDONJSA-N 304.324 -0.075 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)CCO)cc1F 131182756 PAINUWTWZZVEID-UHFFFAOYSA-N 308.287 -0.291 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1COC2(CCCC2)O1 773693239 GQDQPNGZBYXRNB-VIFPVBQESA-N 311.298 -0.012 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2COCCO2)n1 858913530 ICBNLNQLXXAMPS-SSDOTTSWSA-N 306.300 -0.978 5 10 DBBE CNC(=O)Cn1nc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1C 1266914970 HFFXNURITLGUAS-UHFFFAOYSA-N 321.297 -0.168 5 10 DBBE Cc1ncoc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1271281690 DVARASZTRYHFLY-NXEZZACHSA-N 310.310 -0.689 5 10 DBBE Cc1[nH]nc(C(=O)N2CCN([S@](C)(=N)=O)CC2)c1[N+](=O)[O-] 1455496669 CKOOUVBMKORYKZ-NRFANRHFSA-N 316.343 -0.024 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 1472184011 AXCJYJGWCRKGDV-SNVBAGLBSA-N 320.298 -0.131 5 10 DBBE CN(CCNC(=O)Cc1cnc[nH]1)Cc1c([N+](=O)[O-])ncn1C 1492432081 YZCZBYUHQDQYSO-UHFFFAOYSA-N 321.341 -0.158 5 10 DBBE COc1ccc([N+](=O)[O-])cc1CNC(=O)CCNC(=O)CO 1637127000 PZEFURSHAZPMBV-UHFFFAOYSA-N 311.294 -0.282 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnsn1 1738460144 YVDGVLBXHDQJNW-LLKUCEORSA-N 311.323 -0.395 5 10 DBBE NCc1cc([N+](=O)[O-])ccc1O[C@H]1CS(=O)(=O)C[C@H]1O 37709996 NGZITWTZBVCIFH-KOLCDFICSA-N 302.308 -0.410 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2(O)CCSC2)n1 599248796 PFTLQZUOTPCONY-SECBINFHSA-N 322.368 -0.525 5 10 DBBE CN(C)CCOCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599274987 JFCVUPPNQSYMOP-UHFFFAOYSA-N 321.359 -0.815 5 10 DBBE Nc1ncnc(NCC2(S(N)(=O)=O)CCC2)c1[N+](=O)[O-] 721514737 BKEPVOWELSZGQZ-UHFFFAOYSA-N 302.316 -0.410 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCN(C(N)=O)C1 1136660739 CGSFBOOJYSXHSE-VIFPVBQESA-N 310.314 -0.241 5 10 DBBE CCOC(=O)CC1(NC(=O)c2c([N+](=O)[O-])cnn2C)COC1 1456772014 TZOIPSMFXAJFEH-UHFFFAOYSA-N 312.282 -0.220 5 10 DBBE CCCN(CCNC(=O)c1cnon1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581411594 CCFAINLPCTVCPJ-PSASIEDQSA-N 311.298 -0.297 5 10 DBBE CNC(=O)NC[C@H]1COCCN1CCn1ccc([N+](=O)[O-])n1 1659899375 XSFHWAXNVUMRMH-JTQLQIEISA-N 312.330 -0.579 5 10 DBBE NS(=O)(=O)NCCCN=c1c(Cl)c[nH]cc1[N+](=O)[O-] 2101332705 VTYOKJPWZLNDLD-UHFFFAOYSA-N 309.735 -0.340 5 10 DBBE O=[N+]([O-])c1ccc(CO)cc1O[C@H]1CS(=O)(=O)C[C@@H]1O 50517804 GOSKYPUSFBTUMG-ONGXEEELSA-N 303.292 -0.376 5 10 DBBE CNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N[C@@H](C)C(N)=O 50656905 DJXGYWICHUYXMS-YFKPBYRVSA-N 320.302 -0.072 5 10 DBBE O=C(O)[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 90364141 CBIMJBLUCCPYIR-HTQZYQBOSA-N 317.279 -0.632 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H](CO)C2)cn1 167697270 ZKNLHQVHRMENCI-MRVPVSSYSA-N 303.296 -0.628 5 10 DBBE C[C@@H](O)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1 356890502 DEILHVBZMBMIIN-NXEZZACHSA-N 312.330 -0.900 5 10 DBBE O=C(NC[C@]12COCCN1C(=O)OC2)c1cc([N+](=O)[O-])n[nH]1 1152193652 DISBCFPKFVAATD-LLVKDONJSA-N 311.254 -0.731 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCc3nc(N)ncc3C2)n1 1256227011 LVCLIBXSDZFWFX-UHFFFAOYSA-N 303.282 -0.101 5 10 DBBE O=C(CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCC1 1483733090 SGNBMWSNFBCBIH-VXGBXAGGSA-N 324.381 -0.051 5 10 DBBE CC(C)(CCC(=O)NCc1nnc2n1CCNC2=O)[N+](=O)[O-] 1625211149 MBWLHZJMFPFWRO-UHFFFAOYSA-N 310.314 -0.527 5 10 DBBE O=C(CCc1ccon1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1745893897 FAOKCXVGJRHFNU-GHMZBOCLSA-N 308.294 -0.401 5 10 DBBE C[S@@](=O)(=Nc1ncc([N+](=O)[O-])c(=N)[nH]1)N1CCNCC1 2173821446 VKCCJDLGWFCDAX-HXUWFJFHSA-N 301.332 -0.653 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(CO)COC1 2189263778 IAADOVIIXAOYBJ-UHFFFAOYSA-N 302.308 -0.057 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCS(=O)(=O)[C@@H](C(=O)O)C2)n1 2197721940 MMUKGMFBEBCKSZ-SSDOTTSWSA-N 304.284 -0.984 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CC[C@](O)(CO)[C@H](O)C1 2234093259 SKWITNIPZXNVEO-KOLCDFICSA-N 304.324 -0.557 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1N1CC[C@@](O)(CO)[C@@H](O)C1 2234100838 NEIWWFKCOUAZIY-GZMMTYOYSA-N 303.702 -0.062 5 10 DBBE COCCS(=O)(=O)CCN=c1[nH]c(C)ncc1[N+](=O)[O-] 2286630377 JZELLCZTQWPYLO-UHFFFAOYSA-N 304.328 -0.412 5 10 DBBE O=[N+]([O-])c1ccccc1S[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 106384555 SZAOZNVCHHBUDZ-KDQWQRHNSA-N 317.319 -0.513 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 158492471 GGLRQEKVJMXRIY-LJQANCHMSA-N 322.368 -0.463 5 10 DBBE NC(=O)CN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1=O 459681208 DHCDVOBEWWJKHJ-UHFFFAOYSA-N 308.294 -0.570 5 10 DBBE CC[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1O 599269480 TWEJVWRXOVCIFK-CBAPKCEASA-N 304.328 -0.280 5 10 DBBE O=[N+]([O-])c1cnc(F)nc1NCCN1CCCS1(=O)=O 689071750 QNFJKZIJQIXVFQ-UHFFFAOYSA-N 305.291 -0.029 5 10 DBBE CC(C)(CNC(=O)Cn1ncc([N+](=O)[O-])n1)N1CCOCC1 863374887 YXNGZJVTSJXBED-UHFFFAOYSA-N 312.330 -0.587 5 10 DBBE Cc1nc(N2CCN(C(=O)CN(C)C)CC2)ncc1[N+](=O)[O-] 1162067998 DQRGMKGZWLRPQX-UHFFFAOYSA-N 308.342 -0.097 5 10 DBBE O=C1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2ccncc2N1 1318924235 UMOIHYNHJXBMBG-UHFFFAOYSA-N 303.238 -0.433 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1326294881 FHTDGSCEXIRCFO-NSHDSACASA-N 316.339 -0.278 5 10 DBBE O=C(CCn1ccnc1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1356823999 VOEYUKGFFUPTGD-VXGBXAGGSA-N 321.337 -0.487 5 10 DBBE CN(CCOCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1CC1 1573401980 QJHKNMHJZMPKPO-VXGBXAGGSA-N 313.354 -0.005 5 10 DBBE Cn1nnc(CN(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)n1 1707477998 KZJRMOXPGNTKOX-GHMZBOCLSA-N 323.357 -0.654 5 10 DBBE CS(=O)(=O)N(CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 1858002380 FGSPIFILQZYQCU-NSHDSACASA-N 304.324 -0.118 5 10 DBBE CN(C)c1ccc(C(=O)N[C@@H](CC(N)=O)C(=O)O)cc1[N+](=O)[O-] 1859457173 CKQCDZHFUITAHC-QMMMGPOBSA-N 324.293 -0.281 5 10 DBBE N=c1cc([N+](=O)[O-])cc(N2CCC[C@H]2CS(N)(=O)=O)[nH]1 2146416301 IGFXAEPVONOEOT-ZETCQYMHSA-N 301.328 -0.340 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@H](O)C[C@@H](O)C2)cc1[N+](=O)[O-] 2161357969 VGWOSQDPMGUPCA-PHDIDXHHSA-N 323.352 -0.645 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNCC2[C@@H]3CS(=O)(=O)C[C@@H]23)n1 2174705298 UAUOMQFEDRNALX-IUCAKERBSA-N 300.340 -0.292 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1CC2(C1)OC[C@@H](O)[C@@H]2O 2183729730 XKZRGISBSQXBDK-APPZFPTMSA-N 300.292 -0.397 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1N=c1c(Cl)c[nH]cc1[N+](=O)[O-] 2192681555 VMOANSOZRWQGRA-VXNVDRBHSA-N 320.758 -0.138 5 10 DBBE O=[N+]([O-])c1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 17044328 IXFOBQXJWRLXMD-LDMBFOFVSA-N 317.319 -0.513 5 10 DBBE COc1ccc([C@H](O)CN(CCO)CCO)cc1[N+](=O)[O-] 62356357 CFEYXQGEYRSEJH-GFCCVEGCSA-N 300.311 -0.077 5 10 DBBE CN(C[C@H](O)CN)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 313613979 XOANMAGKLNEAJX-SNVBAGLBSA-N 303.340 -0.324 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)NCCF 593591458 JATFVHPVYKWVLE-SSDOTTSWSA-N 320.302 -0.258 5 10 DBBE CN(c1ncnc(N)c1[N+](=O)[O-])C1CCS(=O)(=O)CC1 694196336 QEGVORNPNNWJDL-UHFFFAOYSA-N 301.328 -0.020 5 10 DBBE NNc1sc(S(=O)(=O)N[C@H]2CCNC2=O)cc1[N+](=O)[O-] 822123693 BEUYTBLSNQWKBL-BYPYZUCNSA-N 321.340 -0.891 5 10 DBBE O=C(NC/C=C/CNCc1nnnn1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1321058263 WLFVAGVDBOORSG-COUIAZAYSA-N 321.341 -0.565 5 10 DBBE Cn1ncc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)n1 1326821795 IKSZZIVQXSNQQY-GHMZBOCLSA-N 308.342 -0.391 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 1587348038 IMJYPEGMDIXANC-DDBMDHPHSA-N 322.277 -0.013 5 10 DBBE Cc1cnn(C)c1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1747841381 VKXBALRQAZLFIX-NXEZZACHSA-N 321.337 -0.228 5 10 DBBE CN(CCCNC(=O)c1ccnnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758460999 DPKPCERYJCCDFU-GHMZBOCLSA-N 307.310 -0.280 5 10 DBBE Cn1c(C(=O)NC2CN(c3cnccn3)C2)cnc1[N+](=O)[O-] 1891048460 BVRXKXABSGCCMN-UHFFFAOYSA-N 303.282 -0.263 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CONC1=O 2148979887 CGFZXQRWOKHPPP-ZETCQYMHSA-N 301.280 -0.388 5 10 DBBE C[C@@H]1C[C@](C(=O)O)(n2cnc([N+](=O)[O-])n2)CCS1(=O)=O 2151692215 PHIXBPHWVBYBSI-HZGVNTEJSA-N 304.284 -0.437 5 10 DBBE CNC1CN(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)C1 2159021821 BDXOHQALSUKPTC-UHFFFAOYSA-N 300.340 -0.167 5 10 DBBE O=[N+]([O-])c1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)c(F)c1 2176896955 FYPXBUPQQPRPJG-QWRGUYRKSA-N 304.299 -0.019 5 10 DBBE NC(=O)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50660264 HKDNHAHLVOFNMB-UHFFFAOYSA-N 302.312 -0.279 5 10 DBBE COC(=O)[C@H](CO)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] 138087674 LJYOYROTNHPMLU-QMMMGPOBSA-N 318.307 -0.056 5 10 DBBE CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594761994 SZZDBHSALYQSKG-MRVPVSSYSA-N 316.339 -0.008 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(OCCO)CCOC1 596454281 SHFSYZZPCCLTEX-CYBMUJFWSA-N 313.310 -0.169 5 10 DBBE CN1CCC[C@@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599228843 KBKWOEZHSZSOIW-VIFPVBQESA-N 317.371 -0.052 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2CO)cc1 698138027 KASSNDONILSWNI-UWVGGRQHSA-N 302.308 -0.289 5 10 DBBE C[C@@](O)(CO)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 801974711 CRSHSCNRZFCFJR-ZDUSSCGKSA-N 312.278 -0.354 5 10 DBBE CC[C@H](CNS(C)(=O)=O)NC(=O)Cn1ccc([N+](=O)[O-])n1 1129021280 JREQEANUKUVTPB-MRVPVSSYSA-N 319.343 -0.765 5 10 DBBE CN(CCNCc1ccn(C)c(=O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1267371352 KNXKWFUIXUNSLW-VXGBXAGGSA-N 308.338 -0.402 5 10 DBBE CCO[C@H](CC)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331541237 KYLQIILOAFBZSJ-MRVPVSSYSA-N 320.327 -0.052 5 10 DBBE COC1(OC)CCOC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 1453773750 ZTCHWHNAUGXUMC-MRVPVSSYSA-N 300.271 -0.174 5 10 DBBE O=C(N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@]1(O)CCOC1 1468737030 MCAKTPBFIONCHF-CQSZACIVSA-N 322.321 -0.210 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCc1ncnn1C 1469457037 IXLXZRBVNLSILQ-UHFFFAOYSA-N 307.314 -0.023 5 10 DBBE CCC(=O)NCC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1492350060 YJNHOWVLWPIRGT-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE NC(=O)NCCC(=O)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 1494493140 MTQBRVYQJAZQFZ-UHFFFAOYSA-N 321.337 -0.046 5 10 DBBE Nc1ncc(C(=O)N[C@H](CO)CN2CCCC2)cc1[N+](=O)[O-] 1625505512 NLYUBVXAKVWHNK-JTQLQIEISA-N 309.326 -0.242 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCCN1CCC(O)CC1 1634343164 DQTNQCYNVGVOJZ-UHFFFAOYSA-N 312.330 -0.851 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCN1CCCC1=O 1639905130 YUXIEAVIUQSLEH-UHFFFAOYSA-N 308.294 -0.505 5 10 DBBE COC(=O)C1(O)CN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 1643301535 ZFUUQHJMIDIRRH-UHFFFAOYSA-N 324.289 -0.108 5 10 DBBE CS(=O)(=O)C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 1652923509 YKUCCGVSWWBEKU-SSDOTTSWSA-N 318.311 -0.797 5 10 DBBE O=C(N[C@H]1C[C@@H](NCCCN2CCCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1713192610 RTHGVGFMTZBHCL-YVECIDJPSA-N 324.381 -0.099 5 10 DBBE Cc1nn(C)c(C)c1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721079725 YJLWCTBLMIXCMS-GHMZBOCLSA-N 323.353 -0.110 5 10 DBBE CS(=O)(=O)CC[S@](=O)CC(=O)c1cc([N+](=O)[O-])c[nH]1 2089656685 DGNMNDWJHVJDJZ-SFHVURJKSA-N 308.337 -0.101 5 10 DBBE N=c1nc(N2CCC[C@H]2CS(N)(=O)=O)c([N+](=O)[O-])c[nH]1 2146419292 PZMVLZSDHOCERN-LURJTMIESA-N 302.316 -0.945 5 10 DBBE NNc1cccc(S(=O)(=O)N2CC[C@H]2CO)c1[N+](=O)[O-] 2148958573 ONNRQCUKAWUDKF-ZETCQYMHSA-N 302.312 -0.364 5 10 DBBE NCCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2152160853 FWHLSIUUVYAQPH-UHFFFAOYSA-N 307.303 -0.324 5 10 DBBE CCc1nc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)no1 2156818101 QZRMSHKGYFFOJB-UHFFFAOYSA-N 302.272 -0.568 5 10 DBBE CS(=O)(=O)c1cccc(N[C@@H](CO)C(=O)O)c1[N+](=O)[O-] 2175195302 IPFJFHUOPGOJHX-ZETCQYMHSA-N 304.280 -0.144 5 10 DBBE C[C@H]1[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 2182525081 YZKBZUHAEXBXQD-WKEGUHRASA-N 302.312 -0.366 5 10 DBBE NS(=O)(=O)c1cn(CC2(F)CCOCC2)nc1[N+](=O)[O-] 2238261802 SPYNVLQWDMABFP-UHFFFAOYSA-N 308.291 -0.043 5 10 DBBE C[C@@H](Cn1cncn1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 354407321 RPRREQWNKNCHOK-VIFPVBQESA-N 306.282 -0.447 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)NC1COCCOC1 589924326 KSSAOAJEXFPBQD-UHFFFAOYSA-N 303.296 -0.317 5 10 DBBE C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593587737 XWNUILONTRBLMC-KCJUWKMLSA-N 317.323 -0.192 5 10 DBBE CNc1cc([N+](=O)[O-])cc(N2CC(NS(C)(=O)=O)C2)n1 703122008 SYIDPNDLWHIQBI-UHFFFAOYSA-N 301.328 -0.231 5 10 DBBE CCN(CC(=O)OC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 858941327 UPZDDWWPCVSDKU-UHFFFAOYSA-N 306.300 -0.488 5 10 DBBE NC(=O)CNC[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1271765156 UGJFUUOBLFRJOH-DDHJBXDOSA-N 312.370 -0.351 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(N2CC[C@H](O)C2)CC1 1331280269 RAHUDFXVVGUXBT-ZDUSSCGKSA-N 323.353 -0.151 5 10 DBBE CC(C)N(C)CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1498539829 AQRBYDUMRMVASX-VXGBXAGGSA-N 312.370 -0.434 5 10 DBBE CNC(=O)Cn1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cn1 1543231093 JHODKRVZQZWOFM-UHFFFAOYSA-N 307.270 -0.477 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCO[C@H](Cn2ccnn2)C1 1640909386 UPDZERRUKNPDBB-QMMMGPOBSA-N 307.270 -0.549 5 10 DBBE CN(CCNC(=O)c1cnccn1)Cc1c([N+](=O)[O-])ncn1C 1731762719 ZDWUFCZCTHIYQQ-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE CCn1nccc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1747783197 NTXAANOXURNKBF-MWLCHTKSSA-N 321.337 -0.053 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CCS(=O)(=O)CCN1 2106514999 KJCJVHXJAFCRHG-UHFFFAOYSA-N 307.719 -0.222 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(N2CC(CS(C)(=O)=O)C2)[nH]1 2159454645 QYURAQFZMFCFIU-UHFFFAOYSA-N 300.340 -0.066 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](O)[C@H](O)C1 2188677334 FHMFMSOJRGGTGO-NXEZZACHSA-N 302.308 -0.289 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CC[C@](O)(CO)[C@H](O)C1 2234095243 DXLHYNCMJCOCBF-KCJUWKMLSA-N 302.308 -0.414 5 10 DBBE O=[N+]([O-])c1cncc(Cl)c1N1CC[C@](O)(CO)[C@H](O)C1 2234107168 PPOIXYIYVSQNMM-KOLCDFICSA-N 303.702 -0.062 5 10 DBBE CCCS(=O)(=O)N(C)Nc1nc(=NC)[nH]cc1[N+](=O)[O-] 2365262453 NWMRGEFUEUNTPX-UHFFFAOYSA-N 304.332 -0.153 5 10 DBBE CO[C@H]1CNC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 36265015 UTDYZHLLCWSVLC-SCZZXKLOSA-N 301.324 -0.140 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC(N)=O 36747680 OMPUBLYUGNMALI-UHFFFAOYSA-N 303.300 -0.966 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 50101839 IYECIBRFGQVQFZ-GMSGAONNSA-N 318.307 -0.152 5 10 DBBE Nc1ncc(S(=O)(=O)NCCCC(=O)O)cc1[N+](=O)[O-] 62431280 GYQAFQPXQIYDOF-UHFFFAOYSA-N 304.284 -0.285 5 10 DBBE CN1C[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)NC1=O 597576568 VSNNRMLVZVXZHH-SNVBAGLBSA-N 322.325 -0.022 5 10 DBBE O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CCNC1=O 598856129 UQGHRURYCOZHRG-QMMMGPOBSA-N 320.261 -0.493 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](O)[C@@H](C)O 717403430 WNMPCMVYHWBUNJ-SCZZXKLOSA-N 304.324 -0.077 5 10 DBBE O=[N+]([O-])c1sc(N2CC(CO)C2)nc1N1CC(CO)C1 1116765328 LGMGQYJMYRXPPS-UHFFFAOYSA-N 300.340 -0.092 5 10 DBBE O=C(NCc1nnc2n1CCNC2=O)c1cccc([N+](=O)[O-])c1 1133176635 GCDVDSWEENCBNC-UHFFFAOYSA-N 316.277 -0.140 5 10 DBBE COc1ccc(C(=O)N2CC(=O)NCC23COC3)cc1[N+](=O)[O-] 1288524045 YWMJPLCNSIRCOY-UHFFFAOYSA-N 321.289 -0.056 5 10 DBBE O=C1C[C@]2(CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CN1 1322285533 CIZBSDANNLTDAO-DGCLKSJQSA-N 309.326 -0.636 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCCN1CCCC1=O 1463822574 NLDQPMRVAHFPIR-UHFFFAOYSA-N 322.321 -0.115 5 10 DBBE CN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](CO)C1 1634202237 FMALSONDLWWSDW-STQMWFEESA-N 309.322 -0.237 5 10 DBBE CNS(=O)(=O)C[C@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-] 1644903826 CKYANYVLHHLXQU-SNVBAGLBSA-N 317.371 -0.158 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC(CO)(CO)C1 1652229653 WQMRYRBCCWNHCW-UHFFFAOYSA-N 316.335 -0.211 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccnnc1 1705299479 FKZPOHIDLANBEX-NXEZZACHSA-N 305.294 -0.480 5 10 DBBE N[C@@H]1COC[C@@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2149988418 QBEMYSFYKOTQCM-APPZFPTMSA-N 302.312 -0.620 5 10 DBBE O=C(O)C1(n2ccc([N+](=O)[O-])n2)CC2(C1)CS(=O)(=O)C2 2152032368 DLSXHKTWQJKQBB-UHFFFAOYSA-N 301.280 -0.220 5 10 DBBE C[C@](N)(CO)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2181129901 RBANUHBJUYXXAW-SNVBAGLBSA-N 307.303 -0.278 5 10 DBBE O=[N+]([O-])c1cc(Cl)cnc1N1CC2(C1)OC[C@@H](O)[C@H]2O 2183728001 MNANXZJZEDXLTR-RKDXNWHRSA-N 301.686 -0.046 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1Nc1[nH]c(=N)ccc1[N+](=O)[O-] 2207460660 QKLQXGFKTAZMBD-XPUUQOCRSA-N 302.312 -0.374 5 10 DBBE NCC1(Oc2ccc([N+](=O)[O-])c(N)c2F)CS(=O)(=O)C1 2283095754 RXOWZMFECUVBRN-UHFFFAOYSA-N 305.287 -0.179 5 10 DBBE C[C@@H](O)CN(CCN)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2285346964 HALRSNYLEIXWID-MRVPVSSYSA-N 304.328 -0.680 5 10 DBBE Nc1cc(S(=O)(=O)N(CCO)CCO)ccc1[N+](=O)[O-] 132063309 XGXXMFUSWRORCP-UHFFFAOYSA-N 305.312 -0.848 5 10 DBBE COC(=O)CN(CC(=O)OC)C(=O)c1ccc([N+](=O)[O-])cn1 531883074 BKKBDHYRZNJLBB-UHFFFAOYSA-N 311.250 -0.222 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 596432558 HBIGJFIEFDXTMI-JGVFFNPUSA-N 302.312 -0.204 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[C@@H](CN)C2)n1 599109085 RPZRYNRZMUZCRZ-SFYZADRCSA-N 303.344 -0.266 5 10 DBBE CS(=O)(=O)NC[C@H]1COCCN1c1ccc([N+](=O)[O-])cn1 599186040 XWTWZZMEBYCEAU-JTQLQIEISA-N 316.339 -0.256 5 10 DBBE CNC(=O)C(C)(C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599265599 GDWVOYFUNYXDEH-UHFFFAOYSA-N 319.343 -0.621 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 599287919 KWNQNIWWSPTFAZ-QMMMGPOBSA-N 306.300 -0.678 5 10 DBBE C[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600655027 GJJHRWIINGYHAW-RNFRBKRXSA-N 318.311 -0.188 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNC[C@H]2O)cc1F 699963822 XEOMURBFFXXVGN-WCBMZHEXSA-N 305.287 -0.655 5 10 DBBE C[C@H](Cc1cn(C)nn1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1176840884 LKXWSUZTQWKDQB-SECBINFHSA-N 320.309 -0.368 5 10 DBBE O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1=CCCC1 1280553362 VJOJBGAZXCOWTA-VXGBXAGGSA-N 323.349 -0.159 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NCC[C@H]1CCCS1(=O)=O 1438913895 GOMJOZVYNQTWOW-SNVBAGLBSA-N 316.339 -0.125 5 10 DBBE CN1CCO[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1=O 1628763419 GHAAAFWJZSNJPS-GFCCVEGCSA-N 322.321 -0.020 5 10 DBBE CN(C)C[C@@]1(O)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 1640295634 BKFQZKDSLIUUDC-ZDUSSCGKSA-N 309.326 -0.409 5 10 DBBE C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)N1CCO 1640853429 RJWVHYXRKOFMQO-AOOOYVTPSA-N 311.342 -0.145 5 10 DBBE O=C1NC(=O)C2(CN(c3cc(F)c([N+](=O)[O-])cc3CO)C2)N1 1652324077 ZLPIXNQUFFFGAX-UHFFFAOYSA-N 310.241 -0.376 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCS(=O)(=O)CCO1 1653854456 VXNOMUFJTCWQAC-UHFFFAOYSA-N 304.284 -0.870 5 10 DBBE O=C(O)c1cc([N+](=O)[O-])ccc1NC(=O)[C@H](O)[C@@H](O)C(=O)O 1865946076 OXFUMWISYYEUTL-HTQZYQBOSA-N 314.206 -0.962 5 10 DBBE CCOC(=O)[C@@H](O)Cn1nc([N+](=O)[O-])nc1Br 1940165844 OGCRMSPMCGRXDB-BYPYZUCNSA-N 309.076 -0.127 5 10 DBBE O=C1NOC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 2148981682 OHTJAFSQGVNBNS-ZETCQYMHSA-N 321.698 -0.044 5 10 DBBE O=C(O)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)O1 2153376568 XMFIRIVNYQWVEK-ZETCQYMHSA-N 303.252 -0.231 5 10 DBBE O=[N+]([O-])c1cnc(F)[nH]c1=NCCNS(=O)(=O)C(F)F 2159525414 TXAIQMHPRBJIIW-UHFFFAOYSA-N 315.233 -0.500 5 10 DBBE NS(=O)(=O)c1ccc(N2CC[C@@H]2C(=O)O)c([N+](=O)[O-])c1 2160919955 NCUQCIYOPVILMC-MRVPVSSYSA-N 301.280 -0.095 5 10 DBBE CN(C)S(=O)(=O)C1CN(c2ccc([N+](=O)[O-])c(N)n2)C1 2187314888 SNYPLRJQYBBTCN-UHFFFAOYSA-N 301.328 -0.348 5 10 DBBE CCNc1ccc(S(=O)(=O)NCC(N)=O)c([N+](=O)[O-])c1 50638675 VIEYGARWFGQPKA-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1COCCO1 50662524 MAWFDQLIAOKIRZ-VIFPVBQESA-N 317.323 -0.129 5 10 DBBE NS(=O)(=O)CCS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] 70214130 QAROLIIXGJAZRV-UHFFFAOYSA-N 312.300 -0.204 5 10 DBBE O=C(O)[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 90262933 GEKVVYAHDACERQ-SSDOTTSWSA-N 324.698 -0.028 5 10 DBBE CC(=O)N[C@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594785228 LMPDTXZWHLPXBS-VIFPVBQESA-N 314.323 -0.111 5 10 DBBE COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594797483 YAZBLEJWTJOLLT-DTWKUNHWSA-N 317.323 -0.240 5 10 DBBE CO[C@@H](C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 861327142 UODMSMLUDDDMDH-MRVPVSSYSA-N 318.311 -0.442 5 10 DBBE Cc1nc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)co1 1276051134 ZJXJKPDWQNHISP-VXGBXAGGSA-N 324.337 -0.299 5 10 DBBE CC(C)(C)S(=O)(=O)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 1338998394 IBERRIMXTRNAPI-UHFFFAOYSA-N 319.343 -0.484 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCS(=O)(=O)C1 1441054820 XSOTWMYEMHHGDL-ZETCQYMHSA-N 302.312 -0.507 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ncccn1 1585133955 TZZNXVQGANYPHV-RKDXNWHRSA-N 305.294 -0.480 5 10 DBBE COC1(OC)CCOC[C@@H]1NC(=O)c1c([N+](=O)[O-])cnn1C 1629922071 DEGFQGHKOZWSLU-VIFPVBQESA-N 314.298 -0.164 5 10 DBBE O=[N+]([O-])c1ccn(CCN2CCS(=O)(=O)C[C@H]2CCO)n1 1648382515 POOJZEDGOVAWIP-SNVBAGLBSA-N 318.355 -0.727 5 10 DBBE COC(=O)CNC(=O)[C@H]1CCCN1c1ncc([N+](=O)[O-])cn1 1655590611 COKLMAOXCAVLJD-SECBINFHSA-N 309.282 -0.357 5 10 DBBE COCCNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1699883784 YZVQDYABCVHCBF-GHMZBOCLSA-N 301.343 -0.447 5 10 DBBE Cc1nc(C)c(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 1704203370 RAUZGIOKAMEDPM-NXEZZACHSA-N 309.326 -0.120 5 10 DBBE CN(CCCNC(=O)c1cn(C)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720476365 YRNYMAQEHJCRCK-PSASIEDQSA-N 310.314 -0.941 5 10 DBBE CS(=O)(=O)c1cccc(C2(N)CS(=O)(=O)C2)c1[N+](=O)[O-] 2146087426 NPQRPECSXIMMIA-UHFFFAOYSA-N 320.348 -0.419 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCC2(F)CNC2)ccc1O 2146500777 JGPJCXBFBRHJLV-UHFFFAOYSA-N 305.287 -0.110 5 10 DBBE CN(CCS(=O)(=O)N(C)C)c1nccc(N)c1[N+](=O)[O-] 2151032622 HRXUUAPZHAPJFZ-UHFFFAOYSA-N 303.344 -0.100 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCN)CCO 2152162248 NHZTZKPBMHDTKT-UHFFFAOYSA-N 303.340 -0.155 5 10 DBBE NCCN(CCN)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2152187531 UFANSUPUVAOEJM-UHFFFAOYSA-N 302.356 -0.356 5 10 DBBE COC[C@H](NC(=O)c1ccnc(Cl)c1[N+](=O)[O-])C(N)=O 2152375660 ZLFATIROVNWLPW-LURJTMIESA-N 302.674 -0.127 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N=S2(=O)CCNCC2)c1 2153709688 APKAAEWHCZFKSF-UHFFFAOYSA-N 320.352 -0.250 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 2157536066 CAGSAPJTCMYPPX-UHFFFAOYSA-N 322.730 -0.229 5 10 DBBE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1nc(=N)[nH]cc1[N+](=O)[O-] 2170283342 MFINJNQHBMFRNZ-BQBZGAKWSA-N 301.328 -0.191 5 10 DBBE COc1ccc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@@H]2N)n1 2177954072 TXYUUDFYSYAQNJ-XPUUQOCRSA-N 303.296 -0.499 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@H]2CC[C@H]2N)n1 2240647511 GUPWZNYHWMICMK-HTQZYQBOSA-N 303.344 -0.515 5 10 DBBE CCc1ncc([N+](=O)[O-])c(=NCCS(=O)(=O)N(C)C)[nH]1 2286671974 LNMDSEYYABLOIG-UHFFFAOYSA-N 303.344 -0.328 5 10 DBBE O=[N+]([O-])c1ccc(CCN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 40676095 UQHJKICZADRWIF-VXGBXAGGSA-N 300.336 -0.115 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCO 228410332 DYPHKIMCIRDGSI-UHFFFAOYSA-N 304.280 -0.348 5 10 DBBE O=[N+]([O-])c1cccc(CS(=O)(=O)N(CCO)CCO)c1 341163382 DXFQOHARHJNFOL-UHFFFAOYSA-N 304.324 -0.289 5 10 DBBE CC(=O)NC[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCO1 347886658 JVSQHTUWLZOVIT-JTQLQIEISA-N 320.309 -0.021 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(=O)NCC23COC3)n1 1132853801 KDAQXPJBFOLDME-UHFFFAOYSA-N 323.309 -0.458 5 10 DBBE Cn1ncc(C(=O)NCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)n1 1284742932 PLXKNHSUCCKNDI-MWLCHTKSSA-N 322.325 -0.799 5 10 DBBE CN1C(=O)C[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1=O 1296988723 YAKGYXCLLFOIEN-GSVOUGTGSA-N 301.646 -0.542 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)n1 1302876547 HAUWQFVQPBWRAQ-GXSJLCMTSA-N 323.309 -0.552 5 10 DBBE C[C@@]1(CO)C[C@@H](O)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1453747467 NNLRDPIFABHBOY-MFKMUULPSA-N 311.294 -0.899 5 10 DBBE CCCn1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1580760356 RIQCXKSMNOYVPX-MWLCHTKSSA-N 324.341 -0.459 5 10 DBBE C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CN(C)CCN1C 1628390586 VHIMNAGVPGRNHT-JOYOIKCWSA-N 322.369 -0.064 5 10 DBBE COC(=O)[C@@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 1643516379 GZXLIVOSZNFYRV-CYBMUJFWSA-N 309.278 -0.073 5 10 DBBE CS(=O)(=O)CCN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1707081881 FEDJXCUJPVUNRT-GWOFURMSSA-N 319.383 -0.819 5 10 DBBE NS(=O)(=O)C1CN(c2cc(C(=O)O)c([N+](=O)[O-])cn2)C1 1915000469 AVBUJXYQGCHPTL-UHFFFAOYSA-N 302.268 -0.835 5 10 DBBE CN(C)CCNC(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 70813101 WMTHQLDLFASCHF-UHFFFAOYSA-N 310.310 -0.062 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCCNC(=O)C2)cc1[N+](=O)[O-] 87886387 COXKDOAWDYAXHP-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 157128414 MHCKXJCNVCSGNQ-ZCFIWIBFSA-N 317.327 -0.577 5 10 DBBE COCCN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O 271183744 IQBIMJCPNGOYSG-UHFFFAOYSA-N 311.298 -0.741 5 10 DBBE N[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)O 323281775 IYRLPLVYSARTTH-SSDOTTSWSA-N 307.259 -0.576 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1N1CC(n2cc(C(N)=O)nn2)C1 359563332 ZKIPXSQELBLZHP-UHFFFAOYSA-N 320.313 -0.129 5 10 DBBE O=C(NOCCO)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 787293230 LHEBOIRKLUEWQI-MRVPVSSYSA-N 313.266 -0.168 5 10 DBBE Cn1cnc(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 1299088173 GQKXEKWJLLQJFS-UHFFFAOYSA-N 305.294 -0.151 5 10 DBBE COC(=O)[C@]1(OC)CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 1329643853 DMMDBJSQNPWBNN-LBPRGKRZSA-N 312.282 -0.268 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)OCCC2CS(=O)(=O)C2)n1 1344115818 IBBMACAYBVNMCH-UHFFFAOYSA-N 303.296 -0.080 5 10 DBBE CCN(CCNC(=O)c1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496680680 PMGIJMMCMMCOOQ-MWLCHTKSSA-N 309.326 -0.336 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)S(C)(=O)=O)n1 1518952641 PKXIESFNTXKRIL-SSDOTTSWSA-N 304.328 -0.026 5 10 DBBE CCS(=O)(=O)N1CCN(c2c([N+](=O)[O-])cnn2C)CC1 1655914282 INFHLGLFBFWNOV-UHFFFAOYSA-N 303.344 -0.200 5 10 DBBE CCCN(C)CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1688674628 FTWCODSKBSYUCR-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE CCC(=O)NCC(=O)N(CC)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737797320 HNRSVZJKFWYEBE-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE O=[N+]([O-])C1CN(S(=O)(=O)c2c(O)nc3sccn23)C1 1876149226 KWUQFQZUKRQDLI-UHFFFAOYSA-N 304.309 -0.249 5 10 DBBE CN(C1COC1)S(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 1915670492 ZPRFBCBIHGOWPT-UHFFFAOYSA-N 302.312 -0.100 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=N[C@@H]1CS(=O)(=O)C[C@H]1O 2121333138 JSAAUOQSXLOJAQ-HTRCEHHLSA-N 307.715 -0.365 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)[C@@H](N)CO1 2165825271 LHOUSJRLCYHETG-IONNQARKSA-N 302.312 -0.316 5 10 DBBE NCCOCCCNS(=O)(=O)c1cncc([N+](=O)[O-])c1 2168106087 FTJDAGOVHQJFRX-UHFFFAOYSA-N 304.328 -0.367 5 10 DBBE O=Cc1cc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c([N+](=O)[O-])s1 2177947431 FPOGBPHUBQGBMH-PXMQNUKVSA-N 302.308 -0.017 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=NCC1(O)CS(=O)(=O)C1 2267889678 OZIGCSRTBGTURQ-UHFFFAOYSA-N 308.703 -0.969 5 10 DBBE CCN=c1nc(NN(C)S(=O)(=O)CC)c([N+](=O)[O-])c[nH]1 2365338387 BTMGFMKTFVZMSF-UHFFFAOYSA-N 304.332 -0.153 5 10 DBBE O=C(O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131133409 HUCXRYBJLQTERQ-ZETCQYMHSA-N 308.243 -0.542 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](CO)C1 167833882 UEFGUELDGXJJJW-MRVPVSSYSA-N 316.339 -0.117 5 10 DBBE C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1CCO 331185858 SYGBHFLNOKDYAW-NSHDSACASA-N 324.337 -0.719 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN2C(=O)OCC[C@@H]2C1 494084726 CKIGJPBKOGYPAM-SECBINFHSA-N 309.282 -0.156 5 10 DBBE CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593557840 SMRSPZWKTATJMH-QMMMGPOBSA-N 316.339 -0.008 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2CCO)n1 599281374 SKWGFIHQWNFVPU-QMMMGPOBSA-N 304.328 -0.136 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C1 703184292 QQCBNUYKDOVZDY-SSDOTTSWSA-N 301.328 -0.300 5 10 DBBE NNc1cc([N+](=O)[O-])cc(N2CC[C@H](S(N)(=O)=O)C2)n1 707414558 JJYRSFIADIZKAI-ZETCQYMHSA-N 302.316 -0.857 5 10 DBBE C[C@@H]1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C(=O)O1 849393587 AHRHURLDUNWFOS-RNFRBKRXSA-N 301.280 -0.028 5 10 DBBE CCn1ncc(CNCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1483464852 UUMFDWGJHXMUMW-VXGBXAGGSA-N 310.358 -0.099 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnon1 1577540164 MCWICXXNXCVXOK-PSASIEDQSA-N 311.298 -0.297 5 10 DBBE CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)Cn1ncnn1 1713592154 LKGWUEXARQHDMP-UHFFFAOYSA-N 319.325 -0.171 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=N[C@H](C)C2CS(=O)(=O)C2)[nH]1 2146086682 JHZGHFMKJNXZDL-ZCFIWIBFSA-N 301.328 -0.885 5 10 DBBE CS(=O)(=O)[C@@H]1CSCCN1c1ncc([N+](=O)[O-])c(=N)[nH]1 2157640255 PWWBDQLCJPWDAE-SSDOTTSWSA-N 319.368 -0.279 5 10 DBBE Nc1c([N+](=O)[O-])ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)c1F 2177844734 GLMLFEJRKIPYPT-HTRCEHHLSA-N 305.287 -0.114 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC([N+](=O)[O-])C1 2191502548 CPBMYCXOFVTDSM-UHFFFAOYSA-N 302.268 -0.173 5 10 DBBE O=C(Nc1cc(Cl)ncc1[N+](=O)[O-])[C@@H]1NC[C@H](O)[C@H]1O 2201161282 KCAZINHNSWMHIH-NBEYISGCSA-N 302.674 -0.725 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C2CCNCC2)n1 2240630384 HAYSHGISGRCONB-UHFFFAOYSA-N 303.344 -0.500 5 10 DBBE NCC(CO)(CO)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] 2280471751 BFQRRPDZNFAVHB-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CNC[C@H]1O 36266936 DTYCLPJWAGIGQT-GHMZBOCLSA-N 315.351 -0.144 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 136252754 PQJLBSJTTYXDPW-LURJTMIESA-N 302.312 -0.281 5 10 DBBE N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 250090216 OZFHJXABMDXBEN-VFRUTBLMSA-N 314.323 -0.617 5 10 DBBE COC(=O)C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCO1 267608429 GIHDQSHBWMHOOZ-SECBINFHSA-N 324.293 -0.143 5 10 DBBE CN(C(CO)CO)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 313433513 ZMGAEDUFVBVMNS-UHFFFAOYSA-N 308.287 -0.292 5 10 DBBE CNc1nccc(C(=O)N2CC(=O)N(C)[C@H](C)C2)c1[N+](=O)[O-] 563393573 WOMQXSYZMQEWHT-MRVPVSSYSA-N 307.310 0.334 5 10 DBBE Cc1cc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ncn1 599267390 WEEGSUJPNXZMPN-UHFFFAOYSA-N 312.311 -0.095 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H](O)C23CCC3)n1 599347047 QUQCUWNIRXVDTP-BDAKNGLRSA-N 316.339 -0.090 5 10 DBBE COCC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1284053258 ALYRDIUVDNPOSS-GWOFURMSSA-N 311.338 -0.158 5 10 DBBE O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCn2c(O)nnc2C1 1296785381 FAWWNDGARVFRRA-NSHDSACASA-N 319.277 -0.032 5 10 DBBE CCOCCN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1329655244 JMSJNLIPCPSFMY-GHMZBOCLSA-N 301.343 -0.759 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCC(=O)Nc2ccn(C)n2)n1 1467634744 MTPCXRNUVCZGBH-UHFFFAOYSA-N 321.297 -0.087 5 10 DBBE CC(C)OCCN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1506096132 CMZZCSPJALBYFO-VXGBXAGGSA-N 315.370 -0.370 5 10 DBBE Cc1c[nH]c(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1523422006 UTMGRJDPEOUDLS-NXEZZACHSA-N 309.326 -0.038 5 10 DBBE NC(=O)c1ccnc(N2CCC(NCCO)CC2)c1[N+](=O)[O-] 1642458769 SAAYSAGHXAWAIG-UHFFFAOYSA-N 309.326 -0.361 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1[C@H]2COC[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 1689328823 PHHYYZNAJASNLU-ITKMRWCBSA-N 309.322 -0.667 5 10 DBBE COc1nccc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1723514773 KLOOUWVHGDOCNZ-GHMZBOCLSA-N 321.337 -0.111 5 10 DBBE CCCNC(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1733716221 GPUFTFCJOWDMOH-GHMZBOCLSA-N 312.370 -0.194 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cn(C)nn1 1759059125 FYXMXIIYJPEXPS-MWLCHTKSSA-N 324.341 -0.551 5 10 DBBE NC[C@@H](Oc1ncc(Br)cc1[N+](=O)[O-])C(N)=O 2007459961 TXWQZEBNHCICIL-ZCFIWIBFSA-N 305.088 -0.056 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@]2(O)CNC[C@@H]2O)cc1 2157172407 QWOPJZKUJHROTC-QWRGUYRKSA-N 302.308 -0.936 5 10 DBBE CC(CO)(CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131265598 LQAYUHWLKVCFSO-UHFFFAOYSA-N 308.287 -0.245 5 10 DBBE Nc1sc(S(=O)(=O)N[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] 229363545 KIQHECSAKZVZAU-SCSAIBSYSA-N 306.325 -0.595 5 10 DBBE Nc1cc(C(=O)N2CCS(=O)(=O)CC2)c([N+](=O)[O-])cn1 236357469 DMYMYOGMBIYGDW-UHFFFAOYSA-N 300.296 -0.557 5 10 DBBE COC[C@](C)(CCO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 272514805 RAXPMLQFJVPTJO-ZDUSSCGKSA-N 313.310 -0.340 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 312546545 JHQFBURMRIMBPI-UHFFFAOYSA-N 306.275 -0.320 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCNCC3)C2)n1 569720740 IMYQRLFOLSNBDF-LLVKDONJSA-N 322.369 -0.069 5 10 DBBE CS(=O)(=O)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593534685 PHBGLPFEBREIJK-UHFFFAOYSA-N 323.352 -0.297 5 10 DBBE Cn1cnnc1N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 594022547 IFLCYWMOXMSQNB-UHFFFAOYSA-N 306.330 -0.258 5 10 DBBE C[C@@H](O)CN1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 594292062 NLUXZDRYPHZJAA-SECBINFHSA-N 309.326 -0.289 5 10 DBBE C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594757666 HRYFXBACVMOAMH-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCCN1CC2 597627022 WVPIWLXPSAQBHW-SNVBAGLBSA-N 308.342 -0.552 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)[C@@H](O)CO 698922015 ZNYUTZPWCZXWQG-SCZZXKLOSA-N 304.324 -0.077 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)[C@H](C)COC)n1 755780180 TXLUTKCWPRCYNG-SSDOTTSWSA-N 320.327 -0.094 5 10 DBBE NC(=O)CN1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 796138514 RPUZZIREGXBPJQ-UHFFFAOYSA-N 322.321 -0.066 5 10 DBBE C[C@@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCS1(=O)=O 1116784296 IWHTWTCUUZFEFL-MRVPVSSYSA-N 316.339 -0.023 5 10 DBBE NC(=O)c1cc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)ccc1[N+](=O)[O-] 1118534667 BRRZBVUVJWAHEN-JQWIXIFHSA-N 320.305 -0.213 5 10 DBBE Cn1cnnc1[C@H](CO)NC(=O)COc1ccccc1[N+](=O)[O-] 1470344189 TYYDLBBOQHPZNV-VIFPVBQESA-N 321.293 -0.048 5 10 DBBE Cc1oncc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1484272584 HQXQAYJAGQSBQU-GHMZBOCLSA-N 310.310 -0.689 5 10 DBBE CCN(CC)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1506074845 XTDHVBSZXMIZKU-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE O=[N+]([O-])c1c(N2CCN3CCOC[C@@]3(CO)C2)ccnc1O 1559287765 CRNNLRSWTSINQO-ZDUSSCGKSA-N 310.310 -0.421 5 10 DBBE COc1nccc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1699254932 FJTJGBHMGDYWJS-JGLYPNHGSA-N 321.337 -0.088 5 10 DBBE Cc1nc(C)c(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 1724453975 LHTROUDZFFEKTA-GHMZBOCLSA-N 324.337 -0.380 5 10 DBBE CS(=O)(=O)c1nn(-c2ccncc2[N+](=O)[O-])cc1C(N)=O 2080312448 ICFFAQWBLGZKHG-UHFFFAOYSA-N 311.279 -0.322 5 10 DBBE C[S@@](=O)(=Nc1nc(=N)[nH]cc1[N+](=O)[O-])N1CCNCC1 2173925880 NZYONJRYJJOQOG-HXUWFJFHSA-N 301.332 -0.653 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC1(CO)CO 2194356157 GXLBBOVGQAIKLU-UHFFFAOYSA-N 302.308 -0.287 5 10 DBBE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1csc([N+](=O)[O-])c1 2200851940 OABZKGXXMZJROW-APQOSEDMSA-N 302.264 -0.713 5 10 DBBE NS(=O)(=O)CCNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 50017470 QOPGTALYQWLDHG-UHFFFAOYSA-N 309.250 -0.109 5 10 DBBE Nc1ccc(S(=O)(=O)NN2CCOCC2)cc1[N+](=O)[O-] 148609204 DIRWZIZOOFMUHX-UHFFFAOYSA-N 302.312 -0.298 5 10 DBBE C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1)C(N)=O 157466333 AMDBLHBTLHPWBX-GSVOUGTGSA-N 309.329 -0.906 5 10 DBBE C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(N)ncc1[N+](=O)[O-] 235144675 RKEILGIHSPSSGJ-LURJTMIESA-N 302.312 -0.265 5 10 DBBE CCn1nc2c(cc1=O)CN(c1ncc([N+](=O)[O-])c(N)n1)CC2 364736185 BLFMNLLSYPNAAS-UHFFFAOYSA-N 317.309 0.106 5 10 DBBE C[C@@H](Cn1cncn1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594760245 PGSBLGMAGPJJAE-QMMMGPOBSA-N 312.311 -0.052 5 10 DBBE CC[C@@H]1NCC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599108199 SFOZFOJOBURZSV-JGVFFNPUSA-N 303.344 -0.253 5 10 DBBE Nc1sc(S(=O)(=O)N[C@H]2COCC[C@H]2O)cc1[N+](=O)[O-] 710874629 NQAOYSQHKPSHHE-CAHLUQPWSA-N 323.352 -0.333 5 10 DBBE CCS(=O)(=O)NCCOC(=O)c1nn(C)cc1[N+](=O)[O-] 772055372 CZRVRFTUMSCEIJ-UHFFFAOYSA-N 306.300 -0.576 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCOC(=O)CN1CCOCC1=O 790774454 WKGRBMFUBCWBQP-UHFFFAOYSA-N 312.282 -0.498 5 10 DBBE CN(CCNCc1nnnn1C1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1266696606 NCSLDEWURMUYME-NXEZZACHSA-N 309.330 -0.779 5 10 DBBE C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] 1320377397 XFZOCUJNJKHSQW-ZETCQYMHSA-N 304.328 -0.167 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@@H]3CNC[C@H]32)cc1 1615977081 NLVDPYSJUVRWQF-VXGBXAGGSA-N 313.335 -0.044 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC(CN)CN 2162381794 PLDZJYCZVQCPMZ-UHFFFAOYSA-N 306.319 -0.393 5 10 DBBE CC(C)S(=O)(=O)C[C@@](C)(C(=O)O)n1cnc([N+](=O)[O-])n1 2170494254 ALRBBIJARZOJJO-VIFPVBQESA-N 306.300 -0.191 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(O)(C(F)F)C2)cn1 2172118928 VDGVPVHFEYKXSC-UHFFFAOYSA-N 309.250 -0.010 5 10 DBBE C[C@@H](O)[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2174119485 QRBMXCBVIXSAEM-MUWHJKNJSA-N 308.287 -0.246 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](N)[C@H](C)O 80738359 FFKAWJLXFDXRNP-IUCAKERBSA-N 303.340 -0.110 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 157128276 MHCKXJCNVCSGNQ-LURJTMIESA-N 317.327 -0.577 5 10 DBBE C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCCCC1=O 357003720 RASKEKYBNZCRIL-SECBINFHSA-N 310.314 -0.297 5 10 DBBE O=C1NCCCC[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594749744 XLRNFWUFDLGHFJ-QMMMGPOBSA-N 314.323 -0.063 5 10 DBBE O=C1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCN1 594760798 TXDQPIMUGVGZHG-UHFFFAOYSA-N 300.296 -0.500 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@H](N)C2)n1 599101203 MVFDNXKTPNKNON-JGVFFNPUSA-N 303.344 -0.124 5 10 DBBE C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1CN 599103606 XKEAPIKDKAZYMJ-BDAKNGLRSA-N 317.371 -0.066 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@](C)(O)C2)n1 599271458 YDUCTWXUTNYKAX-SNVBAGLBSA-N 304.328 -0.136 5 10 DBBE COC1(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CC1 842729767 BBVKAURTFOREPC-UHFFFAOYSA-N 301.280 -0.026 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 1124763563 NSTAZDAYIHODFU-SSDOTTSWSA-N 302.312 -0.272 5 10 DBBE NC(=O)c1ccnc(N2CCCS(=O)(=O)CC2)c1[N+](=O)[O-] 1639508902 JRUNNCTWIXSYNH-UHFFFAOYSA-N 314.323 -0.286 5 10 DBBE C[C@@H]1NC[C@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 2011378261 DQTNHAWKZZTJIR-NOWQDGDBSA-N 306.076 -0.280 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2CC(F)(F)CO2)nc1[N+](=O)[O-] 2144780388 HZIFVLOSEBLTLN-YFKPBYRVSA-N 312.254 -0.137 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NN1CCNCC1 2145593869 TZKMLKRVZSQUFY-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE Cc1nc(Cl)[nH]c(=NC[C@@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 2146202290 XFRIMGSMBFJFLJ-LURJTMIESA-N 321.746 -0.128 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NC[C@@H]1CCS(=O)(=O)C1(C)C 2159184543 QULXPALSJKZZBP-ZETCQYMHSA-N 303.344 -0.230 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CO)[C@@H](C)O 2174124536 WSWPEBWMLFPKHK-BDAKNGLRSA-N 304.324 -0.077 5 10 DBBE O=C(Nc1ncccc1[N+](=O)[O-])[C@H]1CNCCS1(=O)=O 2202433543 KGRMYQGPWWMQDX-MRVPVSSYSA-N 300.296 -0.685 5 10 DBBE NC(=O)CCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 37503077 XOCFVKSOYVLLLH-UHFFFAOYSA-N 303.296 -0.156 5 10 DBBE Nc1ccc(S(=O)(=O)NC[C@@H]2COCCO2)c([N+](=O)[O-])c1 50662515 ABEXSUTTWLYPBF-SECBINFHSA-N 317.323 -0.129 5 10 DBBE Nc1sc(S(=O)(=O)NC[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] 125618359 LTHYVQSVSQSAGF-RXMQYKEDSA-N 320.352 -0.205 5 10 DBBE NS(=O)(=O)c1cn(CCOC(F)(F)F)nc1[N+](=O)[O-] 135327224 GIVPLWUCYWAEQA-UHFFFAOYSA-N 304.206 -0.025 5 10 DBBE NNc1cc(CN2CCCNS2(=O)=O)ccc1[N+](=O)[O-] 308400598 LWGBXQBFRLOXEA-UHFFFAOYSA-N 301.328 -0.080 5 10 DBBE N[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)O 323281776 IYRLPLVYSARTTH-ZETCQYMHSA-N 307.259 -0.576 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN3CCOC[C@@H]3C2)c1 348767304 VZXHTUVSLYNUGQ-QWHCGFSZSA-N 311.342 -0.831 5 10 DBBE C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 362907858 CBBPQTVKJQSFAY-QMMMGPOBSA-N 312.330 -0.052 5 10 DBBE CNc1nccc(C(=O)N[C@H](C)Cn2cncn2)c1[N+](=O)[O-] 561196579 FXVRGCLWFHEYLP-MRVPVSSYSA-N 305.298 0.442 5 10 DBBE CNCCOCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 599107631 PPFHZRUTIMVOCS-UHFFFAOYSA-N 318.355 -0.154 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(C)CCC(=O)N2)n1 599324586 ULBZOJSNFAPZSF-SNVBAGLBSA-N 317.327 -0.725 5 10 DBBE NC(=O)CN1CCN(c2cc(CO)sc2[N+](=O)[O-])CC1 704344992 QHSNFLOYZWBUOI-UHFFFAOYSA-N 300.340 -0.244 5 10 DBBE CN(CCNS(C)(=O)=O)c1cccc(NN)c1[N+](=O)[O-] 707918906 QOZQMRGBDSLXDK-UHFFFAOYSA-N 303.344 -0.134 5 10 DBBE COCCCCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1328947306 XGNWHKGWLRBUAW-UHFFFAOYSA-N 320.327 -0.050 5 10 DBBE CC(C)O[C@@]1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCOC1 1439547069 REZIMCZXMPIEOS-GFCCVEGCSA-N 313.314 -0.113 5 10 DBBE O=C(NCCN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1480203792 VCBHLLTYNQVCJD-WRWGMCAJSA-N 310.354 -0.585 5 10 DBBE COC[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC 1597547609 PKRKUFZQUKPCKH-QWRGUYRKSA-N 312.278 -0.068 5 10 DBBE Nc1ncc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] 1635983154 YVASGXLEUOWAMJ-MNOVXSKESA-N 321.337 -0.147 5 10 DBBE COC(=O)[C@](C)(CO)NC(=O)Cn1cc([N+](=O)[O-])nc1C 1638857509 LSHGOINYSYEVBY-NSHDSACASA-N 300.271 -0.860 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cnc[nH]1 1745455017 XGUKTBQXNUOHMM-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCNCC1 1858605649 JEKAVOUFHDKYGQ-UHFFFAOYSA-N 314.323 -0.102 5 10 DBBE N[C@@H]1COC[C@@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1919732605 UJMUHMLBEDMHBR-WVBDSBKLSA-N 322.075 -0.914 5 10 DBBE CO[C@H]1CNC[C@H]1S(=O)(=O)Nc1cc([N+](=O)[O-])ccn1 2202448799 NBMOVKOBIRRLDN-DTWKUNHWSA-N 302.312 -0.282 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1Nc1[nH]c(=N)ccc1[N+](=O)[O-] 2207460659 QKLQXGFKTAZMBD-SVRRBLITSA-N 302.312 -0.374 5 10 DBBE C[C@@H](O)[C@@H](N)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 80737521 RVJHGRBPTUQBNM-SVRRBLITSA-N 307.303 -0.280 5 10 DBBE NNc1cc(S(=O)(=O)N2CC[C@H](O)C2)ccc1[N+](=O)[O-] 131321364 XSEZEVXWRGWLCX-ZETCQYMHSA-N 302.312 -0.364 5 10 DBBE CCc1nn(C)c(N(C)CC(=O)N2CCNCC2)c1[N+](=O)[O-] 262336923 TUSXDKGHQCXAOH-UHFFFAOYSA-N 310.358 -0.241 5 10 DBBE CCNC(=O)CN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 330638059 AYYGTOWILDYAME-UHFFFAOYSA-N 324.341 -0.778 5 10 DBBE NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594745533 USRWIRXAMPSHAR-MRVPVSSYSA-N 314.323 -0.124 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)NCCOCCCO 1117137056 SDSQMHZXVLVNHF-UHFFFAOYSA-N 305.312 -0.333 5 10 DBBE CS(=O)(=O)NCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1443702485 MOZMFRGGZDQTEP-SNVBAGLBSA-N 317.323 -0.706 5 10 DBBE CN(CCNS(C)(=O)=O)C(=O)c1ccc([N+](=O)[O-])cc1N 1443771620 OQRWECLBWVYFSB-UHFFFAOYSA-N 316.339 -0.202 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(F)(F)[C@@H](CO)C1 1468392220 MBOAINZCFODGNG-SSDOTTSWSA-N 305.241 -0.338 5 10 DBBE COCC(=O)N(C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C 1511706117 DSGVBSHTAIYZSB-GHMZBOCLSA-N 301.343 -0.007 5 10 DBBE C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)N1CCO 1556640243 DXZUOLLNPNNNGI-AOOOYVTPSA-N 311.342 -0.145 5 10 DBBE Cc1ncc(CC(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 1580844690 UNHRHWCUDKGEOH-GHMZBOCLSA-N 310.310 -0.235 5 10 DBBE COC[C@H](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)OC 1632776017 UIRNFGPAJPXMJA-JTQLQIEISA-N 313.310 -0.076 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCS(=O)(=O)C[C@H]1C 1633017661 AERGXQNXCKUAMG-MRVPVSSYSA-N 316.339 -0.255 5 10 DBBE CN(C)CCC(=O)NCCN(C)Cc1c([N+](=O)[O-])ncn1C 1690973787 VFKNVWBDYDQXCV-UHFFFAOYSA-N 312.374 -0.172 5 10 DBBE CN(C)c1cc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 1757986337 PNERETXZCQWFHN-GHMZBOCLSA-N 321.337 -0.341 5 10 DBBE CO[C@H]1COC[C@@H]1n1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C 2146724171 IYUMGFXQBFPMAP-BQBZGAKWSA-N 306.300 -0.667 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](O)[C@@H](F)C1 2149265851 FKGWBAGQZRQDST-RCOVLWMOSA-N 305.287 -0.120 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@@H](O)C[C@H](O)C2)cc1[N+](=O)[O-] 2161357970 VGWOSQDPMGUPCA-WDSKDSINSA-N 323.352 -0.645 5 10 DBBE O=C1CCN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CCN1 60059953 ACEVGDIMIKEKHM-UHFFFAOYSA-N 315.307 -0.189 5 10 DBBE NNc1ccc(S(=O)(=O)NCc2nc[nH]n2)cc1[N+](=O)[O-] 80645001 ORAWUKYFEKJZHU-UHFFFAOYSA-N 313.299 -0.523 5 10 DBBE Cc1nn(C[C@@H](O)CNC(C)(CO)CO)c(C)c1[N+](=O)[O-] 125863271 FWNSKPJSQHAPQZ-JTQLQIEISA-N 302.331 -0.898 5 10 DBBE Nc1cc(S(=O)(=O)NCCc2ncn[nH]2)ccc1[N+](=O)[O-] 132776836 FPALALXMCCRZKO-UHFFFAOYSA-N 312.311 -0.184 5 10 DBBE C[C@@H](N)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCO1 156452837 OMPVXXXGPBKLJB-SCZZXKLOSA-N 316.339 -0.274 5 10 DBBE COC(=O)C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCO1 267608430 GIHDQSHBWMHOOZ-VIFPVBQESA-N 324.293 -0.143 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N[C@H]1COC[C@H]1O 323523619 UWDPIKINDHLRGZ-IONNQARKSA-N 306.271 -0.228 5 10 DBBE CCC[C@@H](C)C(=O)NCCNC(=O)Cn1cnc([N+](=O)[O-])n1 351528125 BUMVWVLOPWAYBY-SECBINFHSA-N 312.330 -0.145 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCN(S(=O)(=O)C2CC2)CC1 374767442 XTRKKBXJIMQQGD-GHMZBOCLSA-N 317.367 -0.322 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCN2CCNCC2)n1 592468492 ARQQJPAGLZFNPV-UHFFFAOYSA-N 310.358 -0.212 5 10 DBBE O=C(NCCNS(=O)(=O)c1ncccc1[N+](=O)[O-])C1CC1 594745539 VDDGZESYQYETLM-UHFFFAOYSA-N 314.323 -0.206 5 10 DBBE CC(=O)N1CC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 598625142 LIYNKLHLESYVKK-SECBINFHSA-N 314.323 -0.111 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCn2cncn2)n1 599215697 HJSJAXOYBZDLHB-UHFFFAOYSA-N 315.315 -0.712 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)n1 599248584 OMDVLPNQBGTNFZ-IONNQARKSA-N 304.328 -0.232 5 10 DBBE NCC1(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])COC1 705640607 FNEPTAXBTJOSSB-UHFFFAOYSA-N 301.324 -0.258 5 10 DBBE O=C([C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCOCC1 839484975 OEJZVCYFOQLABB-QJPTWQEYSA-N 311.338 -0.251 5 10 DBBE Cc1nccn1CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1285543455 HLQLOVJUBJGOPA-JGLYPNHGSA-N 321.337 -0.355 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 1472184010 AXCJYJGWCRKGDV-JTQLQIEISA-N 320.298 -0.131 5 10 DBBE Cc1nc(N2CC[C@H](CS(N)(=O)=O)C2)ncc1[N+](=O)[O-] 1472891894 LTXCTEQSGFUPFJ-QMMMGPOBSA-N 301.328 -0.192 5 10 DBBE Nc1ncc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] 1568344832 VZEPRYASDAHZTI-ZDUSSCGKSA-N 305.294 -0.076 5 10 DBBE CN(CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1 1687003725 MNCSVRXWQRWZGE-VXGBXAGGSA-N 312.370 -0.242 5 10 DBBE O=C(N=c1[nH][nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CN2CCN1CC2 1852809333 PMRFTCBLSKYRTO-GFCCVEGCSA-N 316.321 -0.169 5 10 DBBE NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H]1CC(=O)N1 2149185911 BSMBCEXXHZLSSF-LURJTMIESA-N 301.280 -0.491 5 10 DBBE CS(=O)(=O)C1(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)CC1 2167825953 RXBAPGASZVRLMG-UHFFFAOYSA-N 324.340 -0.984 5 10 DBBE O=[N+]([O-])c1ccc(F)c(CN[C@H]2CS(=O)(=O)C[C@@H]2O)c1 2177837609 DDIGZJZEJFREDP-QWRGUYRKSA-N 304.299 -0.019 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC([N+](=O)[O-])C1 2191503436 SCCDETSLURZYIH-UHFFFAOYSA-N 302.268 -0.173 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2289384637 FRZCWUDQUXDQQQ-WEDXCCLWSA-N 302.308 -0.558 5 10 DBBE CNS(=O)(=O)c1ccc(NC[C@@H](N)[C@H](C)O)c([N+](=O)[O-])c1 80741326 OEVBNUDPULTCEI-IONNQARKSA-N 318.355 -0.377 5 10 DBBE NNc1cc(S(=O)(=O)NCc2nnc[nH]2)ccc1[N+](=O)[O-] 131329261 INVWJWFZOHKXOA-UHFFFAOYSA-N 313.299 -0.523 5 10 DBBE Cc1[nH]nc(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] 265344811 VOKDFVOMWALYOX-UHFFFAOYSA-N 310.358 -0.054 5 10 DBBE NC(=O)c1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 405261470 JEOAYDURBDJWLD-QWHCGFSZSA-N 320.349 -0.056 5 10 DBBE CCN1CC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594782332 XAHHSYKYBMUEIH-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE COc1ccc(S(=O)(=O)N[C@@H]2CNOC2)cc1[N+](=O)[O-] 722501752 SKCUYEBSTPKLGA-SSDOTTSWSA-N 303.296 -0.215 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCO[C@@]2(CCOC2)C1 1266719640 JEKPWEVTMVSGTK-CABZTGNLSA-N 311.298 -0.359 5 10 DBBE COC(=O)[C@]1(NC(=O)Cn2c([N+](=O)[O-])cnc2C)CCOC1 1517118627 DUCRKPOSRZGFCJ-LBPRGKRZSA-N 312.282 -0.452 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)CC2(O)CCC2)C1 1567790791 BMBUVAFLUXGGGK-UHFFFAOYSA-N 323.353 -0.066 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cncnc1 1577025140 VGLNCENOLQQVQL-GHMZBOCLSA-N 307.310 -0.280 5 10 DBBE O=C(N[C@H]1C[C@H](O)[C@H](O)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 1596717426 ODKYIAVQBMWPDH-IJRMOIDVSA-N 324.289 -0.020 5 10 DBBE CC(C)(CNC(=O)Cn1ccc([N+](=O)[O-])n1)CS(C)(=O)=O 1597498243 SHTQHKSUQWAHRK-UHFFFAOYSA-N 318.355 -0.022 5 10 DBBE COC(=O)[C@]1(O)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 1636664134 BRVATSIACRFFRB-ZDUSSCGKSA-N 309.278 -0.073 5 10 DBBE CS(=O)(=O)c1cc(C(=O)Nn2ccnn2)cc([N+](=O)[O-])c1 1637174320 PPLHKKYHQCMIJY-UHFFFAOYSA-N 311.279 -0.026 5 10 DBBE CC[C@@H](C)NC(=O)Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156816789 MODTXJDRZRESBC-ZCFIWIBFSA-N 305.316 -0.647 5 10 DBBE CCCS(=O)(=O)C[C@H](C)N=c1[nH]c(=N)[nH]cc1[N+](=O)[O-] 2170583226 LPDAKFZGCPPDEV-ZETCQYMHSA-N 303.344 -0.156 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC(CO)CO)cc1F 2179742931 KVUUVQVZEXYUAF-UHFFFAOYSA-N 308.287 -0.387 5 10 DBBE N=c1[nH]c(=NCCS(=O)(=O)C(F)(F)F)[nH]cc1[N+](=O)[O-] 2232499874 GZBHTPQGKBYSSF-UHFFFAOYSA-N 315.233 -0.434 5 10 DBBE CC[C@@H](NS(=O)(=O)c1cnc(N)c([N+](=O)[O-])c1)C(=O)O 62431295 ZBPVSSAVCSWVFV-ZCFIWIBFSA-N 304.284 -0.287 5 10 DBBE NNc1ncc([N+](=O)[O-])c(NC[C@@H]2CCCS2(=O)=O)n1 236287423 NVNDCCRZZGOKGQ-LURJTMIESA-N 302.316 -0.341 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)N1C[C@@H](O)C[C@@H](O)C1 612676860 IUVQERRFTCSDRT-PHIMTYICSA-N 316.335 -0.148 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OCCN1CCSCC1 757931862 CUEXGJQXEVCJKP-UHFFFAOYSA-N 301.328 -0.222 5 10 DBBE COC(=O)C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C 1155641477 JAXXJIOVUPBOLY-RKDXNWHRSA-N 311.298 -0.156 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(C[C@H](O)CNC3=O)C2)n1 1177698961 NKCAIIKLDLUCPY-JTQLQIEISA-N 320.305 -0.379 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1(c2ncon2)CC1 1179152039 JGDPCYAXYQGXKH-UHFFFAOYSA-N 305.250 -0.055 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ncn(C)n1 1481226635 GNJZGCDHDGKHIE-UHFFFAOYSA-N 322.329 -0.681 5 10 DBBE CS(=O)(=O)C1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1642821390 ZILNQIAGWBVYHL-UHFFFAOYSA-N 315.307 -0.988 5 10 DBBE CN1CC2(CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)OC1=O 1643037341 MHGYVWAOMLNPMS-UHFFFAOYSA-N 322.277 -0.581 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccnn1C 1687462502 TXJRSBXCPISDPN-MWLCHTKSSA-N 309.326 -0.336 5 10 DBBE O=C(NCCO)[C@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1 1861037418 GLDGXGXCTVXLNR-VXGBXAGGSA-N 323.305 -0.721 5 10 DBBE NNc1cc(S(=O)(=O)N2CC(CO)C2)ccc1[N+](=O)[O-] 2148957997 JMQKSVOYFSMZFY-UHFFFAOYSA-N 302.312 -0.507 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1CN1CCS(=O)(=O)CCN1 2165093668 PHQGUQWVKGWNLP-UHFFFAOYSA-N 300.340 -0.088 5 10 DBBE CS(=O)(=O)N1CC(CNc2nccc(N)c2[N+](=O)[O-])C1 2233042549 GENNCXOFFBCRKM-UHFFFAOYSA-N 301.328 -0.125 5 10 DBBE N[C@H](CS(=O)(=O)NCc1cccc([N+](=O)[O-])c1)C(=O)O 2286025959 HCBJHCZMMRAMMU-SECBINFHSA-N 303.296 -0.574 5 10 DBBE CCNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NCC(N)=O 50638756 UKFUJKYJQNUNKB-UHFFFAOYSA-N 320.302 -0.071 5 10 DBBE Cc1nn(CCC(=O)N[C@H]2CCC(=O)NC2=O)c(C)c1[N+](=O)[O-] 435983910 KXDAXTOUNZPCLN-VIFPVBQESA-N 323.309 -0.280 5 10 DBBE C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 721741825 MNXRXJDDOCQSKN-ZCFIWIBFSA-N 302.312 -0.329 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C(=O)OCC2(C)C)n1 859185847 RCZSAHBEBLQVLE-ZETCQYMHSA-N 318.311 -0.442 5 10 DBBE NS(=O)(=O)c1cc(N2CCNC(=O)CC2)cc([N+](=O)[O-])c1 1115980672 JNMFCFHHGFCDDQ-UHFFFAOYSA-N 314.323 -0.432 5 10 DBBE COC(=O)[C@H]1C[C@@H](O)CN(CCn2c([N+](=O)[O-])cnc2C)C1 1171741947 SYUAKSOUUXNDIA-WDEREUQCSA-N 312.326 -0.044 5 10 DBBE Cc1noc(CN(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1 1334973177 RLUGAKTVJIEXDM-UHFFFAOYSA-N 316.299 -0.160 5 10 DBBE Cc1[nH]nc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C 1349834408 QNKALGPAEGELJU-NXEZZACHSA-N 309.326 -0.072 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(CC(N)=O)C2)n1 1542978345 NZOAKGCWORIJQA-SECBINFHSA-N 324.341 -0.509 5 10 DBBE O=[N+]([O-])c1cnn(CCN2CCN3CCOC[C@@]3(CO)C2)c1 1560178250 RSPXBSYRBVSSRW-ZDUSSCGKSA-N 311.342 -0.830 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CC(C2CS(=O)(=O)C2)C1 1569405911 SFSQDRNCZIZNMD-UHFFFAOYSA-N 300.296 -0.566 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cncs1 1688325616 JHHRLLUSPRJPNT-NXEZZACHSA-N 312.351 -0.075 5 10 DBBE O=C(c1cn(C[C@@H]2CCOC2)nn1)N1CCN=C1C[N+](=O)[O-] 1851686764 XHHZZEHSWYKXLX-VIFPVBQESA-N 308.298 -0.554 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3cnc([N+](=O)[O-])n3C)C[C@@H]2C1=O 1889719569 HNFXEIQHEARCOC-KNVOCYPGSA-N 307.266 -0.985 5 10 DBBE CN1[C@H](CN=c2[nH]cnc(F)c2[N+](=O)[O-])CCS1(=O)=O 2145347691 ZCSLXCMUPQKMRS-LURJTMIESA-N 305.291 -0.608 5 10 DBBE COCCS(=O)(=O)CCNc1cc([N+](=O)[O-])cc(=N)[nH]1 2204672131 YVUWRQDQYWXWSS-UHFFFAOYSA-N 304.328 -0.125 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1ccc([N+](=O)[O-])cn1 2207465482 RKYOBDQKSYOKPP-QWRGUYRKSA-N 301.324 -0.109 5 10 DBBE CCNC(=O)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50678216 YNVAAZUZTVBNEA-ZETCQYMHSA-N 316.339 -0.020 5 10 DBBE C[C@@H](O)CN(C)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 51840082 UPPJRHOZPAXEOI-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 132632719 HOWZLXLPEADIED-ZETCQYMHSA-N 314.323 -0.314 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC[C@H](CO)C2)c([N+](=O)[O-])c1 167833299 QUFHLGYRXQPGRY-QMMMGPOBSA-N 316.339 -0.117 5 10 DBBE C[C@@H](Oc1c(F)cc([N+](=O)[O-])cc1S(N)(=O)=O)C(N)=O 215918427 FJSJVMFDRGPBHG-SCSAIBSYSA-N 307.259 -0.366 5 10 DBBE C[C@](CO)(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 313526384 WCYUBMDTLJPKNC-SECBINFHSA-N 305.268 -0.896 5 10 DBBE CS(=O)(=O)N1CC[C@H](N=c2[nH]c(Cl)ncc2[N+](=O)[O-])C1 400173395 CHFCCAFWXCNYBQ-LURJTMIESA-N 321.746 -0.094 5 10 DBBE CN(C)CCONS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722268633 IMSZHXLBTNAGGC-UHFFFAOYSA-N 304.328 -0.052 5 10 DBBE CCn1cnc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 1358678593 WIXGNZXBYHXRPP-MWLCHTKSSA-N 321.337 -0.053 5 10 DBBE CCN(CCNC(=O)CC(C)(C)O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496726955 DWXIEIBJFZDOJA-NXEZZACHSA-N 301.343 -0.223 5 10 DBBE CN(CCOCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(F)F 1510192563 AKNJOSOSHHAFOO-HTQZYQBOSA-N 309.269 -0.492 5 10 DBBE CN(C)C(=O)NCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1623810300 LKARGBYOYLOZON-UHFFFAOYSA-N 304.694 -0.028 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 1654571770 XBVOQPKFEOEWFG-UHFFFAOYSA-N 316.339 -0.104 5 10 DBBE O=C(CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)NCC1CC1 1717150142 PPSNDKCRRIFIQY-VXGBXAGGSA-N 324.381 -0.194 5 10 DBBE COC(=O)CN(C)S(=O)(=O)Nc1cc([N+](=O)[O-])ccn1 2202449863 CYJMIPBAQZPYCY-UHFFFAOYSA-N 304.284 -0.249 5 10 DBBE NNc1cc(N2CC[C@H](S(N)(=O)=O)C2)ccc1[N+](=O)[O-] 2234456311 BZUBVVAHMSGUOO-QMMMGPOBSA-N 301.328 -0.252 5 10 DBBE CS(=O)(=O)[C@@H]1CC[C@](C(=O)O)(n2cnc([N+](=O)[O-])n2)C1 2361603755 HIULREGYPNXJSC-MUWHJKNJSA-N 304.284 -0.437 5 10 DBBE O=C([C@@H]1COCCN1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 237959852 YGPWNBFDMHSMAT-PWSUYJOCSA-N 321.337 -0.009 5 10 DBBE CCN1CC[C@H]2OCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]2C1 355328201 DOKONHJBJGBLCF-WDEREUQCSA-N 324.341 -0.492 5 10 DBBE C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1CCO 428531465 KPWCEYPAXGRCSJ-SECBINFHSA-N 309.326 -0.289 5 10 DBBE COCCc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)n(C)n1 1319454239 FKRNNSGTMCJRKL-UHFFFAOYSA-N 309.286 -0.253 5 10 DBBE CNC(=O)CCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1328739936 FSVJBJJYPKVLSH-UHFFFAOYSA-N 305.316 -0.915 5 10 DBBE CCOCCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1335189062 SZYLWQQZIPSBIK-UHFFFAOYSA-N 306.300 -0.440 5 10 DBBE COC[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C(=O)OC 1566837975 ZGFDATAVTHQWKK-BYPYZUCNSA-N 306.662 -0.111 5 10 DBBE CN(C(=O)CCn1ccnc1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1585468818 UEBUANPCBRUCBU-VXGBXAGGSA-N 321.337 -0.392 5 10 DBBE CCCn1nnnc1CNCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1663923633 GEOYVACJSKQTJL-NXEZZACHSA-N 311.346 -0.704 5 10 DBBE O=C(Cc1cnc[nH]1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759699608 SILPWDSBBPOOSB-JLVKAVFRSA-N 307.310 -0.594 5 10 DBBE O=C(CN1C(=O)COc2ccccc21)N1CCN=C1C[N+](=O)[O-] 1851827196 CHLBRFUASWDDLF-UHFFFAOYSA-N 318.289 -0.071 5 10 DBBE NS(=O)(=O)C1CN(c2cccc(C(=O)O)c2[N+](=O)[O-])C1 1915001584 QCVHIYQJYAZIPF-UHFFFAOYSA-N 301.280 -0.230 5 10 DBBE N[C@@H]1COCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2148816646 SJRZCGLOJXJDTB-GHMZBOCLSA-N 301.324 -0.011 5 10 DBBE CN=c1[nH]c(N[C@H]2CCS(=O)(=O)[C@@H]2C)ncc1[N+](=O)[O-] 2157682940 YRULXZHNAAZGSV-RQJHMYQMSA-N 301.328 -0.164 5 10 DBBE N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 2168115188 LDGOPXQJYLGJKG-WCBMZHEXSA-N 301.324 -0.323 5 10 DBBE NNc1cc(N[C@@H]2CS(=O)(=O)C[C@H]2O)ccc1[N+](=O)[O-] 2234460421 BMLABGMXOAMSFK-PSASIEDQSA-N 302.312 -0.550 5 10 DBBE CCn1ncc([N+](=O)[O-])c1N[C@H]1CNC[C@H]1S(C)(=O)=O 2240579630 RFLBNMUJMRWATG-IONNQARKSA-N 303.344 -0.392 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H]2CCS(=O)(=O)C2)c1 38083853 IJQUBZUTIQCYJI-ONGXEEELSA-N 318.355 -0.824 5 10 DBBE N[C@@H]1COCCN1S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 88378753 ATILDXLJZRTPHK-JTQLQIEISA-N 303.296 -0.394 5 10 DBBE CS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 131439483 VKVJLTLCPIMKOO-UHFFFAOYSA-N 323.352 -0.500 5 10 DBBE COC[C@@H](NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)C(=O)O 158448694 BWYGSLMBRVFNJN-MRVPVSSYSA-N 300.271 -0.376 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN2C(=O)OCC[C@@H]2C1 494088471 ZJXUFJNSLMSBDU-SECBINFHSA-N 309.282 -0.156 5 10 DBBE COC(=O)c1ccnc(NCCc2nnnn2C)c1[N+](=O)[O-] 598610982 PMEPYHNDVRYWPI-UHFFFAOYSA-N 307.270 -0.046 5 10 DBBE CCN1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O 599320127 CDMCITRFORTCON-SSDOTTSWSA-N 317.327 -0.773 5 10 DBBE Cn1cc(C[C@@H](O)C(=O)OCCn2cc([N+](=O)[O-])cn2)cn1 786852632 HXFZWAAUVVGMHG-LLVKDONJSA-N 309.282 -0.328 5 10 DBBE CN(C)C1(CS(=O)(=O)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 843013194 BRYFALRKRYAKSA-RKDXNWHRSA-N 305.356 -0.418 5 10 DBBE O=C(NCC1CN(C(=O)COCC(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1284965234 VQUBCQGUSCHUSY-RKDXNWHRSA-N 321.280 -0.492 5 10 DBBE CN(CCNC(=O)c1cnnc(O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1355672469 LJFYGZTTZMGTFS-RKDXNWHRSA-N 309.282 -0.964 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN2C(=O)CC[C@H]2C1 1446210206 OFWLWMHXQHNMCX-JTQLQIEISA-N 320.305 -0.410 5 10 DBBE CS(=O)(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])cn2)COC1 1585887087 BHGXPEJUELCCFE-UHFFFAOYSA-N 315.307 -0.467 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](CO)c1cncn1C 1647841266 UURSJQFMNPMVDC-VIFPVBQESA-N 308.298 -0.317 5 10 DBBE COC(=O)Cc1ccc(N2CCN[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 1651341367 MLSGWQZVABAPTQ-JTQLQIEISA-N 322.321 -0.426 5 10 DBBE CN(CCCS(C)(=O)=O)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1713451821 VGIZYMCPOALQSI-NXEZZACHSA-N 307.372 -0.866 5 10 DBBE NC[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2153168925 WFAJDCCXBMDQCV-SNVBAGLBSA-N 301.324 -0.057 5 10 DBBE CN=c1[nH]c(N2CCS(=O)(=O)[C@@H](C)C2)ncc1[N+](=O)[O-] 2157679572 BYOXVIUVHGVKKR-ZETCQYMHSA-N 301.328 -0.528 5 10 DBBE O=C(O)[C@H](CO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 2188008320 MVMSBOKOYYDBLA-ZETCQYMHSA-N 304.280 -0.434 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(O)n[nH]2)c1 2199526188 XCKHOXFRILIAJE-UHFFFAOYSA-N 300.256 -0.199 5 10 DBBE CO[C@@H]1CNC[C@@H]1S(=O)(=O)N=c1cc[nH]cc1[N+](=O)[O-] 2202432654 UNMXHIKJJFOKRG-ZJUUUORDSA-N 302.312 -0.860 5 10 DBBE Cn1cc([N+](=O)[O-])c(=N[C@H](CSCC(=O)O)C(=O)O)[nH]1 2288537730 JTQJVHMYVLMSMZ-RXMQYKEDSA-N 304.284 -0.567 5 10 DBBE Cc1cc(S(=O)(=O)NC[C@@H](O)CO)cc([N+](=O)[O-])c1C 90281268 WUAOBMWODODGMO-SECBINFHSA-N 304.324 -0.157 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)[C@H](CN)C1 124375037 NOHFAZLGTLFKAE-SECBINFHSA-N 315.355 -0.747 5 10 DBBE C[C@H](O)C(=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 346823064 KEDSKTXHQZQIKQ-VIFPVBQESA-N 323.305 -0.034 5 10 DBBE CN(Cc1nnnn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 354611413 CEDIAGNJAILAIG-UHFFFAOYSA-N 312.311 -0.061 5 10 DBBE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 592881627 UTTFKTZMYRUNKN-JTQLQIEISA-N 324.341 -0.630 5 10 DBBE NC(=O)CN1CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 704373832 KJXXYXGKORMUEU-UHFFFAOYSA-N 300.706 -0.355 5 10 DBBE O=C(COC[C@H]1CCCO1)OCCn1cnc([N+](=O)[O-])n1 749076295 IDMUGEWRVYVONT-SECBINFHSA-N 300.271 -0.075 5 10 DBBE C[C@@H](COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[N+](=O)[O-] 813115530 UQMUTBGQIRWCFZ-GZCSZBLOSA-N 312.278 -0.643 5 10 DBBE CCN(CC)C(=O)Cn1c([N+](=O)[O-])nc2c1c(O)nc(=O)n2C 1166984290 WSOHVKNLQRTJAA-UHFFFAOYSA-N 324.297 -0.388 5 10 DBBE CC(C)N(C)C(=O)CN(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1264985212 QKHFAEQSQIZYJO-VXGBXAGGSA-N 314.386 -0.044 5 10 DBBE CCN(CC)CC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1494434824 NXKXIYCHLSEDLP-DIACKHNESA-N 324.381 -0.434 5 10 DBBE Cn1cncc1CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1506149128 AQYNEVSQVYXXBQ-GHMZBOCLSA-N 321.337 -0.607 5 10 DBBE CN1CCN(C2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C2)CC1 1618432867 BWRDQWSMYWFLQK-UHFFFAOYSA-N 320.353 -0.356 5 10 DBBE CS(=O)(=O)NCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] 1633139248 LZYJATRADVIDBC-UHFFFAOYSA-N 319.314 -0.058 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](O)c1ccnn1C 1652541863 CDYTZCDTKLYONK-SNVBAGLBSA-N 308.298 -0.317 5 10 DBBE O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cn2ccccc2n1 1757985686 GXMHLWQXJDPYQF-MWLCHTKSSA-N 317.305 -0.155 5 10 DBBE O=C1CN(C2CN(C(=O)c3ccc(F)c([N+](=O)[O-])c3)C2)CCN1 1891017530 XCPSXGHLQIQFOJ-UHFFFAOYSA-N 322.296 -0.010 5 10 DBBE Nc1ccnc(N2CC[C@H](CS(N)(=O)=O)C2)c1[N+](=O)[O-] 2144395601 PVDLTUTZEUVYIP-ZETCQYMHSA-N 301.328 -0.313 5 10 DBBE C[C@@H](CS(N)(=O)=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 2152956458 DCNCVMUNNLZEKI-ZETCQYMHSA-N 323.352 -0.450 5 10 DBBE CS(=O)(=O)c1ccc(N2CC(O)(CN)C2)c([N+](=O)[O-])c1 2154728926 DXFBEANJAMZGMH-UHFFFAOYSA-N 301.324 -0.492 5 10 DBBE CC[S@@](C)(=O)=NCCN=c1[nH]cc([N+](=O)[O-])c(=NC)[nH]1 2187307063 LEEPVQXZMVQNBA-HXUWFJFHSA-N 302.360 -0.200 5 10 DBBE CO[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 2188217578 BCAHYRDCCSMSQX-WCBMZHEXSA-N 302.312 -0.054 5 10 DBBE Cc1ccc([N+](=O)[O-])c(S(=O)(=O)CCS(N)(=O)=O)c1 94663511 KZTNFKDKZUJJLX-UHFFFAOYSA-N 308.337 -0.035 5 10 DBBE Nc1cccc(C(=O)NCCCS(N)(=O)=O)c1[N+](=O)[O-] 156958731 IPJVDPLPKLPUEB-UHFFFAOYSA-N 302.312 -0.415 5 10 DBBE COC[C@@H](NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O 158591788 IUSWCOTVIKBVQB-SSDOTTSWSA-N 320.279 -0.322 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1cccc(O)c1[N+](=O)[O-] 343272030 KUVADYIYSHVROI-UHFFFAOYSA-N 303.296 -0.421 5 10 DBBE CCOC(=O)C1(O)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 353321269 CCBJQFMIRMOWGY-UHFFFAOYSA-N 312.282 -0.152 5 10 DBBE CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCS1(=O)=O 580808444 YMRQYIHTVDRJSF-UHFFFAOYSA-N 302.312 -0.033 5 10 DBBE C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593579773 ARONLZGIURGTPH-QMMMGPOBSA-N 314.323 -0.159 5 10 DBBE CN1C(=O)C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593592452 JYRMYZLMGNNTQL-ZETCQYMHSA-N 314.279 -0.975 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1CCN2C[C@H](O)C[C@H]2C1 594025840 SFWWRPHBAFDGOP-QWHCGFSZSA-N 308.338 -0.493 5 10 DBBE CCn1cc(S(=O)(=O)N(C)CC2CN(C)C2)c([N+](=O)[O-])n1 594847386 PVTMOIKGFDILKU-UHFFFAOYSA-N 317.371 -0.007 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCNC[C@](C)(F)C2)n1 599106418 GMZQOZXQGAOWPJ-JTQLQIEISA-N 321.334 -0.350 5 10 DBBE Nc1nc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)ncc1[N+](=O)[O-] 599167684 WJDYTZPJPLLWFZ-SFYZADRCSA-N 313.339 0.123 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2O)c1 706680204 HXYQGYNKKBWGST-ZJUUUORDSA-N 303.296 -0.582 5 10 DBBE CNC[C@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 708893114 PWNQUMQJPSMMSE-JTQLQIEISA-N 303.340 -0.204 5 10 DBBE CNC(=O)NC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CCO1 1118810482 IZHNMJGPXIKEQO-SECBINFHSA-N 310.314 -0.173 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H](CC(N)=O)C1 1118910564 JDFDAJVTXSRSHO-SECBINFHSA-N 311.298 -0.797 5 10 DBBE C[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC(=O)N1 1129510786 QHKMWZLFMLUTSM-CYBMUJFWSA-N 308.294 -0.459 5 10 DBBE C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 1277407368 XJXXLOIXEYEXIX-HLTSFMKQSA-N 310.314 -0.348 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(=O)NCC23COC3)n1 1288291856 DWGHKWBSCGRHKN-UHFFFAOYSA-N 309.282 -0.941 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NCCNS(C)(=O)=O)n1 1293157740 IZGDCUBDDKTIEM-UHFFFAOYSA-N 302.312 -0.423 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC1C[C@H]2C[C@@H]2C1 1326252192 BUYJECOURLSLKF-RKDXNWHRSA-N 307.310 -0.178 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1(CO)COC1 1327080043 NXRZOMZPOFWBKN-UHFFFAOYSA-N 303.296 -0.723 5 10 DBBE CC(C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@]1(O)CCOC1 1328578012 PPAHPVFKTSXZLT-GFCCVEGCSA-N 313.314 -0.520 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)COCC2CC2)n1 1348295523 LZZALIVHGRHDPV-UHFFFAOYSA-N 318.311 -0.440 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[C@@H]1C=NNC1=O 1470578248 FBYWNZZEWLBHMR-SECBINFHSA-N 308.298 -0.272 5 10 DBBE CC(C)N(C)CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1492349809 VYTUJZZIZNINQG-VXGBXAGGSA-N 314.386 -0.044 5 10 DBBE CN(C)CCCC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1494433922 FBDBAZVVRMNJOZ-DIACKHNESA-N 324.381 -0.434 5 10 DBBE Cn1cc(CC(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1533408304 BRVMHYZYWNIVQD-JDEDCZITSA-N 321.337 -0.584 5 10 DBBE O=C1NCC[C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]12 1560096948 LHVZCCHDSRIADI-WCFLWFBJSA-N 323.353 -0.247 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCC(O)(COCCO)CC2)n1 1612934447 RXYHWAUCYBOHFG-UHFFFAOYSA-N 300.315 -0.332 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NOCCN1CCCC1=O 1634251748 USYPECAFNDUGNC-UHFFFAOYSA-N 324.293 -0.573 5 10 DBBE NS(=O)(=O)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1914969962 QNWPHSSNKNCRHG-UHFFFAOYSA-N 321.336 -0.744 5 10 DBBE N[C@H]1CC[C@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1998383621 GBKOEKBWONDYLV-NOWQDGDBSA-N 306.076 -0.150 5 10 DBBE NCCOCCCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2168116507 YELHYDUKSFHJMO-UHFFFAOYSA-N 304.328 -0.367 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1cc([N+](=O)[O-])cc(=N)[nH]1 2192664206 NSUXJDNKDGUGOB-JGVFFNPUSA-N 301.328 -0.801 5 10 DBBE C[C@H](O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 70302054 HKJOHGBTMKVKCD-XNCJUZBTSA-N 305.268 -0.898 5 10 DBBE CN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131343935 NEJBDOYAQMKCBT-GHMZBOCLSA-N 319.314 -0.313 5 10 DBBE NC(=O)OCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 135278743 JJFJKRSZDRNBRJ-UHFFFAOYSA-N 304.284 -0.449 5 10 DBBE CNS(=O)(=O)CCNc1ncc([N+](=O)[O-])cc1C(=O)O 231014516 WQKFDTZJORLVHU-UHFFFAOYSA-N 304.284 -0.351 5 10 DBBE CCOC(=O)C[C@@H](CO)NC(=O)c1nn(CC)cc1[N+](=O)[O-] 597679460 MJNBWOYHGKBERU-QMMMGPOBSA-N 314.298 -0.145 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)CC1CCC1 755116019 LPXLNUAGTPWXQB-UHFFFAOYSA-N 303.300 -0.568 5 10 DBBE Cc1ccnc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1325213146 GWXHBBOEMBLESQ-GHMZBOCLSA-N 321.337 -0.887 5 10 DBBE O=C(NC1CN(C(=O)CCOCC(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1356758168 CQSZDXPGZULTMK-RKDXNWHRSA-N 321.280 -0.350 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ncc2c(n1)CCC2 1468895050 VLXJTSNKWHNNCT-UHFFFAOYSA-N 303.282 -0.219 5 10 DBBE NS(=O)(=O)C1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 1468916843 HUNCCWLUYFQSCM-UHFFFAOYSA-N 315.307 -0.527 5 10 DBBE Cn1cnnc1[C@@H](CO)NC(=O)COc1ccccc1[N+](=O)[O-] 1470344187 TYYDLBBOQHPZNV-SECBINFHSA-N 321.293 -0.048 5 10 DBBE CCC(=O)NC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1595692973 OACTVFXCYSYGIW-UHFFFAOYSA-N 310.314 -0.297 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1CC(=O)NC(C)C 2156812131 CGZCEAKATNKCDA-UHFFFAOYSA-N 305.316 -0.728 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1Nc1ncnc(F)c1[N+](=O)[O-] 2207471785 RMOLTEMJFGFMBT-RITPCOANSA-N 306.275 -0.252 5 10 DBBE NC(CO)(CO)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2286173318 YPYMTGAHKMVJJQ-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE NS(=O)(=O)c1cn(CCOCC(F)F)nc1[N+](=O)[O-] 2353421876 BVRGKZVJRCVROH-UHFFFAOYSA-N 300.243 -0.280 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 49102086 KEVBDGNASBHSGR-ZCFIWIBFSA-N 317.327 -0.707 5 10 DBBE CNc1ccc([N+](=O)[O-])c(C(=O)NCCNS(C)(=O)=O)c1 50754103 LMVYRCJCCOBORQ-UHFFFAOYSA-N 316.339 -0.085 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CN2CCN1CC2 269495059 ORWFONCRFDSSHH-SNVBAGLBSA-N 306.326 -0.500 5 10 DBBE CNC(=O)c1ccc(N2CC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 319486862 UJOINNGKXWJVIK-ZDUSSCGKSA-N 308.294 -0.619 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@@H]1O 323141353 XYWHMQVVKLNXBR-ZJUUUORDSA-N 302.308 -0.059 5 10 DBBE C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H](C)N1CCOCC1 355141549 UPYRHAIMHWRGFJ-VHSXEESVSA-N 312.330 -0.588 5 10 DBBE C[C@@H]1OCC[C@@H]1N(CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 361585611 QFTBJJXGKDYKMH-UHTWSYAYSA-N 314.342 -0.376 5 10 DBBE CN1CC[C@@H]2OCCN(C(=O)c3c([N+](=O)[O-])cnn3C)[C@H]2C1 408040116 CZSSZWDQWZJGDK-QWRGUYRKSA-N 309.326 -0.127 5 10 DBBE O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)NCC(F)F 593591552 OAFSYNKMICGFSB-UHFFFAOYSA-N 324.265 -0.351 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](O)C(C)(C)C2)n1 599292802 HSCTYUOYZUHIKZ-QMMMGPOBSA-N 304.328 -0.280 5 10 DBBE CN=[S@](C)(=O)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1168161317 WPENEZQTEKFGEF-OAQYLSRUSA-N 316.339 -0.400 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NCCCn1cccnc1=O 1449075268 LORXTLKHFBESPJ-UHFFFAOYSA-N 306.282 -0.446 5 10 DBBE O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](O)Cn1ccnn1 1638697165 KXCUBZQINRQYCZ-LBPRGKRZSA-N 305.294 -0.094 5 10 DBBE CN(C)C(=O)CN1CCCN(c2c([N+](=O)[O-])cnn2C)CC1 1651421273 WCWQCXXXGKGOBU-UHFFFAOYSA-N 310.358 -0.071 5 10 DBBE Cc1nc(N(C)C[C@@H](O)CN2CCOCC2)ncc1[N+](=O)[O-] 1655227122 AEODQVRWXIGUTL-LLVKDONJSA-N 311.342 -0.177 5 10 DBBE Cn1c(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cnc1O 1689582823 KWHJQHVUDSDYLE-HTQZYQBOSA-N 323.309 -0.831 5 10 DBBE Cc1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1 1747191646 LTTHSDSRVZSQCX-JDEDCZITSA-N 319.321 -0.148 5 10 DBBE CCOC(=O)[C@@H](N)C[S@@](=O)Cc1nn(C)cc1[N+](=O)[O-] 2195291905 PATNCDXFZXCHJH-SVWIBVJCSA-N 304.328 -0.533 5 10 DBBE Nc1cccc(S(=O)(=O)Nc2nc(O)n[nH]2)c1[N+](=O)[O-] 2199525583 QZQKYAOSNKYKDW-UHFFFAOYSA-N 300.256 -0.199 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] 37393944 LJVSLVDSOLJPFQ-UHFFFAOYSA-N 300.296 -0.703 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2CCOC[C@H]2C1 352191139 RIBYAAJBUZFXFO-SNVBAGLBSA-N 307.310 -0.271 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)OCC[C@@H]2C1 494094698 NNVALGZFXAILKM-MRVPVSSYSA-N 309.282 -0.005 5 10 DBBE CC(=O)N1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 532388474 HOHZFZPMWRFHBE-UHFFFAOYSA-N 321.337 -0.116 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN2C[C@H](O)C[C@H]2C1 594392553 HWUNGBYEFQGHMY-CMPLNLGQSA-N 309.326 -0.541 5 10 DBBE COC[C@@](C)(O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599315610 NWGBINPCHDKWTK-JTQLQIEISA-N 322.343 -0.606 5 10 DBBE C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)N(C)C 761982627 MBMMGNLBQZLPIY-QMMMGPOBSA-N 324.293 -0.261 5 10 DBBE COC(=O)N1CC(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 845902929 VVJDKHIBGCRVMC-UHFFFAOYSA-N 316.295 -0.281 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC(CO)(CO)C1 1168947817 SGYFGGCPLMATSZ-UHFFFAOYSA-N 312.326 -0.261 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)CC 1480974573 OREULGUNCZOYBR-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE CN(CCNC(=O)Cn1ccnc1)Cc1c([N+](=O)[O-])ncn1C 1492895111 RTWXMTCMGUXYHZ-UHFFFAOYSA-N 321.341 -0.227 5 10 DBBE CN(C)C(=O)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1528438599 CGZKDYXXWZTRHI-JTQLQIEISA-N 322.321 -0.307 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(CC(F)(F)CO)CC1 1557267290 QQQHWSZCIPUEMM-UHFFFAOYSA-N 319.268 -0.297 5 10 DBBE Cc1nn(C)c(C(=O)NC[C@H]2CCN(C(N)=O)C2)c1[N+](=O)[O-] 1558979331 XCYAYUQGYZBSPE-MRVPVSSYSA-N 310.314 -0.233 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1597143051 DARSYQXXIBOXKN-DTORHVGOSA-N 321.293 -0.827 5 10 DBBE C[C@@H](O)[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCO1 1642542179 UXTOTEIGWAASBG-SKDRFNHKSA-N 311.294 -0.635 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(C2)NC(=O)NC3=O)n1 1648745963 GYDXLCVQYKAXGH-UHFFFAOYSA-N 305.250 -0.668 5 10 DBBE Cn1cnc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 1738751479 VTSHDEAOZGUBJY-PSASIEDQSA-N 307.310 -0.536 5 10 DBBE COCCOCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1758669090 LNFUULVJBHUWFC-GWOFURMSSA-N 315.326 -0.922 5 10 DBBE NS(=O)(=O)c1n[nH]c(=NC(=O)c2ccc([N+](=O)[O-])o2)s1 2146478859 OIOYXQIBLWZDRK-UHFFFAOYSA-N 319.280 -0.639 5 10 DBBE CNC1CN(S(=O)(=O)Nc2c(O)cccc2[N+](=O)[O-])C1 2159025120 MOKOLKHZGSTDIQ-UHFFFAOYSA-N 302.312 -0.139 5 10 DBBE Cc1[nH]ccc(=N[C@H]2CNC[C@@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2192656207 JWGIOONSYIPGAG-UWVGGRQHSA-N 300.340 -0.483 5 10 DBBE CS[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2205580731 CLPMHKLXJRIQDA-IUCAKERBSA-N 318.380 -0.029 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Oc2nc(=N)[nH]cc2[N+](=O)[O-])C1 2285596061 WVIQMNXCKZDVOK-ZCFIWIBFSA-N 303.300 -0.790 5 10 DBBE Nc1ccc([N+](=O)[O-])c(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c1Cl 2357914626 KRFGWFMNWCQNFV-RNSXUZJQSA-N 303.702 -0.267 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nc[nH]n1 80644938 NGOPIHXOTXTXPJ-UHFFFAOYSA-N 313.299 -0.523 5 10 DBBE NC(=O)[C@@H]1COCCN1C(=O)c1ccnc(Cl)c1[N+](=O)[O-] 158167692 OIXKSRJJXIAVMG-ZETCQYMHSA-N 314.685 -0.031 5 10 DBBE C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1(=O)=O 173776106 NMIUGCIACCZQAJ-ONGXEEELSA-N 318.355 -0.729 5 10 DBBE CN(C)C[C@]1(O)CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 597575485 ZFFVEWMJHATFMK-GFCCVEGCSA-N 312.330 -0.899 5 10 DBBE O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1C[C@@H](O)C[C@@H](O)C1 611514613 RDOSFJXUSKAATH-DTORHVGOSA-N 310.262 -0.109 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCCN2CCO 1158509606 XHAVOOLPMFULMG-STQMWFEESA-N 323.353 -0.151 5 10 DBBE Cn1cc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)nn1 1268035974 JSVRWWCOJMTBLE-VXGBXAGGSA-N 322.369 -0.001 5 10 DBBE CCn1nncc1CNC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1274016505 NWUMJASTGHFWAL-BLDJZWNYSA-N 308.342 -0.275 5 10 DBBE COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCS(N)(=O)=O 1303265745 VHWUPHSBWFFFQL-UHFFFAOYSA-N 317.323 -0.036 5 10 DBBE C[C@H](O)[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1331340152 NTIVMRQHHLTCJD-YUMQZZPRSA-N 304.328 -0.280 5 10 DBBE O=C(c1ccc([N+](=O)[O-])o1)N1CCN2[C@@H](CNS2(=O)=O)C1 1456165345 SBQOOVXDMKQHJO-ZETCQYMHSA-N 316.295 -0.838 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cncn1C 1492349077 KOIKSPMZTSEHIR-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE Cn1cncc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1747214286 IPHZBYJJZLTTCU-HLKOZVMDSA-N 307.310 -0.513 5 10 DBBE CCS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])c(=O)n(C)c1 1889643481 HTPCHRVYBNKTEL-UHFFFAOYSA-N 317.323 -0.542 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(O)(CO)C1 2171957822 VJGJVALJCVDWJX-UHFFFAOYSA-N 302.308 -0.369 5 10 DBBE CN=c1[nH]c(N=[S@@]2(=O)CC[C@@H](CN)C2)ncc1[N+](=O)[O-] 2173818975 TXNWPAZVSGPCFW-SVWIBVJCSA-N 300.344 -0.074 5 10 DBBE C[P@@]1(=O)C[C@@H](Nc2ncnc(NN)c2[N+](=O)[O-])[C@@H](O)C1 2177956343 RPWPLAQOUQULQQ-QRGPMTEPSA-N 302.231 -0.182 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@@H](O)CO)ccc1O 2182234718 BAAKMTXWXBQOHT-SSDOTTSWSA-N 306.296 -0.678 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC23CCNCC3)n1 599107395 JETDKHPYLWLTRA-SECBINFHSA-N 315.355 -0.251 5 10 DBBE COc1ccc(CNCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1481228520 ABRZVNYVCYFBDY-GHMZBOCLSA-N 309.326 -0.302 5 10 DBBE Nc1nc(N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)ncc1[N+](=O)[O-] 1612864598 RJYVVHNBHXRMAY-HTQZYQBOSA-N 313.339 -0.162 5 10 DBBE CN(CCCNC(=O)c1ccn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1687482466 UBVITOHXFSDHRI-MWLCHTKSSA-N 309.326 -0.336 5 10 DBBE O=C(NC/C=C/CNC(=O)C12CCN(CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] 1705035796 RNHIPTXRDFEHSQ-NUYITTKVSA-N 322.365 -0.464 5 10 DBBE N[C@H]1COC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2149989133 STRXBBSLILPUFO-DTWKUNHWSA-N 305.287 -0.262 5 10 DBBE COC1(CO)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 2157307121 DQHZVPMHTWPAQH-UHFFFAOYSA-N 302.308 -0.023 5 10 DBBE CN(C)S(=O)(=O)C1CN(c2cc(N)c([N+](=O)[O-])cn2)C1 2187313802 FQEWUUYGVLWFOM-UHFFFAOYSA-N 301.328 -0.348 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1N=c1ccc(N)c([N+](=O)[O-])[nH]1 2207470268 LDEVFZVVJNXVAP-JGVFFNPUSA-N 302.312 -0.782 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCOC2)c1 131588860 NQRVUVILRQGXES-QMMMGPOBSA-N 302.312 -0.052 5 10 DBBE NC(=O)[C@]1(O)CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 276515401 RYKQJARKMFTAGO-AWEZNQCLSA-N 322.321 -0.155 5 10 DBBE COc1cc(C(=O)N2CC[C@@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 319270008 DWYHDTOBMQWYBJ-ZDUSSCGKSA-N 309.278 -0.334 5 10 DBBE COCC[C@H](COC)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 355759775 XGFOIPXROWCUCY-SNVBAGLBSA-N 313.310 -0.076 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN[C@@H](C(N)=O)C2)c1 360143124 HDTSEYAXQWQUCH-SECBINFHSA-N 308.294 -0.355 5 10 DBBE CC(C)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1=O 494756271 MIQIXMBBDRMNLZ-SNVBAGLBSA-N 324.341 -0.098 5 10 DBBE C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594765198 UJVWFTXSJLKBMF-IUCAKERBSA-N 317.323 -0.240 5 10 DBBE NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 615930947 ASBDCJWPXZWYDZ-AUTRQRHGSA-N 307.310 -0.096 5 10 DBBE C[C@@H](O)[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 717414392 JIKCITXHBRAIIB-MUWHJKNJSA-N 308.287 -0.246 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C2CC2)C(=O)C1 1265677428 BBRLMFLFZLIBOL-UHFFFAOYSA-N 307.310 -0.067 5 10 DBBE CS(C)(=O)=NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cn1 1299744851 BYDUQCWBQQIZFZ-UHFFFAOYSA-N 300.296 -0.026 5 10 DBBE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 1321956795 RMISMDJEBHSYSK-YUMQZZPRSA-N 317.327 -0.780 5 10 DBBE NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 1323019596 KFLHSHGYZBJJQG-QMMMGPOBSA-N 300.296 -0.507 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1[C@H]2CCC[C@H]21 1323615497 JROMHJIXLXURIU-JGPRNRPPSA-N 307.310 -0.178 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(=O)NCC23COC3)n1 1439048753 RXWFLGGOHFGTTG-UHFFFAOYSA-N 306.278 -0.361 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnccn1 1505927717 FVZIQYROCKOADT-PSASIEDQSA-N 305.294 -0.480 5 10 DBBE CCCCC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1571883698 SSECYRXJYYCVCB-GHMZBOCLSA-N 313.354 -0.079 5 10 DBBE CN(CCCNC(=O)C12CCN(CC1)C2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1577212580 LAGYNEJSYIBKMX-VXGBXAGGSA-N 324.381 -0.288 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1CCOCC1 1582932846 WXTCMNNAWVQEBI-VXGBXAGGSA-N 313.354 -0.005 5 10 DBBE Cn1cncc1[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1585907548 XNROGBPIDMVPQO-JTQLQIEISA-N 321.293 -0.660 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(S(C)(=O)=O)CC1 1635340825 YXYUVMBIFBVSAF-UHFFFAOYSA-N 316.339 -0.023 5 10 DBBE CNc1c(C(=O)N2CC(O)(C(=O)OC)C2)cccc1[N+](=O)[O-] 1636380581 JNPVWKOENWQWGH-UHFFFAOYSA-N 309.278 -0.004 5 10 DBBE CNc1nccc(C(=O)NCCN2CCNC2=O)c1[N+](=O)[O-] 1638489425 ZKYULZQEBRYXFU-UHFFFAOYSA-N 308.298 -0.214 5 10 DBBE COc1ccc(CN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 1686989738 WWDUMXFSEFATCH-VXGBXAGGSA-N 321.337 -0.205 5 10 DBBE CN(CCNC(=O)CCn1cnnn1)c1ccc([N+](=O)[O-])cn1 1689820275 GDSQMKBWWVUMPI-UHFFFAOYSA-N 320.313 -0.381 5 10 DBBE O=[N+]([O-])c1nn(C[C@]2(O)CNCCOC2)cc1Br 2039071106 FDKBLKYEABONIP-SECBINFHSA-N 321.131 -0.095 5 10 DBBE CO[C@H]1COC[C@H]1n1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C 2146724174 IYUMGFXQBFPMAP-RQJHMYQMSA-N 306.300 -0.667 5 10 DBBE Nc1cc(N2CCC(S(N)(=O)=O)CC2)ncc1[N+](=O)[O-] 2165858893 VDPGPYSYRZYRCE-UHFFFAOYSA-N 301.328 -0.171 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC(O)(CO)C1 2171956370 HGOSPKOETHHKRZ-UHFFFAOYSA-N 302.308 -0.369 5 10 DBBE O=[N+]([O-])c1cncc(Cl)c1N1CC2(C1)OC[C@H](O)[C@@H]2O 2183728469 PXQIHGAPUKHYBF-WPRPVWTQSA-N 301.686 -0.046 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1CCN(C)C1CC1 2193703990 WVAOYMLHWGMIDM-UHFFFAOYSA-N 303.344 -0.159 5 10 DBBE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])s1 2200851565 MAVPBACYLCDTID-ZQASAOEGSA-N 302.264 -0.713 5 10 DBBE C[C@@H](O)CNC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21 31845539 NLRYFSVPAISUBR-MRVPVSSYSA-N 309.278 -0.183 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302388 WRNLEKHWLHNHCC-SSDOTTSWSA-N 300.296 -0.501 5 10 DBBE O=C1CC[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])N1 594868125 YCXNHQHEPYDRFX-ZETCQYMHSA-N 300.296 -0.453 5 10 DBBE CC(C)(CCC(=O)N1CCC(O)(c2nn[nH]n2)CC1)[N+](=O)[O-] 1155520306 BNEAWWIDZOMHBY-UHFFFAOYSA-N 312.330 -0.155 5 10 DBBE Cn1cc(CCNC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1274014586 AIUHUALSBHADLV-XCUNLHGCSA-N 307.354 -0.110 5 10 DBBE COCCOCCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1284919261 MLOWJENDQFKSKM-GHMZBOCLSA-N 315.326 -0.968 5 10 DBBE O=C(N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@]1(O)CCOC1 1468737029 MCAKTPBFIONCHF-AWEZNQCLSA-N 322.321 -0.210 5 10 DBBE Cc1cnn(CC(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 1530705080 HBHZJCPPNHQGPU-VXGBXAGGSA-N 321.337 -0.569 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCCC(N)=O 1582947194 MGFQYBVGJZVYIE-NXEZZACHSA-N 314.342 -0.776 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1n[nH]cc1F 1759889512 FOCDSDHDZRQDGW-HTRCEHHLSA-N 311.273 -0.407 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1[C@H]1CCN(C)C1=O 2156817584 PYRDTAZDDBSKBR-LURJTMIESA-N 303.300 -0.850 5 10 DBBE NS(=O)(=O)NCCNc1cccc(C(=O)O)c1[N+](=O)[O-] 2157525300 KSZCLFVIFMKPOP-UHFFFAOYSA-N 304.284 -0.502 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NC1CCC(S(C)(=O)=O)CC1 2159176728 POXQFPWQTSHPQX-UHFFFAOYSA-N 303.344 -0.087 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]2[C@@H](O)CO)cc1 2286210820 MWCOGJXQMHWUQW-MNOVXSKESA-N 302.308 -0.289 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1N1C[C@H](O)[C@H](O)[C@H](CO)C1 2289401289 PWMBVCIJJVICLI-KADJCCMJSA-N 303.702 -0.207 5 10 DBBE Cc1ccc(S(=O)(=O)NCCS(N)(=O)=O)cc1[N+](=O)[O-] 40218746 WKYQGESBCDNIJJ-UHFFFAOYSA-N 323.352 -0.530 5 10 DBBE N[C@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)C(=O)O 125093607 LIKVDBAVJJIDHF-RXMQYKEDSA-N 306.072 -0.069 5 10 DBBE COc1cc(C(=O)N2CC[C@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 319269998 DWYHDTOBMQWYBJ-CYBMUJFWSA-N 309.278 -0.334 5 10 DBBE NC(=O)c1ccnc(N2CCN(C3CC3)C(=O)C2)c1[N+](=O)[O-] 357490858 SDPZTLLVDHKDHP-UHFFFAOYSA-N 305.294 -0.100 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CCNCC1 570919970 VPVUGQHKMWAGBF-UHFFFAOYSA-N 307.310 -0.540 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3C[C@@]3(C(=O)O)C2)n1 600660391 ULPDCYFSFTXSFD-LHLIQPBNSA-N 316.295 -0.577 5 10 DBBE CN(CCN1CCCS1(=O)=O)CCn1cc([N+](=O)[O-])cn1 610604195 GLQMAOYUKFUYLV-UHFFFAOYSA-N 317.371 -0.241 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCS(=O)(=O)C1 1141437151 JLAMRCHQXINJED-SECBINFHSA-N 316.339 -0.268 5 10 DBBE CC(C)N(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nc[nH]n1 1288179038 VKQIZWJISCBDGE-NXEZZACHSA-N 324.341 -0.221 5 10 DBBE Cc1nn(C)c(C(=O)N2CCN(C3CN(C)C3)CC2)c1[N+](=O)[O-] 1347771934 GDOKDRJLZOECCA-UHFFFAOYSA-N 322.369 -0.291 5 10 DBBE CC(C)(CCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)[N+](=O)[O-] 1585859062 XELRZWBZDYOIMA-SECBINFHSA-N 307.372 -0.028 5 10 DBBE CNC(=O)C1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 1597928771 NEXXTZBQPRHMHS-UHFFFAOYSA-N 311.298 -0.797 5 10 DBBE O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)Cn1ccnn1 1626063574 JYONSVZEHNQEPE-LBPRGKRZSA-N 305.294 -0.094 5 10 DBBE C[S@](=O)(CCN)=NS(=O)(=O)c1cncc([N+](=O)[O-])c1 1924726584 CSGNCYCLKIZLBL-SFHVURJKSA-N 308.341 -0.265 5 10 DBBE CCS(=O)(=O)C[C@H](C)N=c1[nH]c(=N)[nH]c(C)c1[N+](=O)[O-] 2170584683 DCNISWXOBONMPO-LURJTMIESA-N 303.344 -0.237 5 10 DBBE COc1nc(NC2[C@@H]3CS(=O)(=O)C[C@@H]23)ncc1[N+](=O)[O-] 2174660824 APHMRTMJVULKKG-PHDIDXHHSA-N 300.296 -0.152 5 10 DBBE COCC(O)(CN=c1[nH]c(Cl)ncc1[N+](=O)[O-])COC 2175893060 KOBFFNBRPOHVDJ-UHFFFAOYSA-N 306.706 -0.104 5 10 DBBE C[C@H]1[C@@H](O)CN1S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 2182522347 DVDXGPHOGLAFGA-WKEGUHRASA-N 302.312 -0.366 5 10 DBBE C[C@@H]1[C@H](O)CN1S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 2182522488 FTVQLLRKHRCFFX-HZGVNTEJSA-N 302.312 -0.366 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CN)CO 2182585445 DXESYPOKBWABLJ-SSDOTTSWSA-N 307.303 -0.360 5 10 DBBE C[C@H]1OCC[C@H]1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 190301382 MAUYAWUWQRXPKC-PSASIEDQSA-N 304.328 -0.112 5 10 DBBE Cc1nc(N)nc(N2CCS(=O)(=O)C[C@@H]2C)c1[N+](=O)[O-] 235597429 PBPNMNVXHPTRKY-LURJTMIESA-N 301.328 -0.101 5 10 DBBE NC(=O)C1(O)CCN(c2cc(CO)sc2[N+](=O)[O-])CC1 404395338 ODICIWHBIKOYLF-UHFFFAOYSA-N 301.324 -0.035 5 10 DBBE NC(=O)CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1=O 458048527 RKYIVERKTJJXSL-UHFFFAOYSA-N 320.305 -0.707 5 10 DBBE CS(=O)(=O)NC[C@H]1COCCN1c1ncc([N+](=O)[O-])cn1 599185764 SLECNPKBNIKRBM-VIFPVBQESA-N 317.327 -0.861 5 10 DBBE COC[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])OC 599270646 AGYXYSLRDKPDLS-ZETCQYMHSA-N 308.316 -0.732 5 10 DBBE CNS(=O)(=O)CCCOC(=O)Cn1cc([N+](=O)[O-])nc1C 777071965 RQSXVXSWZQMNGX-UHFFFAOYSA-N 320.327 -0.418 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CN(C2CC2)C(=O)O1 847265381 BDUJUMZEBHHVQQ-VIFPVBQESA-N 309.282 -0.109 5 10 DBBE C[C@@H]([C@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1)S(C)(=O)=O 1150031475 YDAAMAOSVSQATJ-IUCAKERBSA-N 318.355 -0.023 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnns1 1298284989 QJBKNQCPBVFLLF-LQKKCHKWSA-N 311.323 -0.395 5 10 DBBE Cc1nc(N2CCC(S(N)(=O)=O)CC2)ncc1[N+](=O)[O-] 1306958093 GUDLULUIRDDEDU-UHFFFAOYSA-N 301.328 -0.049 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)O)C2CCOCC2)n1 1328761235 CEDNVLLMZOCDBP-SECBINFHSA-N 312.282 -0.062 5 10 DBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cc([N+](=O)[O-])cn1C 1439879436 NYCZGOARJMIKFE-SNVBAGLBSA-N 324.293 -0.611 5 10 DBBE Cn1ncnc1CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1567441228 XCSKSXVGVGBJFO-GHMZBOCLSA-N 308.342 -0.439 5 10 DBBE COC(=O)[C@@H]1CSCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 1616515045 NDLKHJNDJYZCLK-QMMMGPOBSA-N 314.323 -0.092 5 10 DBBE O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC(CO)(CO)C1 1651649978 RLYKELSUBZVJIT-UHFFFAOYSA-N 310.262 -0.250 5 10 DBBE COC1(OC)CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1O 1659950595 KHCQLZVJXZSDMB-JTQLQIEISA-N 300.315 -0.116 5 10 DBBE O=C(Cn1ccnc1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1705035834 SBOAMZPPOSXDGB-JLVKAVFRSA-N 307.310 -0.663 5 10 DBBE CS(C)(=O)=NCCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1913517904 KWDYBAVKZIRBPB-SNVBAGLBSA-N 305.360 -0.531 5 10 DBBE CCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2118654479 DPQGYJNVSQKGRK-UHFFFAOYSA-N 309.325 -0.460 5 10 DBBE NNc1ccc(S(=O)(=O)NCC2COC2)cc1[N+](=O)[O-] 2154132667 PODFOAGABJJIRX-UHFFFAOYSA-N 302.312 -0.195 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC(O)(CCO)C1 2286186015 JFBJUEUVIOJCEG-UHFFFAOYSA-N 302.308 -0.287 5 10 DBBE C[C@H](NS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-])C(N)=O 37930042 NXAZWILOUVVCJS-YFKPBYRVSA-N 303.300 -0.968 5 10 DBBE C[C@H](O)CNCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 132271661 LDIGTMWHMSGIAQ-QMMMGPOBSA-N 321.330 -0.017 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCc2ncnn2C1 152757796 NZWLJHODEVUEOR-VIFPVBQESA-N 320.313 -0.303 5 10 DBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc[nH]n1 243989098 SDVXARXRMCZYFO-UHFFFAOYSA-N 316.233 -0.052 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CNCCO2)s1 420484973 YQIVXQSAQDSIEW-SSDOTTSWSA-N 307.353 -0.077 5 10 DBBE CC(=O)NCCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594747344 WXLKASBRUTZIOY-UHFFFAOYSA-N 302.312 -0.206 5 10 DBBE C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594769212 DSWPLHIIXRDPJQ-LDYMZIIASA-N 317.323 -0.192 5 10 DBBE CN1C[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)NC1=O 597446904 STPDEBWOLNMVLN-VIFPVBQESA-N 304.266 0.433 5 10 DBBE CNC[C@@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 708893395 UICMIDAXQNAXOG-MRVPVSSYSA-N 304.328 -0.809 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NN1CCS(=O)(=O)CC1 862737173 BVZPXQYVLUAWKQ-UHFFFAOYSA-N 314.323 -0.327 5 10 DBBE O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 1297990287 GAGHQSTWEOATIT-LBPRGKRZSA-N 314.319 -0.126 5 10 DBBE C[C@H]1[C@@H](C)N(C(=O)c2n[nH]cc2[N+](=O)[O-])CCS1(=O)=O 1465288141 QITMQOCYXHUERK-RQJHMYQMSA-N 302.312 -0.035 5 10 DBBE CCOC(=O)[C@@H](CO)NC(=O)Cn1c([N+](=O)[O-])cnc1C 1566497275 OXJQTBQZCAWNQJ-MRVPVSSYSA-N 300.271 -0.860 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCNS(C)(=O)=O 1624152328 FJABMIMPKXUYIU-UHFFFAOYSA-N 319.343 -0.845 5 10 DBBE Cc1ncncc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1689582720 HGRNQFRGTAGZDI-MWLCHTKSSA-N 319.321 -0.171 5 10 DBBE Cc1nc(C)c(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 1721126947 SDDVBZSBYGYYBT-NXEZZACHSA-N 309.326 -0.120 5 10 DBBE Nc1cc(S(=O)(=O)Nc2nc(O)n[nH]2)ccc1[N+](=O)[O-] 2199524976 MLGWJKCJNWCHIV-UHFFFAOYSA-N 300.256 -0.199 5 10 DBBE C[C@@H](O)CN(CCN)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2285347924 QJPYHIWUIZZGBD-SECBINFHSA-N 303.340 -0.075 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCNC(=O)C1 50649840 FTCMMYHURGBNJG-UHFFFAOYSA-N 300.296 -0.703 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnns1 127644166 VEGLVMAJELVHBF-UHFFFAOYSA-N 317.312 -0.072 5 10 DBBE CNc1ccc(S(=O)(=O)NCCNC(N)=O)cc1[N+](=O)[O-] 147414300 XYRXANVKVPEVGD-UHFFFAOYSA-N 317.327 -0.417 5 10 DBBE COC(=O)[C@@H](CF)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 561558000 XLPHCDLUNYEESR-ZCFIWIBFSA-N 307.259 -0.221 5 10 DBBE CON(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 859402961 KTOQHIKDITWPTO-ZETCQYMHSA-N 318.311 -0.324 5 10 DBBE Cc1ccc([N+](=O)[O-])c(C(=O)N2CC3(C2)NC(=O)NC3=O)c1 1180852052 WKECXQDDNGMOAI-UHFFFAOYSA-N 304.262 -0.063 5 10 DBBE CC[C@@H](CNS(C)(=O)=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1533443543 OQRIAEIFYLTPCN-ZETCQYMHSA-N 319.343 -0.614 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN(CCCO)C1 1556662689 KVZAWIGIMLYKTH-NSHDSACASA-N 311.342 -0.246 5 10 DBBE Cn1cc(CN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)nn1 1567440442 FGZWOCMTRMWHRO-VXGBXAGGSA-N 308.342 -0.439 5 10 DBBE CN(C)CCC(=O)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1581522236 PSBOTMLHWHWIND-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)c1N 1582944252 PYOCSWSVSMBNCN-PSASIEDQSA-N 324.341 -0.802 5 10 DBBE CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCS(=O)(=O)C1 1623505143 VTCBDTNKHXKRCA-SSDOTTSWSA-N 302.312 -0.413 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCc2ncnc(O)c2C1 1625499858 LDPWKLFGRRPISD-UHFFFAOYSA-N 304.266 -0.128 5 10 DBBE Nc1ncc(C(=O)N[C@@H](CO)CN2CCCC2)cc1[N+](=O)[O-] 1625505513 NLYUBVXAKVWHNK-SNVBAGLBSA-N 309.326 -0.242 5 10 DBBE COC[C@]1(CO)CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 1635748503 UYECDVXASXVPIX-CYBMUJFWSA-N 312.326 -0.043 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C1CN([C@H]2CCOC2)C1 1635754737 AGLHRDCCCNWGBD-NSHDSACASA-N 309.326 -0.372 5 10 DBBE CC(C)NC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1713139751 CNSPKGSCZSKJIH-YVECIDJPSA-N 324.381 -0.149 5 10 DBBE O=C(CCc1ncccn1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758171179 AZNCMRQPZUMPDG-GHMZBOCLSA-N 321.337 -0.303 5 10 DBBE CN1C(C)(C)[C@H](N=c2[nH]n(C)cc2[N+](=O)[O-])CS1(=O)=O 2151143874 IPHDCPLANBTMHY-MRVPVSSYSA-N 303.344 -0.416 5 10 DBBE NC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2F)COC1 2151382334 BKJXCZMVEGJPFL-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1ncnc(Cl)c1[N+](=O)[O-] 2192679459 UXBDPZMSTWNINX-NTSWFWBYSA-N 321.746 -0.165 5 10 DBBE CNS(=O)(=O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] 231013667 GCMZKEPBFAPVQP-UHFFFAOYSA-N 303.296 -0.421 5 10 DBBE CC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 268671689 BCCFDVHUYNBNCQ-JTQLQIEISA-N 322.321 -0.164 5 10 DBBE C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])S(N)(=O)=O 350620109 LRMIXZAMTMCDRR-QMMMGPOBSA-N 301.324 -0.070 5 10 DBBE COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 592918956 KXPIDXRJPRYUPU-WPRPVWTQSA-N 309.278 -0.014 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](Cn2ccnn2)C1 597904332 RHMJBQALVFZYOD-JTQLQIEISA-N 305.298 -0.069 5 10 DBBE O=C(NCC1(NCC(=O)N2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1277054160 BZSAGBJEFQHYMU-VXGBXAGGSA-N 324.381 -0.098 5 10 DBBE CCOC(=O)c1cc(C(=O)NC[C@@H](O)CO)cc([N+](=O)[O-])c1 1304470683 OPMYLZSHXHFNRZ-LLVKDONJSA-N 312.278 -0.146 5 10 DBBE Cc1cnn(C)c1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1584953500 ADUZVZAGJIODLR-NXEZZACHSA-N 321.337 -0.228 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C[C@H](C)c1nn[nH]n1 1624666225 JAQFPFYWDCHWPL-ZETCQYMHSA-N 308.302 -0.125 5 10 DBBE C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C 1628390744 YOZUUWKCFHXWNV-KOLCDFICSA-N 322.369 -0.064 5 10 DBBE C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[S@@]1=O 1638516006 MUAJJQKDHPIGJU-SQFXPLBJSA-N 301.328 -0.444 5 10 DBBE CCOCCNCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1673728167 PEFNWOKKVIGPAP-VXGBXAGGSA-N 315.370 -0.057 5 10 DBBE O=C(Cn1ccnc1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705276862 UPFMRYRGRAHPIE-NXEZZACHSA-N 307.310 -0.687 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnc(C)n1C 1745308008 CFVITRKGIJBIGJ-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CCC(=O)O)C(O)O 1865985989 GPVQJLKDHODPII-VIFPVBQESA-N 313.266 -0.549 5 10 DBBE O=C1NOC[C@@H]1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2148981715 OLIVFMWCWZRDAR-LURJTMIESA-N 305.243 -0.558 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)c1ccc(N)cc1[N+](=O)[O-] 2152954751 QMFQUDAYONYMHD-ZCFIWIBFSA-N 302.312 -0.416 5 10 DBBE COc1nc(OC[C@@H]2CCS(=O)(=O)N2)ncc1[N+](=O)[O-] 2157682317 PMFFVYNCVMNNBK-LURJTMIESA-N 304.284 -0.536 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C[C@@H]1N 2179201320 HQKZRAKSHWBQIE-IUCAKERBSA-N 302.312 -0.664 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2C[C@H]3C[C@@H]3CO2)nc1[N+](=O)[O-] 2179428058 LSKGTAUSQHCOIV-PRJMDXOYSA-N 302.312 -0.136 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CC2(C1)OC[C@H](O)[C@@H]2O 2183726026 WNHZBUFNGVNGJC-RCOVLWMOSA-N 300.292 -0.397 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2(CO)COC2)cc1F 2189264590 PCWUOUFDQFDCRL-UHFFFAOYSA-N 306.271 -0.227 5 10 DBBE CCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 157472762 UALKDQXNTDFBMO-UHFFFAOYSA-N 310.357 -0.055 5 10 DBBE CC1(C(N)=O)CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 519541033 SSAXFQDULPORBH-UHFFFAOYSA-N 306.278 -0.133 5 10 DBBE CCN(CCC(=O)OC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599227316 RVFGZMLGQJSUNY-UHFFFAOYSA-N 320.327 -0.098 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3c[nH]nc3C2)n1 599262769 LZTWURGWFHBEAO-UHFFFAOYSA-N 312.311 -0.202 5 10 DBBE CN(C)C(=O)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 721722456 BEAQCVQURSTQKQ-UHFFFAOYSA-N 302.312 -0.457 5 10 DBBE CN(C)S(=O)(=O)CCCOC(=O)Cn1cnc([N+](=O)[O-])n1 774531917 TXXDWVXGVGCJAX-UHFFFAOYSA-N 321.315 -0.989 5 10 DBBE Cn1cc(CN2CCC(C(=O)NCCO)CC2)c([N+](=O)[O-])n1 1307972463 QNRIUSXFCSEEAD-UHFFFAOYSA-N 311.342 -0.351 5 10 DBBE COC(=O)[C@@H]1CC12CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)CC2 1318475787 HYMPKRAHDHIUID-VIFPVBQESA-N 323.309 -0.012 5 10 DBBE C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@]2(CCOC2)O1 1325003651 FJYLNWTXZUJLIJ-SKDRFNHKSA-N 311.298 -0.407 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@](C)(CO)[C@@](C)(CO)C2)n1 1330144382 YZRDIRVDVIQEHN-BETUJISGSA-N 312.326 -0.219 5 10 DBBE O=C(O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 1865945817 CIJNCSHPHVKMLA-HTQZYQBOSA-N 304.642 -0.007 5 10 DBBE COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](O)[C@@H](O)C(=O)O 1865945945 IQKAUOIBNOGMCQ-RKDXNWHRSA-N 300.223 -0.652 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)C(F)(F)C2)cn1 2152096662 RJXDQWABCJDTLF-ZETCQYMHSA-N 309.250 -0.010 5 10 DBBE CN=c1[nH]c(N=[S@](C)(=O)[C@H]2CCNC2)ncc1[N+](=O)[O-] 2173820848 QOFBMYFEQSTICB-SVWIBVJCSA-N 300.344 -0.060 5 10 DBBE Cc1cc(S(=O)(=O)CCS(N)(=O)=O)nc(C)c1[N+](=O)[O-] 2174253762 GPQSZNYXGJGWAG-UHFFFAOYSA-N 323.352 -0.331 5 10 DBBE COc1ccc([N+](=O)[O-])c(N[C@H]2CS(=O)(=O)C[C@@H]2O)n1 2177807348 APQRLHQQKWZZTF-XPUUQOCRSA-N 303.296 -0.432 5 10 DBBE C[C@@H]1[C@@H](O)CN1S(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 2182524863 XCANWMYHFFUOMV-MUWHJKNJSA-N 302.312 -0.366 5 10 DBBE O=C1C[C@@H](CNS(=O)(=O)c2cncc([N+](=O)[O-])c2)CN1 2186491339 UDODAGSGONDNKQ-SSDOTTSWSA-N 300.296 -0.596 5 10 DBBE O=C(O)Cc1ccc(S(=O)(=O)N2CC([N+](=O)[O-])C2)cc1 2191536943 VPBJCIYCRHNZJT-UHFFFAOYSA-N 300.292 -0.037 5 10 DBBE Cn1cc([N+](=O)[O-])c(C[S@@](=O)C(C)(C)[C@H](N)C(=O)O)n1 2195300142 XTNAUCONJHINOP-ZPWHCFADSA-N 304.328 -0.233 5 10 DBBE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ncnc(Cl)c1[N+](=O)[O-] 2234068325 OVSYCFRJGGJALM-ATRFCDNQSA-N 304.690 -0.405 5 10 DBBE CN=c1nc(NN(C)S(=O)(=O)C(C)C)c([N+](=O)[O-])c[nH]1 2365265798 SIQYZGPYILDRQG-UHFFFAOYSA-N 304.332 -0.155 5 10 DBBE CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 36264998 JGXQWBRHQQTFQS-WPRPVWTQSA-N 319.314 -0.001 5 10 DBBE C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](C)CN1CCO 416301019 URDDMUNGQWRRAB-QWRGUYRKSA-N 311.342 -0.295 5 10 DBBE Cn1nnnc1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 591757576 IEFMWNKSTVYZAK-NSHDSACASA-N 322.325 -0.310 5 10 DBBE COCCN(CCO)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594762983 RZYWISCEBRWWEW-UHFFFAOYSA-N 305.312 -0.381 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC(=O)N1 594779520 SMBOQYWEUGNZNC-SSDOTTSWSA-N 300.296 -0.501 5 10 DBBE CC(C)C(=O)NCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599205126 HPNPINFQCAUGNQ-UHFFFAOYSA-N 319.343 -0.621 5 10 DBBE CCOC(=O)C(C)(C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599229390 BOQDIYWZCOIJCR-UHFFFAOYSA-N 320.327 -0.052 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CNC[C@@H]2O)ccc1Cl 699965929 CGKOZGUPTOZDTP-WPRPVWTQSA-N 321.742 -0.141 5 10 DBBE CCOC(=O)[C@H](COC)OC(=O)Cn1cnc([N+](=O)[O-])n1 766310860 ANASZGFEZAYHHK-ZETCQYMHSA-N 302.243 -0.692 5 10 DBBE Cc1cnc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1285905397 XLOZHBHHQMVESR-MWLCHTKSSA-N 319.321 -0.171 5 10 DBBE CCOC(=O)[C@@](C)(O)CNC(=O)c1nn(C)cc1[N+](=O)[O-] 1320296928 IUSYMLPZOPBLFY-NSHDSACASA-N 300.271 -0.628 5 10 DBBE O=C1NC(=O)[C@]2(CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)N1 1326776347 SMZOFUVQPIZBCM-CYBMUJFWSA-N 319.277 -0.196 5 10 DBBE Cn1cnnc1N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 1349825282 KQKTUTDZBFEJAK-UHFFFAOYSA-N 320.313 -0.581 5 10 DBBE NC(=O)CN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 1545510617 HJOPOBVLPPAZFS-CYBMUJFWSA-N 322.321 -0.742 5 10 DBBE NC(=O)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 1589502810 XVMHMPIBAWRYMC-UHFFFAOYSA-N 311.298 -0.716 5 10 DBBE COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 1597045813 BFXNOAPWMKPJKU-KXUCPTDWSA-N 323.309 -0.014 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H](CO)[C@H](CCO)C1 1607697677 HGOFRFQIKNTSEA-MNOVXSKESA-N 312.326 -0.451 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CCCNC1=O 1628279947 WDUKMQRGNLYMDN-SECBINFHSA-N 308.294 -0.601 5 10 DBBE CCN(CCNC(=O)Cc1ccon1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1745295289 LJEAGAYQEUVFRM-GHMZBOCLSA-N 310.310 -0.153 5 10 DBBE NS(=O)(=O)c1cn(C[C@H]2[C@H]3COCC[C@@H]32)nc1[N+](=O)[O-] 2150099971 SEBJZPXOJOZIEK-PRJMDXOYSA-N 302.312 -0.279 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N)COC1 2151412088 WCFPPGKDKIWOBW-UHFFFAOYSA-N 301.324 -0.091 5 10 DBBE CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)N1CC(O)C1 2174798305 OXDDRJJZMOVVOF-UHFFFAOYSA-N 301.324 -0.052 5 10 DBBE O=C1NC[C@@H](CNS(=O)(=O)c2cncc([N+](=O)[O-])c2)O1 2186495775 KPALWHFTEPYVAS-ZETCQYMHSA-N 302.268 -0.624 5 10 DBBE CC1(NS(=O)(=O)c2ccc(NN)c([N+](=O)[O-])c2)COC1 2189272932 POVCRRYYAPJJJI-UHFFFAOYSA-N 302.312 -0.052 5 10 DBBE COC1(OC)CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2195204006 XQSQAWYMPHZFAT-UHFFFAOYSA-N 303.296 -0.017 5 10 DBBE O=C(NC(C(=O)O)C(=O)O)c1ccnc(Cl)c1[N+](=O)[O-] 312596582 RPWDJILYXFEYON-UHFFFAOYSA-N 303.614 -0.089 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CCNC(=O)C1 338132925 IGVVTZWJCWRZSA-UHFFFAOYSA-N 321.337 -0.150 5 10 DBBE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1=O 362243466 ZIFQCPVWDMYCJH-HLTSFMKQSA-N 308.298 -0.688 5 10 DBBE C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)CO 704947971 RRVONOCFRYQORO-POYBYMJQSA-N 308.287 -0.246 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@]2(C)CCOC2)n1 861327473 ZLALRVAJRKMAJF-SNVBAGLBSA-N 318.311 -0.440 5 10 DBBE O=C(c1cc([N+](=O)[O-])ccc1-n1cnnn1)N1CC[C@H](O)C1 1137235792 BTULHTFMHMRJTO-VIFPVBQESA-N 304.266 -0.223 5 10 DBBE CN(CCNC(=O)c1cccc(O)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1284510040 BWPXHXQZDKBONP-PSASIEDQSA-N 308.294 -0.359 5 10 DBBE COC(=O)[C@H](O)C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1632297651 HQBVISIXUOVXOP-SNVBAGLBSA-N 312.282 -0.296 5 10 DBBE CCOC(=O)COCCNC(=O)CCn1cc([N+](=O)[O-])cn1 1635785650 DYHOMDNTRVUUID-UHFFFAOYSA-N 314.298 -0.123 5 10 DBBE N[C@H]1COC[C@@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2149988419 QBEMYSFYKOTQCM-CBAPKCEASA-N 302.312 -0.620 5 10 DBBE Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CN)CO)cc1C 2182586766 ZFBUNSWTTNAPSA-VIFPVBQESA-N 303.340 -0.190 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H](O)[C@@H](O)C1 2188677335 FHMFMSOJRGGTGO-UWVGGRQHSA-N 302.308 -0.289 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](O)C2)cn1 2188682425 PUEWGKGAUBYKHP-IUCAKERBSA-N 303.296 -0.894 5 10 DBBE CS(=O)(=O)[C@H]1C[C@@H](CN=c2[nH]cnc(N)c2[N+](=O)[O-])C1 2192329892 FCVGSFGKEUAJEO-KNVOCYPGSA-N 301.328 -0.376 5 10 DBBE CS[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2205580732 CLPMHKLXJRIQDA-RKDXNWHRSA-N 318.380 -0.029 5 10 DBBE CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(N)=O 50638680 FMJUJPJNHTYNOQ-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE NC(=O)[C@H]1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 88664796 MCOGYZHUBXXCEW-SECBINFHSA-N 314.323 -0.957 5 10 DBBE CN1CCO[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 150914049 WWJZYCUGGWRFBT-NSHDSACASA-N 312.330 -0.579 5 10 DBBE CN1CCN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 347905653 SMJVEDJHOASLDX-UHFFFAOYSA-N 305.342 0.297 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](CN)C1 563212551 YTTQRUGAGSFDEA-QMMMGPOBSA-N 320.396 -0.080 5 10 DBBE C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599336295 KTSVROGXNFZSGE-ZCFIWIBFSA-N 303.300 -0.863 5 10 DBBE O=C(CN1C[C@@H](O)C[C@@H](O)C1)N1CCc2ccc([N+](=O)[O-])cc21 610614914 YBGQZLMAVDHTMD-BETUJISGSA-N 321.333 -0.089 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1ccnc(Cl)c1[N+](=O)[O-])C(=O)O 691771244 SMNCXCBXVGVTJT-BYPYZUCNSA-N 324.702 -0.203 5 10 DBBE NS(=O)(=O)[C@H]1CCCN(c2ncnc(F)c2[N+](=O)[O-])C1 707415658 RSLZOUNTXLHITC-LURJTMIESA-N 305.291 -0.219 5 10 DBBE C[C@H](CS(=O)(=O)N(C)C)OC(=O)c1nn(C)cc1[N+](=O)[O-] 861148726 GDWSQBIHXWBGGC-SSDOTTSWSA-N 320.327 -0.235 5 10 DBBE CN1C[C@]2(C)CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@]2(C)C1 913288032 ANENEJZQXZIVFQ-CHWSQXEVSA-N 308.342 -0.014 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN2C(=O)OC[C@H]2C1 1137301343 GSKRKGVSJITTGZ-SECBINFHSA-N 309.282 -0.237 5 10 DBBE Cc1nn(C)cc1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1284506061 LHVNLISDZQVWCQ-MWLCHTKSSA-N 309.326 -0.418 5 10 DBBE COc1cc(OCC(=O)NC2=NCC(=O)N2C)ccc1[N+](=O)[O-] 1301592369 FMRDMTYSJAPZHL-UHFFFAOYSA-N 322.277 -0.074 5 10 DBBE O=C(COCC(F)F)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1356778022 VSXNHZWUDROQRO-HTQZYQBOSA-N 307.253 -0.740 5 10 DBBE CS(=O)(=O)CCCCNC(=O)Cn1cnc([N+](=O)[O-])n1 1461054833 SOFLIQXFHCHNOK-UHFFFAOYSA-N 305.316 -0.873 5 10 DBBE CCN(CC)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1703934926 QWRSAHVACWRTAK-WRWGMCAJSA-N 312.370 -0.243 5 10 DBBE O=C(O)CNC(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1858601691 WHVZBAQCHZLZOQ-UHFFFAOYSA-N 303.252 -0.333 5 10 DBBE CC1(CN=c2cc([N+](=O)[O-])cc(NN)[nH]2)CS(=O)(=O)C1 2152852121 ZKVWMLALTYMMLQ-UHFFFAOYSA-N 301.328 -0.456 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)c1cccc([N+](=O)[O-])c1N 2152955397 VHGDXYVQLPQMNE-ZCFIWIBFSA-N 302.312 -0.416 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2174117551 XJKRJOIZHBAHBQ-POYBYMJQSA-N 306.296 -0.680 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC([N+](=O)[O-])C2)c1 2191503146 NWNOURJQEFOTGL-UHFFFAOYSA-N 302.268 -0.173 5 10 DBBE NS(=O)(=O)CC1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 2295622711 QYFLNJJMYDJOBO-UHFFFAOYSA-N 300.296 -0.650 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCn2ccnn2)c1 128086506 KGOQHETXVLPWLZ-UHFFFAOYSA-N 312.311 -0.253 5 10 DBBE O=C(NC[C@@H]1CNC[C@H]1O)c1n[nH]c2ccc([N+](=O)[O-])cc12 262344877 TZSJIMSXYVCCHV-WRWORJQWSA-N 305.294 -0.219 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](O)CN1CCCCC1 269594347 NKUSFXHPLSTULC-NSHDSACASA-N 311.342 -0.246 5 10 DBBE COCCN1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O 368974002 MSXUMFYBXINBOP-UHFFFAOYSA-N 311.298 -0.361 5 10 DBBE C[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600655019 GJJHRWIINGYHAW-NKWVEPMBSA-N 318.311 -0.188 5 10 DBBE CNc1ncc([N+](=O)[O-])c(N2CC[C@@H](S(N)(=O)=O)C2)n1 707429073 QFSPXLQKLHZVOJ-ZCFIWIBFSA-N 302.316 -0.706 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@]1(F)CCS(=O)(=O)C1 1128216909 LZJQHKFHDIKNOX-SECBINFHSA-N 306.275 -0.206 5 10 DBBE CCNC(=O)N1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 1319323410 IOERIAVKMRAJEN-MRVPVSSYSA-N 311.302 -0.894 5 10 DBBE CN(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])CCS(C)(=O)=O 1558180323 JBSNEUWEEMPKQS-UHFFFAOYSA-N 319.343 -0.976 5 10 DBBE COC1(OC)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1O 1639790073 CRIJDFHSUVRORV-QMMMGPOBSA-N 300.271 -0.486 5 10 DBBE CCN(CCNC(=O)CC(N)=O)Cc1c([N+](=O)[O-])ncn1C 1663368296 YRDORPWBBHVTOC-UHFFFAOYSA-N 312.330 -0.858 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1cccn1 1704893130 BGSIGMMCBTZWBD-GHMZBOCLSA-N 309.326 -0.535 5 10 DBBE O=C(NC1(CCO)CN(Cc2ccon2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1734070387 GOBNAZGLIAXESB-GHMZBOCLSA-N 310.310 -0.607 5 10 DBBE Cc1nccn1CC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1745119460 NUYOOCIPLNDETC-GHMZBOCLSA-N 309.326 -0.569 5 10 DBBE CS(=O)(=O)C[C@@H]1CCN(c2nc(=N)[nH]cc2[N+](=O)[O-])C1 2143677254 QDJAWDNFHQAEJO-SSDOTTSWSA-N 301.328 -0.332 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)c1cccc([N+](=O)[O-])c1O 2152941312 QPAMAJLPVZXYOA-ZCFIWIBFSA-N 303.296 -0.293 5 10 DBBE C[C@@H](CS(N)(=O)=O)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] 2152952119 FZGNXYXALFGHAG-LURJTMIESA-N 302.312 -0.217 5 10 DBBE N=c1ccc([N+](=O)[O-])c(NCCNS(=O)(=O)C2CC2)[nH]1 2158559710 HMAJGRXXSWHTQO-UHFFFAOYSA-N 301.328 -0.104 5 10 DBBE Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CN)CO)c1C 2182585589 GDXKXYXMEOQOQF-SECBINFHSA-N 303.340 -0.190 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC2([C@H](O)CO)CC2)c1 2190118936 GPYYMFXKNLZFCI-SNVBAGLBSA-N 302.308 -0.241 5 10 DBBE CNS(=O)(=O)CCN=c1[nH]c(C(C)C)ncc1[N+](=O)[O-] 2281208220 OWNXTTKJYLMWTR-UHFFFAOYSA-N 303.344 -0.109 5 10 DBBE Cc1ncc([N+](=O)[O-])c(N[C@H]2CNC[C@@H]2S(C)(=O)=O)n1 2286625131 XFTMQJWFVXSZFV-CBAPKCEASA-N 301.328 -0.510 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1NC[C@@H](O)[C@H]1O 2357926534 JLIXTXLGPKIOHT-KXUCPTDWSA-N 301.686 -0.120 5 10 DBBE CCS(=O)(=O)N(C)Nc1nc(NN)nc(C)c1[N+](=O)[O-] 2365289927 KIHHGBDMWQMZPZ-UHFFFAOYSA-N 305.320 -0.413 5 10 DBBE CNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NCCC(N)=O 50656438 QLESMKJVJQFCDZ-UHFFFAOYSA-N 320.302 -0.071 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](N)[C@@H](C)O 80736667 NRADYYSEKGBVKK-RKDXNWHRSA-N 303.340 -0.110 5 10 DBBE CS(=O)(=O)[C@H]1CSCCN1c1ncnc(N)c1[N+](=O)[O-] 157027804 XWBNEZFLSVRPIA-LURJTMIESA-N 319.368 -0.109 5 10 DBBE CNC(=O)NC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 600230255 RJYXQJMGCBFKRJ-MRVPVSSYSA-N 311.298 -0.307 5 10 DBBE NNc1ncnc(N2CCS[C@@H](CCO)C2)c1[N+](=O)[O-] 719979944 WBUIBILMAPOODY-ZETCQYMHSA-N 300.344 -0.025 5 10 DBBE O=C1CS(=O)(=O)C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)N1 1124333540 IHYHFPNIJBFRBC-VIFPVBQESA-N 313.291 -0.554 5 10 DBBE O=C(N[C@H]1C[C@H](O)[C@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1471950483 KPSKMFMHZAXUQC-IJRMOIDVSA-N 324.289 -0.020 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1c(C)cnn1C 1496739370 GIQMLDOCSVLFLS-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE Cn1c(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnc1O 1533490828 CFDVBRUPYAEOSV-KHVQUVQLSA-N 323.309 -0.807 5 10 DBBE NC(=O)CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1=O 1642429998 AAQKMNZXVDEKPZ-UHFFFAOYSA-N 324.268 -0.496 5 10 DBBE CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1688020814 QWRSAHVACWRTAK-DDHJBXDOSA-N 312.370 -0.243 5 10 DBBE CCc1cc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 1704245206 SLBNJKGYJKFCKZ-GHMZBOCLSA-N 323.353 -0.164 5 10 DBBE CC(C)CO[C@H](CC(=O)N[C@H]1CONC1=O)C[N+](C)(C)C 1851745100 VMICFHQJDVZNDX-NEPJUHHUSA-O 302.395 -0.330 5 10 DBBE Cn1cc(C(=O)N2CC3(CNC(=O)O3)C2)cc([N+](=O)[O-])c1=O 1891455718 ZYPTWNTXZKXLGM-UHFFFAOYSA-N 308.250 -0.772 5 10 DBBE CCS(=O)(=O)N(C)CCN=c1cc(N)c([N+](=O)[O-])c[nH]1 2165862225 VKYJICSHQCZFKZ-UHFFFAOYSA-N 303.344 -0.313 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC[C@@H](O)[C@H](O)C2)c1 2188677337 FHMMSRPLHWHWRU-NXEZZACHSA-N 303.296 -0.894 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=NCCS(=O)(=O)C2CC2)[nH]1 2290139132 YWTWZDYSVAYAGY-UHFFFAOYSA-N 301.328 -0.741 5 10 DBBE O=C(O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 20557489 DZSAVWSENRTBEA-WPRPVWTQSA-N 316.291 -0.197 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 132289781 BMEFEVLSBQOKBB-ZCFIWIBFSA-N 302.312 -0.410 5 10 DBBE C[C@@](O)(CO)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 338630052 VHMYVXIJOVUQNI-ZDUSSCGKSA-N 312.278 -0.161 5 10 DBBE NC(=O)[C@@]1(O)CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 351631571 GJHKSWQNYUBSEH-CQSZACIVSA-N 323.305 -0.117 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CNC[C@H]2O)ccc1F 699962992 PJANGPUJAAGTGW-WCBMZHEXSA-N 305.287 -0.655 5 10 DBBE O=C(O)[C@H]1CNC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 725372885 BEFZTAOWVRUDBK-JGVFFNPUSA-N 315.307 -0.454 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)C[C@H](C)OC)n1 764194929 IDGQYEXVYXSEFB-ZETCQYMHSA-N 320.327 -0.094 5 10 DBBE COC(=O)[C@]1(OC)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 862743122 HNEIRACTXAHCIV-ZDUSSCGKSA-N 324.293 -0.024 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CC(NC2CCOCC2)C1 1155331792 OFUVMQRPCSJYGR-UHFFFAOYSA-N 309.326 -0.229 5 10 DBBE COc1ccc(C(=O)NCC(=O)N2CC[C@@H]2CO)cc1[N+](=O)[O-] 1156970199 OLJSCHKRXRWKJG-SNVBAGLBSA-N 323.305 -0.074 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCNC[C@@H]1C(F)F 1328523413 BDTVDIVXAMZQFZ-MRVPVSSYSA-N 316.264 -0.178 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCC(O)CC2)n1 1341682980 HKSKEYPXCOQHTH-UHFFFAOYSA-N 311.342 -0.095 5 10 DBBE C[C@H]1CS(=O)(=O)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1343832466 RPSDHJFXAHNKFY-ZETCQYMHSA-N 302.312 -0.413 5 10 DBBE O=C1NCCO[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]12 1650788627 NWDCOVWCQGMTME-WCBMZHEXSA-N 309.282 -0.563 5 10 DBBE CN=c1nc(NC2(C)CS(=O)(=O)C2)c([N+](=O)[O-])c(C)[nH]1 1918400950 TVEBHQXUGVJQRG-UHFFFAOYSA-N 301.328 -0.244 5 10 DBBE NCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 2143378746 HNYYFUKFDYGWNY-UHFFFAOYSA-N 303.296 -0.080 5 10 DBBE CN=c1[nH]c(NCC2(S(C)(=O)=O)CC2)ncc1[N+](=O)[O-] 2157675416 JYFQKOPLIJOXSU-UHFFFAOYSA-N 301.328 -0.163 5 10 DBBE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1cc([N+](=O)[O-])cs1 2200868245 XOBUZLZGICKSNE-MHSYXAOVSA-N 302.264 -0.713 5 10 DBBE CN=c1[nH]c(=NCC[S@](=O)CCOC)[nH]cc1[N+](=O)[O-] 2207019162 ULXRFWZADSLRHA-FQEVSTJZSA-N 303.344 -0.923 5 10 DBBE COC(=O)[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 36817942 DFODIVAHGDTVEV-QMMMGPOBSA-N 322.270 -0.454 5 10 DBBE CN(C)S(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cn1 577638321 OKJVHGOFOHOTFE-UHFFFAOYSA-N 317.327 -0.884 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](CO)O1 599287751 FNCCVUWQXPHHMF-SFYZADRCSA-N 320.327 -0.901 5 10 DBBE CNC(=O)[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCO1 615995050 SDWWBKHAAVLRRE-LLVKDONJSA-N 310.310 -0.380 5 10 DBBE CN(CCNS(C)(=O)=O)c1nc(NN)ccc1[N+](=O)[O-] 691095582 QGTRNPRBJMTCQV-UHFFFAOYSA-N 304.332 -0.739 5 10 DBBE C[C@H](O)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 717413962 GYQOZMKGZSXIQN-QUBYGPBYSA-N 308.287 -0.246 5 10 DBBE Cc1nc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nn1C 1118895624 XDIBCXOQDKGALC-UHFFFAOYSA-N 301.288 -0.434 5 10 DBBE C[C@@H]1NC(=O)[C@H](C)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1C 1144384712 IXAMFQXNKLBALF-AEJSXWLSSA-N 322.321 -0.120 5 10 DBBE O=C1NCCO[C@@H]2CCCN(C(=O)c3c[nH]nc3[N+](=O)[O-])[C@@H]12 1152823632 PXDPMZSJGFGYTN-RKDXNWHRSA-N 309.282 -0.563 5 10 DBBE CCOC(=O)[C@H](CO)NC(=O)c1nn(CC)cc1[N+](=O)[O-] 1295198197 KCHRBQJNUYIHDI-ZETCQYMHSA-N 300.271 -0.535 5 10 DBBE COc1cc(C(=O)N2CC(S(N)(=O)=O)C2)ccc1[N+](=O)[O-] 1299239357 BNEQQXVQHXUVDO-UHFFFAOYSA-N 315.307 -0.284 5 10 DBBE CCCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1481379645 GHTOYYSYTSJGMK-WUHRBBMRSA-N 324.381 -0.147 5 10 DBBE NNc1sc(S(=O)(=O)NCC2COC2)cc1[N+](=O)[O-] 2097857099 GLVYESNLYPGCHM-UHFFFAOYSA-N 308.341 -0.133 5 10 DBBE C[S@@](=O)(=NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCNC1 2159071246 ROGRRRRAVLBABS-FHZGZLOMSA-N 301.328 -0.222 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1O[C@@H]1CS(=O)(=O)C[C@H]1N 2177958918 LXEMUKBOZNBKDV-HTQZYQBOSA-N 304.328 -0.377 5 10 DBBE Cc1cc(S(=O)(=O)N[C@@H](CN)CO)cc([N+](=O)[O-])c1C 2182586602 WFBUWZXLKYRXQF-VIFPVBQESA-N 303.340 -0.190 5 10 DBBE C[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCNC1=O 2288923100 TWHMCGVUTFTECC-SNVBAGLBSA-N 300.296 -0.453 5 10 DBBE CN(C)CCNS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 37115601 ROQBPRGXOAUZAA-UHFFFAOYSA-N 303.344 -0.280 5 10 DBBE C[C@H]1CS(=O)(=O)CCN1c1cc([N+](=O)[O-])cc(NN)n1 235591700 TYXBUSQKUVCREW-ZETCQYMHSA-N 301.328 -0.101 5 10 DBBE CN1CCN(C)[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 264792559 SRSGYHYGSXVENP-JTQLQIEISA-N 308.342 -0.254 5 10 DBBE COC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 308272858 TWHVCXFYMCTZQX-UHFFFAOYSA-N 324.340 -0.127 5 10 DBBE COC(=O)c1cc(C)nc(NC[C@]2(O)CCN(C)C2)c1[N+](=O)[O-] 342832196 RIUXSVNGJZGGHG-CQSZACIVSA-N 324.337 0.563 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 596432561 HBIGJFIEFDXTMI-YUMQZZPRSA-N 302.312 -0.204 5 10 DBBE C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599299011 DBKJUOLBIKKHID-XPUUQOCRSA-N 317.327 -0.869 5 10 DBBE CCn1ncc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1 859250074 PRKQOSGFLHESDH-UHFFFAOYSA-N 315.315 -0.582 5 10 DBBE Cc1[nH]nc(C(=O)N2CC(O)(c3ccnn3C)C2)c1[N+](=O)[O-] 1153049018 WRFKRURAQAQQPQ-UHFFFAOYSA-N 306.282 -0.297 5 10 DBBE C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H]1CS(N)(=O)=O 1164260995 KLQHJVKMIRGUAW-SFYZADRCSA-N 301.328 -0.254 5 10 DBBE O=C1C[C@@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CN1 1324897714 BSJMGKNRIIEOPA-AWEZNQCLSA-N 320.305 -0.505 5 10 DBBE Cc1nn(C)c(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] 1327130115 WYQSMBQLIOMKEO-VHSXEESVSA-N 309.326 -0.472 5 10 DBBE CC(C)n1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1355592530 YHXVCGGWWQBTEW-MWLCHTKSSA-N 324.341 -0.288 5 10 DBBE CCN(C)C(=O)[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(C)C 1526578265 FYEKBENCOKQMPW-JTQLQIEISA-N 312.330 -0.195 5 10 DBBE CCOC[C@@H](C(=O)OC)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] 1596154106 XTWIJQCOWALLCA-QMMMGPOBSA-N 300.271 -0.032 5 10 DBBE NC1=CCN(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)N1 1626491834 UQECKLPYANVOML-UHFFFAOYSA-N 305.250 -0.350 5 10 DBBE O=C(NC1(CNCCn2cncn2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1714132686 AROYLOQMQRYBAQ-VXGBXAGGSA-N 322.369 -0.038 5 10 DBBE C[C@H]1[C@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 2126120754 WPBKRXPKCYSFSX-UJURSFKZSA-N 308.341 -0.304 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)C[C@]2(O)CNC[C@H]2O)c1 2157170459 AWSBUQIIUPEUJS-GHMZBOCLSA-N 302.308 -0.936 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NCCS(=O)(=O)CCOC)[nH]1 2238999372 NRYNPSQQHKVZRJ-UHFFFAOYSA-N 306.344 -0.294 5 10 DBBE O=C(O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302053 DNNCOJNUCLSUPA-POYBYMJQSA-N 317.279 -0.802 5 10 DBBE CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126978842 AOYLHUKHXCLRTG-SSDOTTSWSA-N 316.339 -0.020 5 10 DBBE COC(=O)[C@@H](CO)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] 138087557 LJYOYROTNHPMLU-MRVPVSSYSA-N 318.307 -0.056 5 10 DBBE Nc1cccc(S(=O)(=O)N[C@H]2CNC(=O)C2)c1[N+](=O)[O-] 229362824 DXSAPSLUUHVXMW-ZCFIWIBFSA-N 300.296 -0.656 5 10 DBBE Nc1nc(N2CCC(N3CCNC3=O)CC2)ncc1[N+](=O)[O-] 339035801 HREIHQXFMCXARQ-UHFFFAOYSA-N 307.314 -0.039 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CNC(=O)C1 358881847 DEFIKXGYZSDRLJ-SSDOTTSWSA-N 315.307 -0.230 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN2CCOC[C@@H]2C1 371787520 BVJVWXDIJHFXIZ-NSHDSACASA-N 309.326 -0.357 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COCC[C@@H]2O)cn1 710961448 MWZTZYUOQCEGQB-IUCAKERBSA-N 303.296 -0.582 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 1320057938 HQYLEYFFEJSHDR-SSDOTTSWSA-N 306.286 -0.139 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1nc[nH]n1 1581082639 QBZPTGYBBBSMJP-NXEZZACHSA-N 324.341 -0.633 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H](CO)[C@@H](CCO)C1 1607697678 HGOFRFQIKNTSEA-QWRGUYRKSA-N 312.326 -0.451 5 10 DBBE O=C1CN=C(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)N1 1654237607 FKBVUNWKIYJEGD-UHFFFAOYSA-N 314.261 -0.004 5 10 DBBE Cc1nccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1687003522 FRNSVXWZBUARHI-MWLCHTKSSA-N 307.310 -0.314 5 10 DBBE CCCN(CCNC(=O)c1ncn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688462775 HGCOUYLSGWCYML-NXEZZACHSA-N 324.341 -0.551 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1ccnn1 1704884990 JSBPRPRKGZYMHL-GHMZBOCLSA-N 324.341 -0.750 5 10 DBBE Cn1nccc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721810018 HKACIFMPEPQXFF-ONKIFHLLSA-N 307.310 -0.513 5 10 DBBE NNc1ccc(S(=O)(=O)N=c2nc[nH]s2)c([N+](=O)[O-])c1 2240953609 OMRUISKQVJALLT-UHFFFAOYSA-N 316.324 -0.045 5 10 DBBE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ncnc(Cl)c1[N+](=O)[O-] 2358565886 OVSYCFRJGGJALM-VMHSAVOQSA-N 304.690 -0.405 5 10 DBBE CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCNC(=O)C2)c1 50649862 RKKOBNQTMXAUOW-UHFFFAOYSA-N 314.323 -0.243 5 10 DBBE NCC(=O)N[C@@H](CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 71788477 YGNKCZSRIZYXAW-JTQLQIEISA-N 324.293 -0.158 5 10 DBBE Cc1cc(NN)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CCO 94780318 CSVYHXULABXZOC-UHFFFAOYSA-N 304.328 -0.198 5 10 DBBE Cn1cc([N+](=O)[O-])c(=O)n(Cc2csc(C(=O)O)n2)c1=O 111543949 AMGOVDCKIVVFQX-UHFFFAOYSA-N 312.263 -0.342 5 10 DBBE C[C@@H](O)[C@H](N)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 126846914 SSMUQFFMLCDLIM-HTRCEHHLSA-N 307.303 -0.280 5 10 DBBE CNc1ncc([N+](=O)[O-])cc1C(=O)NCCS(N)(=O)=O 234594844 LSCAEQBCPSQQBV-UHFFFAOYSA-N 303.300 -0.950 5 10 DBBE N[C@@H](CS(=O)(=O)NCc1ccccc1[N+](=O)[O-])C(=O)O 691686115 ZFPVUIGQGGCMTO-QMMMGPOBSA-N 303.296 -0.574 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]12COCCN1C(=O)OC2 1132714482 OCPQVXIDPJKLKU-ZDUSSCGKSA-N 324.293 -0.116 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(NS(C)(=O)=O)C2)n1 1147746941 VUDHIAXWSSMYJJ-UHFFFAOYSA-N 314.323 -0.328 5 10 DBBE NC(=O)[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C(N)=O 1196091748 BKGFRFSWYBIJED-AOOOYVTPSA-N 310.285 -0.248 5 10 DBBE CN(CCNC(=O)c1ccnnc1)Cc1c([N+](=O)[O-])ncn1C 1317460577 AUYIIJJDRHPHII-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE NC(=O)CN1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 1465852968 SSNGKEBIPAETIJ-UHFFFAOYSA-N 316.705 -0.786 5 10 DBBE CNC(=O)CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C 1481350890 RSXSDSZNZGJRHK-GHMZBOCLSA-N 300.359 -0.386 5 10 DBBE O=C1CC[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@H]2N1 1531747941 OSANDAJRPCMKKM-DTWKUNHWSA-N 308.298 -0.687 5 10 DBBE COCCN1C(=O)N[C@H]2CN(c3c([N+](=O)[O-])ncn3C)CC[C@@H]21 1615494072 VAXSGTJNGVOYHN-UWVGGRQHSA-N 324.341 -0.053 5 10 DBBE CN1CC2(CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)OC1=O 1642814900 KUXBFWLAXLSGGZ-UHFFFAOYSA-N 307.266 -0.271 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H]2CCCN2C[C@@H]1CO 1643803485 OVTCKPPYWMAKHS-CMPLNLGQSA-N 309.326 -0.541 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CCNC1=S 1648355082 SNXWPPSLBBWRGS-UHFFFAOYSA-N 312.355 -0.512 5 10 DBBE Nc1ncc(C(=O)NC[C@H]2CN3CCN2CC3)cc1[N+](=O)[O-] 1648669826 ULNBDLPKGZPAID-JTQLQIEISA-N 306.326 -0.698 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1N1CC(NS(N)(=O)=O)C1 1651332435 YPDIOAHUQDXFQI-UHFFFAOYSA-N 304.332 -0.899 5 10 DBBE CN(CCNCC(=O)NCc1ccco1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1713591622 RUHOLZWVZGPUPT-VXGBXAGGSA-N 324.337 -0.391 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1nccn1 1720603186 JKTUPBJZHMAHID-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc[n+]([O-])cc1 1759630081 FIJJZKOPWMKKOH-JZIZGNRHSA-N 320.305 -0.613 5 10 DBBE C[C@]1(O)CON(S(=O)(=O)c2ccc([N+](=O)[O-])cc2N)C1 2149796304 CFLWURNYHPRSHN-SNVBAGLBSA-N 303.296 -0.136 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)C[C@]2(O)CNC[C@@H]2O)cc1 2157172409 QWOPJZKUJHROTC-WDEREUQCSA-N 302.308 -0.936 5 10 DBBE COc1nc(N[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)ncc1[N+](=O)[O-] 2174663328 APHMRTMJVULKKG-UQWHLADISA-N 300.296 -0.152 5 10 DBBE NC(=O)CONS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235870778 IWEYRSSLZXNVFW-UHFFFAOYSA-N 311.222 -0.432 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]2[C@@H](O)CO)cn1 2286205536 CXQRIMBQISHVLQ-IUCAKERBSA-N 303.296 -0.894 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=NCC2CS(=O)(=O)C2)[nH]1 2286733169 BGGBKWGUGGANNZ-UHFFFAOYSA-N 302.312 -0.590 5 10 DBBE NNc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N 21035921 HYHHLCQXAFULOZ-UHFFFAOYSA-N 324.326 -0.084 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 110675083 WPTNZFQVIKOAMX-SSDOTTSWSA-N 314.323 -0.314 5 10 DBBE Cn1ncnc1NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 127397147 RUMXSTXMIHNDIE-UHFFFAOYSA-N 313.299 -0.190 5 10 DBBE CO[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131342564 PWMRYWBAXUBNSF-KOLCDFICSA-N 319.314 -0.001 5 10 DBBE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1=O 374143521 TZQYPGYSGFKPEJ-FXPVBKGRSA-N 307.310 -0.083 5 10 DBBE CCn1cc(S(=O)(=O)N2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])n1 492358424 RQPYTDCCKKPOIY-VIFPVBQESA-N 316.339 -0.043 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](CO)O1 599287752 FNCCVUWQXPHHMF-YUMQZZPRSA-N 320.327 -0.901 5 10 DBBE CCOC[C@H](O)CN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 609258104 JXKNWCUNXYSUNM-LLVKDONJSA-N 313.358 -0.152 5 10 DBBE CCn1cc([N+](=O)[O-])cc1C(=O)N(C)CCS(N)(=O)=O 719421824 MDSSBNVUQRZOFZ-UHFFFAOYSA-N 304.328 -0.223 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCN2C(=O)CCCC2=O)n1 1147558846 DYZFMONZEMPWNH-UHFFFAOYSA-N 309.282 -0.403 5 10 DBBE COC(=O)C1(O)CN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 1152813535 QPEDIXLFSGBTEB-UHFFFAOYSA-N 310.262 -0.280 5 10 DBBE CC(C)(O)CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1579135951 VCAAJYDPIYHHQS-GPTQDWHKSA-N 311.338 -0.614 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC(OCCO)C1 1965789120 UGXHXDKHBGEAGK-UHFFFAOYSA-N 302.308 -0.023 5 10 DBBE NS(=O)(=O)NCCNc1ccc(C(=O)O)c([N+](=O)[O-])c1 2157526566 XVRPSDGTVJNKTM-UHFFFAOYSA-N 304.284 -0.502 5 10 DBBE Cn1cc([N+](=O)[O-])c(C[C@]2(C(=O)O)CCCS2(=O)=O)n1 2159111029 JLPQFBAHQXAQKG-JTQLQIEISA-N 303.296 -0.097 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@](C)(N)CO)cc1[N+](=O)[O-] 2181128636 ILDWYKZYHXDCKJ-NSHDSACASA-N 303.340 -0.109 5 10 DBBE C[C@@]1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS(=O)(=O)C1 44929822 ACBVRNABBKJEBS-GHMZBOCLSA-N 318.355 -0.681 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC(=O)N1 79937853 FQXONCMAAAQNBP-SSDOTTSWSA-N 314.323 -0.266 5 10 DBBE NC(=O)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 557803651 RFLDHHNPJXQFSS-UHFFFAOYSA-N 308.298 -0.693 5 10 DBBE C[C@H](N)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 595108181 IVEJIDGZRWDSFI-WPRPVWTQSA-N 316.339 -0.274 5 10 DBBE CN(C)C[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 716778210 JSDPOLYBKBNHGA-SECBINFHSA-N 303.340 -0.204 5 10 DBBE O=C1C[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CN1 1261513482 WGXDPXCFCCUBJZ-ZETCQYMHSA-N 300.296 -0.596 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(S(C)(=O)=O)CC2)n1 1323393333 YZJBQBFHRTWWRD-UHFFFAOYSA-N 317.327 -0.954 5 10 DBBE COCCOCCN(CCO)C(=O)c1nn(C)cc1[N+](=O)[O-] 1329177569 XCVGUMWEVCTWGJ-UHFFFAOYSA-N 316.314 -0.574 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CS(C)(=O)=O)n1 1353399409 MTZBRMRXRZELIH-ZETCQYMHSA-N 304.328 -0.026 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(N3CCNC3=O)CC2)n1 1544867902 WRZUQDDLWKRGED-UHFFFAOYSA-N 322.325 -0.042 5 10 DBBE NC(=O)C1(O)CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 1640277311 ATFAVBDNRLNOFU-UHFFFAOYSA-N 320.305 -0.477 5 10 DBBE O=[N+]([O-])c1ccn(CCN2CCN(Cc3nc[nH]n3)CC2)n1 1646573473 PGXFQPHVQRXWPT-UHFFFAOYSA-N 306.330 -0.273 5 10 DBBE O=C(COCC(F)F)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1703914199 UCZDMSRUFNPVQM-FNCVBFRFSA-N 321.280 -0.303 5 10 DBBE CN1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](O)C1 2146515900 SCAPMQDHYYWDFT-WDEREUQCSA-N 301.324 -0.452 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2COC2)c1 2154130313 JRKAHEYGUMWGJF-UHFFFAOYSA-N 302.312 -0.195 5 10 DBBE NCCOCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2156032313 ZWEUJYZKOLLEMF-UHFFFAOYSA-N 307.303 -0.013 5 10 DBBE COC1(CO)CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2157307415 HREMTLGYIGYAFP-UHFFFAOYSA-N 303.296 -0.628 5 10 DBBE CN=c1[nH]c(N2CCCS(=O)(=O)CC2)ncc1[N+](=O)[O-] 2157682606 ULPBXYQKEFBDGX-UHFFFAOYSA-N 301.328 -0.527 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1Nc1nccc(N)c1[N+](=O)[O-] 2207471054 OIDYHSHPGOSDRL-JGVFFNPUSA-N 302.312 -0.204 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NCCOC2CNC2)c1 2362238769 JUDUUIHZCPKBIZ-UHFFFAOYSA-N 301.324 -0.139 5 10 DBBE COC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1Cl 234520597 GBZHMMUYLFJZHQ-SSDOTTSWSA-N 303.658 -0.093 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1C[C@H]2COC[C@@H](C1)O2 338048890 SHESPCBRDCHRCQ-PHIMTYICSA-N 311.298 -0.400 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN([C@H]2CCC[C@H]2O)CC1 609285941 SWMCKUGLKYTDCI-WDEREUQCSA-N 324.341 -0.756 5 10 DBBE NCCCOCCNS(=O)(=O)c1cncc([N+](=O)[O-])c1 698620016 SZAXRXRLTHWAHO-UHFFFAOYSA-N 304.328 -0.367 5 10 DBBE C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)N(C)C 761982625 MBMMGNLBQZLPIY-MRVPVSSYSA-N 324.293 -0.261 5 10 DBBE CN1CC[C@H](C(=O)OCCn2cc([N+](=O)[O-])cn2)S1(=O)=O 830158424 PXRIKFWWMBKBMK-SECBINFHSA-N 318.311 -0.632 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2cnccn2)n1 859096217 LSICHRDZZOFGEQ-UHFFFAOYSA-N 312.311 -0.361 5 10 DBBE CC(C)(COC(=O)Cn1cnc([N+](=O)[O-])n1)S(C)(=O)=O 1342574411 JHADZCFXROITFM-UHFFFAOYSA-N 306.300 -0.447 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCc2c(O)ncnc2C1 1447685991 LRGJOQJBPQTKEL-UHFFFAOYSA-N 304.266 -0.128 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCS(=O)(=O)CC1 1543124579 RHXNVZJYALSAQR-UHFFFAOYSA-N 302.312 -0.411 5 10 DBBE CCNC(=O)CNCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 1567998218 FGHIGXNAWXYAFX-GHMZBOCLSA-N 312.370 -0.194 5 10 DBBE CN(CC1CNC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 1914331887 BNYSXPSRYZJWQY-UHFFFAOYSA-N 300.340 -0.102 5 10 DBBE CN1[C@@H](CN=c2ccc(N)c([N+](=O)[O-])[nH]2)CCS1(=O)=O 2145342887 AGYPUAWOWBEVSM-SSDOTTSWSA-N 301.328 -0.560 5 10 DBBE Nc1nc[nH]c(=NC[C@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-] 2146114126 QJHYAUODYXYENE-SSDOTTSWSA-N 301.328 -0.374 5 10 DBBE CN(CCS(=O)(=O)N(C)C)c1ncc([N+](=O)[O-])c(=N)[nH]1 2157640318 QOVPNOKXWVQYNV-UHFFFAOYSA-N 304.332 -0.875 5 10 DBBE COCc1cc([N+](=O)[O-])ccc1NCCNS(N)(=O)=O 2205293969 JFGFOASEGDVZIY-UHFFFAOYSA-N 304.328 -0.054 5 10 DBBE CO[C@@H]1[C@H](O)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2286721476 ZXSSXFMRZXXBKR-MRTMQBJTSA-N 303.296 -0.584 5 10 DBBE O=C(O)[C@@H](CO)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 21804534 HTWSAQYYBPEGQT-SSDOTTSWSA-N 308.243 -0.542 5 10 DBBE NS(=O)(=O)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 40383142 FBFAXMGLTSCZKZ-UHFFFAOYSA-N 301.324 -0.068 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N(CCO)CCO 40751787 LYYAOZXGAXNGFW-UHFFFAOYSA-N 308.287 -0.291 5 10 DBBE NS(=O)(=O)CCS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 70214156 JWSBUVZEDXTBJY-UHFFFAOYSA-N 312.300 -0.204 5 10 DBBE COCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 70302126 MRLXWIBUOIKFMO-QMMMGPOBSA-N 319.295 -0.242 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 136193288 VLTZYQIIVXKKCS-LURJTMIESA-N 303.296 -0.157 5 10 DBBE O=C1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 427925438 UMFUYPNBJOUULZ-UWVGGRQHSA-N 323.309 -0.217 5 10 DBBE NS(=O)(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCNC1=O 691715584 OWMRFRTVSBXGHW-QMMMGPOBSA-N 301.280 -0.491 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1nccc(N)c1[N+](=O)[O-] 697049723 BQWFZWZZWABBKN-YUMQZZPRSA-N 302.312 -0.204 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)[C@@H](O)CO 704947952 RHWNGHSLWMGMFO-WKEGUHRASA-N 306.296 -0.680 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(N2CC[C@@H](O)C2)CC1 1334781479 AMTHVAIFRJCYDO-LLVKDONJSA-N 323.353 -0.001 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCC(CS(N)(=O)=O)CC1 1458166115 HJAWZOAUIUTFCJ-UHFFFAOYSA-N 303.344 -0.167 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(NC(N)=O)CC1 1586979424 DVKHUNQQRJEUQT-UHFFFAOYSA-N 310.314 -0.241 5 10 DBBE COCCO[C@H]1C[C@H](CO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1634456476 ORRBVLUTAUJUFL-NNYUYHANSA-N 302.327 -0.476 5 10 DBBE CO[C@@H](CN)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2365474173 KSYOIHHYHNBVBW-QMMMGPOBSA-N 307.303 -0.014 5 10 DBBE CC[C@@H](CO)N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 128153401 SNIHAIMWRGFRHN-JTQLQIEISA-N 311.342 -0.143 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCN1CC2 185565229 MHYURWLKHXIAJA-JTQLQIEISA-N 306.326 -0.698 5 10 DBBE COc1ccc(CNC(=O)CN2CC(=O)NC2=O)cc1[N+](=O)[O-] 264699260 BNVCRBHOWXJFEE-UHFFFAOYSA-N 322.277 -0.229 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](O)CO1 312808545 RPEFNTGUFVHWQZ-MRVPVSSYSA-N 304.280 -0.100 5 10 DBBE O=[N+]([O-])c1cnc2ccc(NCCCn3cc(CO)nn3)nn12 357593632 HRICDBPPTWUPAL-UHFFFAOYSA-N 318.297 0.224 5 10 DBBE CN1CCOC[C@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 599453536 ULWKMMAPEYYTNQ-SECBINFHSA-N 316.339 -0.401 5 10 DBBE COC(=O)[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 600377107 OGYQKLUBAUXTTG-BDAKNGLRSA-N 312.282 -0.420 5 10 DBBE O=C(O)[C@]1(c2ccnc(O)c2[N+](=O)[O-])CCS(=O)(=O)C1 695447258 AWSKIRYLNHKJJI-SNVBAGLBSA-N 302.264 -0.164 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NCC[C@H]1CNCCS1(=O)=O 721807364 NPOIYPCJNFYAFT-QMMMGPOBSA-N 303.344 -0.483 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3OCCN[C@@H]3C2)cc1 725374380 KJQKVBYUNYMSHT-NEPJUHHUSA-N 313.335 -0.044 5 10 DBBE O=C(NC[C@]12COCCN1C(=O)OC2)c1ccc([N+](=O)[O-])cn1 1132714871 ZAIWJUKXLKNDCQ-CYBMUJFWSA-N 322.277 -0.059 5 10 DBBE CC(=O)N(C)CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1298037413 CZXUAHZWZPQLIV-GHMZBOCLSA-N 314.342 -0.953 5 10 DBBE Cc1ncccc1CNCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1326024307 SSCKOYVJYVQILT-ZIAGYGMSSA-N 322.365 -0.034 5 10 DBBE O=C1NC(=O)C2(CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)N1 1457161332 MWLCROWOQMHAIC-UHFFFAOYSA-N 322.252 -0.303 5 10 DBBE CCCN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1497223858 AIRKPTPXLPMHRP-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE Cn1cc(S(=O)(=O)NCCn2ccnc2[N+](=O)[O-])cn1 1656812074 AFVQNXJRRWXCQG-UHFFFAOYSA-N 300.300 -0.497 5 10 DBBE CN1CCC(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1686589603 WCAQRENHIMJVTF-VXGBXAGGSA-N 312.370 -0.384 5 10 DBBE CN(C(=O)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1691783151 UZOVPIUCCZNNRK-FPQZTECRSA-N 324.381 -0.243 5 10 DBBE CN(CCNC(=O)c1ccc(O)nc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1745250190 DKWUORSXKSNKCI-NXEZZACHSA-N 308.294 -0.359 5 10 DBBE Cn1ccc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1759889607 IOUNXBHJJQSAHS-PSASIEDQSA-N 307.310 -0.536 5 10 DBBE CN(CCN)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 2162607069 KYKKFRQDPSWRAC-UHFFFAOYSA-N 303.296 -0.128 5 10 DBBE O=c1c([N+](=O)[O-])cccn1CC1(O)CCS(=O)(=O)CC1 2169655601 DBCGHDZMUVTRSR-UHFFFAOYSA-N 302.308 -0.304 5 10 DBBE CCS(=O)(=O)CCN(C)c1nc(=NC)[nH]cc1[N+](=O)[O-] 2170437295 LVZATCYDKVEESZ-UHFFFAOYSA-N 303.344 -0.281 5 10 DBBE NNc1ccc([N+](=O)[O-])c(NCCCNS(N)(=O)=O)c1 2206796328 REWLFVDOIAJEQO-UHFFFAOYSA-N 304.332 -0.525 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289409432 XFWLHVMRFJRQEZ-KDILMLJESA-N 302.308 -0.558 5 10 DBBE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1C(=O)c1cc([N+](=O)[O-])cs1 2357883139 XOBUZLZGICKSNE-LPBLVHEISA-N 302.264 -0.713 5 10 DBBE CN(C)S(=O)(=O)c1ccc(N2CC(N)C2)c([N+](=O)[O-])c1 87590212 LCIXHGQSKIIJSW-UHFFFAOYSA-N 300.340 -0.008 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 136252174 LMADUBVSXFFLJC-ZCFIWIBFSA-N 302.312 -0.281 5 10 DBBE COC[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)O 158647563 CCPHCCGWALAXOO-QMMMGPOBSA-N 319.295 -0.246 5 10 DBBE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])o1 347377052 DCBXFCNZDCXPTK-QMMMGPOBSA-N 324.293 -0.345 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN3CCOC[C@@H]3C2)c1 348767305 VZXHTUVSLYNUGQ-STQMWFEESA-N 311.342 -0.831 5 10 DBBE CCc1nn(C)c(OC)c1CNC(=O)Cn1cnc([N+](=O)[O-])n1 357842188 UJSKVWBQFPVUBD-UHFFFAOYSA-N 323.313 -0.193 5 10 DBBE Cn1ccc([C@@H]2NC(=O)N(CCn3cc([N+](=O)[O-])cn3)C2=O)n1 431860203 POOGXQVKQKQNEY-JTQLQIEISA-N 319.281 -0.182 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 532398395 QPPLQHNACORABI-QMMMGPOBSA-N 314.323 -0.247 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](Cn2ccnn2)C1 597904333 RHMJBQALVFZYOD-SNVBAGLBSA-N 305.298 -0.069 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCNC2CC2)n1 599106294 DZGHKSKUFHZVCJ-UHFFFAOYSA-N 303.344 -0.251 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCn2ccnn2)n1 599274564 AWIHHIATWVSBAE-UHFFFAOYSA-N 315.315 -0.712 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1CC12CC(CO1)C2 716131512 GADHBCKAHWIXEM-UHFFFAOYSA-N 302.312 -0.074 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCn3ccnc32)n1 859172372 FQYGYGDGIOGOHL-ZETCQYMHSA-N 312.311 -0.052 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1299144470 SPDHVCQZBGSGFD-ZYUZMQFOSA-N 304.324 -0.934 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2nccnn2)CC1 1329160177 CASIXFBXRNFEQX-UHFFFAOYSA-N 318.297 -0.524 5 10 DBBE Cc1nn(C)c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1[N+](=O)[O-] 1558906268 UBKCVYONPOOOKV-NSHDSACASA-N 316.339 -0.056 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCN1C[C@@H]2CC[C@H](C1)O2 1640849571 JUMLEOXCIBSDGH-AOOOYVTPSA-N 310.314 -0.834 5 10 DBBE CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(CC(N)=O)CC1 1731383949 LTXWMKOHYSZVHJ-VXGBXAGGSA-N 312.370 -0.160 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1COC[C@@H]1N 2149987803 NIBOTBIXIBQQBM-IUCAKERBSA-N 301.324 -0.092 5 10 DBBE NC(=O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)CC1 2159813547 YGDCYFVQWAIXNH-UHFFFAOYSA-N 300.296 -0.527 5 10 DBBE CS(=O)(=O)CCN(c1ncc([N+](=O)[O-])c(=N)[nH]1)C1CC1 2170164469 RZIAMVMBUUSARN-UHFFFAOYSA-N 301.328 -0.189 5 10 DBBE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1nc(=N)[nH]cc1[N+](=O)[O-] 2170283344 MFINJNQHBMFRNZ-RNFRBKRXSA-N 301.328 -0.191 5 10 DBBE NC[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F 2182585936 JSKWLENOMYPZPU-YFKPBYRVSA-N 311.266 -0.529 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCOC1 131584777 RJSPHXHMVGDJPR-ZETCQYMHSA-N 302.312 -0.052 5 10 DBBE CN(c1nc(NN)ncc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 234323707 IQVPLNBQAXQWHX-ZCFIWIBFSA-N 302.316 -0.706 5 10 DBBE CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1=O 593234633 KTDKADABSGBICL-UHFFFAOYSA-N 321.337 -0.164 5 10 DBBE Cc1nn(C)c(NC2CN(S(=O)(=O)N(C)C)C2)c1[N+](=O)[O-] 599182497 KFBNPUQQTAOQSP-UHFFFAOYSA-N 318.359 -0.461 5 10 DBBE C[C@H]1CS(=O)(=O)C[C@@H]1Nc1nc(NN)ncc1[N+](=O)[O-] 712255772 UKFDYDZCCSICPG-WDSKDSINSA-N 302.316 -0.485 5 10 DBBE CCS(=O)(=O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 849373217 MORCTFGOTHOZHF-UHFFFAOYSA-N 323.352 -0.297 5 10 DBBE CN(C)C(=O)O[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1522382399 HDYFTQDLRAJOQJ-QMMMGPOBSA-N 312.286 -0.515 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)n1 1533330274 BVBBAQIMRBJBFP-LJGSYFOKSA-N 302.312 -0.366 5 10 DBBE O=C1NC[C@H](O)CC12CN(c1nc3sccn3c1[N+](=O)[O-])C2 1559280475 HZSZHYZNFPRXRN-SSDOTTSWSA-N 323.334 -0.009 5 10 DBBE COC1(OC)CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1O 1570616630 UXKKWMLHKNAULO-VIFPVBQESA-N 314.298 -0.476 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)Cc1ncc[nH]1 1731967088 VDLMPXUVUOTSBB-UHFFFAOYSA-N 321.341 -0.158 5 10 DBBE CCN(CCNC(=O)c1cc(C)[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758991737 OWLBZNCHKSMDBN-MWLCHTKSSA-N 309.326 -0.038 5 10 DBBE Cc1nc[nH]c1CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759556809 BXGWNFIRDWKPHM-ZYHUDNBSSA-N 323.353 -0.157 5 10 DBBE NS(=O)(=O)NCCCNC(=O)c1cccc([N+](=O)[O-])c1 2157532301 MIMDEVYPYCCFFE-UHFFFAOYSA-N 302.312 -0.492 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NCC[C@@H](O)CO)c1 2182245420 WNFZOKOWVRKIHZ-MRVPVSSYSA-N 308.287 -0.245 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1cc(N)cc([N+](=O)[O-])c1 2192658498 LZBYNVRAWHGSNM-QWRGUYRKSA-N 300.340 -0.026 5 10 DBBE CCOC(=O)[C@@H](N)C[S@](=O)Cc1nn(C)cc1[N+](=O)[O-] 2195291903 PATNCDXFZXCHJH-JKNYTWMOSA-N 304.328 -0.533 5 10 DBBE COCCNC(=O)CN1C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])nc21 75257852 VYCXCYRMYCEPBL-QMMMGPOBSA-N 324.293 -0.134 5 10 DBBE CCNc1nnc(Cn2c(=O)c([N+](=O)[O-])cn(C)c2=O)s1 157077154 KRTALUMQKKXNFY-UHFFFAOYSA-N 312.311 -0.213 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CNC[C@@H]1O 262094623 DHHPRZBJVGHZIN-UFBFGSQYSA-N 313.285 -0.191 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCn2ncnn2)s1 360114722 IMOIOXAJXXJSQN-UHFFFAOYSA-N 304.313 -0.379 5 10 DBBE O=[N+]([O-])c1ccc2[nH]c(=NC[C@H](O)Cn3ccnn3)[nH]c2c1 413440776 SGFMDJIRJNWPNR-VIFPVBQESA-N 303.282 -0.043 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C3CC3)CC2)n1 599226427 XLSAXVXZQMYUDY-UHFFFAOYSA-N 315.355 -0.203 5 10 DBBE C[C@@](O)(CO)CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 798264686 SDKFVMJMUUWLHA-OCCSQVGLSA-N 323.305 -0.053 5 10 DBBE COC(=O)N1CC(NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 849382291 SHYUMZINPUAHBF-UHFFFAOYSA-N 316.295 -0.281 5 10 DBBE O=C(NC/C=C\CO)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1146722029 ZVXQNDDWGWRCME-UPHRSURJSA-N 304.266 -0.151 5 10 DBBE CN(CCOCCNC(=O)c1ccc[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1280900110 HSZNWJBUEMQXEV-ZYHUDNBSSA-N 324.337 -0.115 5 10 DBBE CCOCC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1281376338 QUHAUXMIKDHKRK-VXGBXAGGSA-N 311.338 -0.037 5 10 DBBE CN(CCCNC(=O)c1csnn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1283601672 WYTYOACXVJCDOG-VXNVDRBHSA-N 313.339 -0.218 5 10 DBBE Cc1c[nH]cc([N+](=O)[O-])c1=NC1CN(S(=O)(=O)N(C)C)C1 1348123481 QIAUCMSLYZQEHI-UHFFFAOYSA-N 315.355 -0.377 5 10 DBBE CCc1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 1349728411 JERCYMURJFVKOM-MWLCHTKSSA-N 309.326 -0.127 5 10 DBBE O=C1CC2(CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)N1 1442654844 CMKGZEARFXBDJR-UHFFFAOYSA-N 320.305 -0.362 5 10 DBBE O=C(NC1CCN([C@@H]2CCOC2=O)CC1)c1c[nH]nc1[N+](=O)[O-] 1446596358 OFKMDDNUCCBOQJ-SNVBAGLBSA-N 323.309 -0.172 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C1CN([C@@H]2CCOC2)C1 1635754736 AGLHRDCCCNWGBD-LLVKDONJSA-N 309.326 -0.372 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 1637479555 GZZSHFNJTXOMKR-HTQZYQBOSA-N 314.323 -0.175 5 10 DBBE O=C1NCCO[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@@H]12 1650788624 NWDCOVWCQGMTME-PSASIEDQSA-N 309.282 -0.563 5 10 DBBE CCC(=O)N(C)CCOCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1685109421 WXDJJMIYGGDKEP-GHMZBOCLSA-N 301.343 -0.005 5 10 DBBE COC[C@@](CN)(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1919757154 IYZUNQIPNQPFTJ-ZETCQYMHSA-N 324.091 -0.666 5 10 DBBE Nc1ncnc(N2CC[C@@H](CS(N)(=O)=O)C2)c1[N+](=O)[O-] 2144386378 FNOMSUWLIZGQFT-ZCFIWIBFSA-N 302.316 -0.918 5 10 DBBE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 2286049616 VTZNAVRJAWMGPQ-VIFPVBQESA-N 303.296 -0.163 5 10 DBBE CO[C@@H](CN)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2365426815 KCWUMXZZUQQWQM-JTQLQIEISA-N 303.340 -0.012 5 10 DBBE CC(C)(NS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F)C(N)=O 50676888 VYTOLQPEMBPBLS-UHFFFAOYSA-N 320.302 -0.142 5 10 DBBE COC[C@@H](O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50677968 KJMRWVMBANRZEZ-VIFPVBQESA-N 319.339 -0.195 5 10 DBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cn[nH]n1 170210039 NFFJQJQZKKPGBJ-UHFFFAOYSA-N 316.233 -0.052 5 10 DBBE CC(C)(C)S(=O)(=O)CCn1cc([N+](=O)[O-])c(=O)[nH]c1=O 231162788 YIJSOQYMTAKKMR-UHFFFAOYSA-N 305.312 -0.342 5 10 DBBE Cc1[nH]nc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1[N+](=O)[O-] 348580953 ZPZBYERTQRDFFY-LURJTMIESA-N 302.312 -0.115 5 10 DBBE NC(=O)C[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 441512932 RLPVPRBKGYUKRG-ZYHUDNBSSA-N 311.342 -0.118 5 10 DBBE CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593541965 CYJLWEIZHJJMKC-VIFPVBQESA-N 314.323 -0.111 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCNCC2)n1 599108788 ODSDSDIMJNQUJX-QMMMGPOBSA-N 303.344 -0.251 5 10 DBBE O=C1NC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 725373823 XELOHEJSGNQJJF-KWQFWETISA-N 311.319 -0.039 5 10 DBBE O=C(CN1CCNC(=O)C1)NCCc1cccc([N+](=O)[O-])c1 1153291050 SWEUIADEMATZHJ-UHFFFAOYSA-N 306.322 -0.315 5 10 DBBE CC(=O)NC[C@H]1CN(CCn2c([N+](=O)[O-])cnc2C)CCO1 1191132243 JOASYFHJCRAEMA-LBPRGKRZSA-N 311.342 -0.063 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC1CN(c2ccncn2)C1 1302707786 XDEZYXYHRHPJEA-UHFFFAOYSA-N 303.282 -0.414 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1F 1472184225 DSKGXGYZPXESNS-MRVPVSSYSA-N 320.298 -0.131 5 10 DBBE CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1578561810 IBHDKZTWDGUVAO-DDHJBXDOSA-N 312.370 -0.245 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCO[C@H](C)C1 1610963599 PYEOFLYEGRGWEG-SNVBAGLBSA-N 311.342 -0.063 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2nn[nH]n2)C1 1632986844 UWGWVPUWIWVHBT-MRVPVSSYSA-N 319.281 -0.714 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@]2(CO)COCCN2)n1 1642788509 WRXAAPYVXCQDKR-CYBMUJFWSA-N 310.310 -0.621 5 10 DBBE N[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2149990008 YMVAYGNSACOUBL-ZJUUUORDSA-N 301.324 -0.260 5 10 DBBE Cc1nc(CO[C@H]2CS(=O)(=O)C[C@H]2N)ccc1[N+](=O)[O-] 2177961297 FICJBYKVXBGXTQ-KOLCDFICSA-N 301.324 -0.061 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1ncnc(F)c1[N+](=O)[O-] 2192658871 QZCGZVCXMWBYQR-WDSKDSINSA-N 305.291 -0.679 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 159062460 RDJMNILUOJFAOK-GOSISDBHSA-N 307.353 -0.166 5 10 DBBE CO[C@@](C)(CO)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 594486184 XCEKMTUYZCKDHG-SNVBAGLBSA-N 305.312 -0.335 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C(=O)NCC2(C)C)n1 599351048 VOHOONPGMZNRJV-ZETCQYMHSA-N 317.327 -0.869 5 10 DBBE Cc1nc(NN)nc(NC[C@H](C)S(C)(=O)=O)c1[N+](=O)[O-] 697565632 SBVGOBCVFSGNRD-YFKPBYRVSA-N 304.332 -0.176 5 10 DBBE CCN(CC(=O)NC)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 845820040 VVNMOUCLEVBHBW-UHFFFAOYSA-N 302.312 -0.254 5 10 DBBE O=C(CCn1ccnc1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1284054213 MGPZEPNIDOOCIU-DDHJBXDOSA-N 321.337 -0.298 5 10 DBBE Cc1nc(NC2CN(S(=O)(=O)N(C)C)C2)ncc1[N+](=O)[O-] 1329208580 OKXDFVOLLPZXQW-UHFFFAOYSA-N 316.343 -0.404 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 1471415306 IXXFDMXSFUTSIQ-UHFFFAOYSA-N 310.262 -0.037 5 10 DBBE COC(=O)[C@H]1CN(C)C(=O)CN1Cc1onc(C)c1[N+](=O)[O-] 1473859078 WZSLUWVGFVJQSM-MRVPVSSYSA-N 312.282 -0.293 5 10 DBBE Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1632818350 ACWGDEKWMAXYCC-KHPHAOCHSA-N 312.351 -0.283 5 10 DBBE Cc1ccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(O)n1 1758172047 QCASFIGPUSFEAN-GHMZBOCLSA-N 322.321 -0.003 5 10 DBBE COc1ncnc(NC[C@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 2146224065 LHYINSYLTNPXCZ-ZCFIWIBFSA-N 303.300 -0.503 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 2152941713 SQSVELYRSQLFQM-ZCFIWIBFSA-N 303.296 -0.293 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN[C@H]2CCN(S(C)(=O)=O)C2)n1 2159125341 XNVRSKTWQJEPNR-QMMMGPOBSA-N 303.344 -0.548 5 10 DBBE N[C@H]1C[C@H](O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 2168115189 LDGOPXQJYLGJKG-WPRPVWTQSA-N 301.324 -0.323 5 10 DBBE N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 2168117106 NBGBJSDCZFHSPB-RKDXNWHRSA-N 301.324 -0.323 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] 2206725842 TYXKELOCKLKMMW-MWLCHTKSSA-N 300.340 -0.026 5 10 DBBE NC(CO)(CO)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 2286181014 PMYXDLIRCOXXNY-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 50692000 FOOCXGWUIBAGDZ-ZETCQYMHSA-N 316.339 -0.020 5 10 DBBE CCc1nn(C)c(NC[C@H](O)CN2CCOCC2)c1[N+](=O)[O-] 94132245 WBIAUTHIVSESRN-JTQLQIEISA-N 313.358 -0.004 5 10 DBBE CN1CCN(NS(=O)(=O)c2cccc(N)c2[N+](=O)[O-])CC1 127056501 FKOBTHOXXCTDGT-UHFFFAOYSA-N 315.355 -0.382 5 10 DBBE CN(CC(=O)NC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 173502708 MQDYLVMANYATSG-LLVKDONJSA-N 313.358 -0.001 5 10 DBBE CNS(=O)(=O)CCNc1cc(C(=O)O)c([N+](=O)[O-])cn1 231014592 VMKVTFBIMHTLIA-UHFFFAOYSA-N 304.284 -0.351 5 10 DBBE NC(=O)[C@@]1(O)CCN(c2ncnc3ccc([N+](=O)[O-])cc23)C1 319165107 GMHLWZIHTSMSBQ-CYBMUJFWSA-N 303.278 -0.036 5 10 DBBE Cc1nn(C)c(C(=O)N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] 544695967 XLULWARPGJJCSQ-SNVBAGLBSA-N 309.326 -0.207 5 10 DBBE CN(C)CCCN(C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 597990181 QGGYLJZCIBTVTI-UHFFFAOYSA-N 313.362 -0.814 5 10 DBBE COC(=O)[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599219726 GWYUJLAHGSRTTM-SSDOTTSWSA-N 318.311 -0.488 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)n1 1302876550 HAUWQFVQPBWRAQ-ONGXEEELSA-N 323.309 -0.552 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1319718382 RTLIHRXZJSXBFD-LURJTMIESA-N 303.300 -0.918 5 10 DBBE CS(=O)(=O)CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 1335588510 FQKWSRPGGUBRSW-UHFFFAOYSA-N 317.327 -0.778 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@H](C2OCCO2)C1 1596379447 RMYCBPVDQFICMW-SNVBAGLBSA-N 323.305 -0.022 5 10 DBBE CC(=O)NC1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1627280944 JPGWOJQCKKZIAK-UHFFFAOYSA-N 322.321 -0.116 5 10 DBBE Cc1nn(C)c(C(=O)N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] 1641884802 BQNDCHVGPLAQCX-VIFPVBQESA-N 309.326 -0.160 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](CO)[C@@H](CCO)C1 1653839421 BLHFJYADHVTQIV-QWRGUYRKSA-N 312.326 -0.451 5 10 DBBE O=C(CNC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccon1 1699256951 IJFGIAWUEIWECO-BSANDHCLSA-N 323.309 -0.460 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN1CC(O)(CNC(=O)C2CC2)C1 1716931181 ZPJUBMAIBSOKCA-UHFFFAOYSA-N 309.326 -0.599 5 10 DBBE COCC1(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1746002120 KPBACYIFZWNOPK-GHMZBOCLSA-N 311.338 -0.347 5 10 DBBE N[C@H](CCNS(=O)(=O)c1cncc([N+](=O)[O-])c1)C(=O)O 2144798387 IHAAISBCPVQOJP-MRVPVSSYSA-N 304.284 -0.930 5 10 DBBE CNC1(C(N)=O)CN(c2nc(Cl)nc(C)c2[N+](=O)[O-])C1 2165807043 HKGLDHGJUKEQQZ-UHFFFAOYSA-N 300.706 -0.390 5 10 DBBE CNS(=O)(=O)C1CN(c2nc(NN)ccc2[N+](=O)[O-])C1 2187314243 KYMKVCHHABJYQW-UHFFFAOYSA-N 302.316 -0.987 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@](O)(CO)[C@H](O)C1 2234095246 DXLHYNCMJCOCBF-LDYMZIIASA-N 302.308 -0.414 5 10 DBBE CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)C[C@@H](N)C(=O)O 2286027258 PUPZXBNATGXWRN-SECBINFHSA-N 303.296 -0.227 5 10 DBBE COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O 52125696 QTPBDWPNBUUONG-UHFFFAOYSA-N 300.248 -0.088 5 10 DBBE C[C@H]1Oc2ccc([N+](=O)[O-])nc2N(CCC(=O)NCCN)C1=O 75259509 DCPSKROZAILLAD-MRVPVSSYSA-N 323.309 -0.431 5 10 DBBE CCn1cc([N+](=O)[O-])c(=O)n(Cc2nnsc2NN)c1=O 111545529 YJFOIAIOEZZSGU-UHFFFAOYSA-N 313.299 -0.877 5 10 DBBE Nc1cccc(S(=O)(=O)NCCn2ccnn2)c1[N+](=O)[O-] 128092591 NMPGEIFYMQCKRY-UHFFFAOYSA-N 312.311 -0.253 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](O)C(N)=O 227837789 NQIPOAZBBSFVJY-MRVPVSSYSA-N 303.296 -0.972 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)s1 576173285 LCWZZHUISSNZLV-NKWVEPMBSA-N 308.337 -0.370 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2CCNCC2)n1 599100044 JOFBTNMWVRIZLO-UHFFFAOYSA-N 317.371 -0.004 5 10 DBBE COc1ccc(S(=O)(=O)N[C@@H]2CNOC2)c([N+](=O)[O-])c1 722499798 DLCOGZQHEQFCAU-SSDOTTSWSA-N 303.296 -0.215 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(N2CC[C@@H](O)C2)CC1 1118794109 LIDNJVDMOCIXEH-SNVBAGLBSA-N 309.326 -0.011 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1n[nH]cc1F 1358691857 UEJJTQDSFJTOHN-HTRCEHHLSA-N 311.273 -0.407 5 10 DBBE C[C@@]1(C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])NC(=O)NC1=O 1449354226 XBMNVJLRSQJYFP-QARKVSRYSA-N 310.310 -0.369 5 10 DBBE CN(CCCNC(=O)Cc1cncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1492439238 ADXQLPFOKDXZBM-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE CCn1c(=O)on(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O 1615200449 ZFOAVZJIULYGLL-UHFFFAOYSA-N 315.263 -0.232 5 10 DBBE O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC(=O)NCCO 1629977634 JRXFOUPSHDDUKP-UHFFFAOYSA-N 313.285 -0.109 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CCS(=O)(=O)C1 1635646853 WIAIOMUYZXKQBQ-LLVKDONJSA-N 317.323 -0.787 5 10 DBBE NC(=O)c1ccnc(N2CCC3(CC2)CC(=O)N3)c1[N+](=O)[O-] 1651453220 ANOFOGALGGOWFL-UHFFFAOYSA-N 305.294 -0.052 5 10 DBBE O=C(NCC1(O)CN(Cc2ccccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1672076003 BXRAUTSRNGFIMB-VXGBXAGGSA-N 306.322 -0.590 5 10 DBBE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC([N+](=O)[O-])C1 1900051868 LJTNHYBPRRXLQZ-SECBINFHSA-N 303.315 -0.250 5 10 DBBE CCOC(=O)[C@@H](N)C[S@](=O)Cc1nn(C)cc1[N+](=O)[O-] 2195295346 PATNCDXFZXCHJH-JKNYTWMOSA-N 304.328 -0.533 5 10 DBBE Nc1sc(S(=O)(=O)N2CC(O)(CCO)C2)cc1[N+](=O)[O-] 2286172180 KIXXVKMNGKGGSB-UHFFFAOYSA-N 323.352 -0.644 5 10 DBBE O=C(O)c1cnc(N2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 162365220 MEPXFXXBYUOFKS-UHFFFAOYSA-N 301.280 -0.077 5 10 DBBE Cc1nn(C)c(C(=O)N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-] 544695966 XLULWARPGJJCSQ-JTQLQIEISA-N 309.326 -0.207 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(c2ncns2)CC1 597725348 OTZSHLJSHSSYLV-UHFFFAOYSA-N 323.338 -0.008 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](CF)C2)n1 599327261 QFPKDAVRYLPACZ-ZETCQYMHSA-N 308.291 -0.313 5 10 DBBE Cc1ccnc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1 599346095 XTNBVJGBBXMVJB-UHFFFAOYSA-N 312.311 -0.095 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccnc(O)c1[N+](=O)[O-] 697276851 DICSSTTXQHUYOW-HTQZYQBOSA-N 303.296 -0.081 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)[C@H](O)CO 704947950 RHWNGHSLWMGMFO-QUBYGPBYSA-N 306.296 -0.680 5 10 DBBE CON(C)C(=O)[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 863586463 ATXDBDIWCLGCDL-WCBMZHEXSA-N 301.303 -0.850 5 10 DBBE NC(=O)[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1135516841 ALGUGUIHBBHJIM-SECBINFHSA-N 308.294 -0.520 5 10 DBBE C[C@]12CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]1CS(=O)(=O)C2 1164293570 DEBOCUPNHQHSNM-WRWORJQWSA-N 313.339 -0.162 5 10 DBBE CN(CCN1CCN(CCF)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1267607845 XGPRTJXXORLGCF-VXGBXAGGSA-N 302.350 -0.303 5 10 DBBE Cn1nnc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 1302424219 HZGHPXHVNFAHMS-LBPRGKRZSA-N 306.282 -0.244 5 10 DBBE O=C(NC[C@@]1(CO)COCCN1)c1ccc([N+](=O)[O-])cc1F 1302502866 BPVCMKQLRDBUGV-CYBMUJFWSA-N 313.285 -0.185 5 10 DBBE CNC(=O)CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1353896959 GKYLZYDUZVUTME-UHFFFAOYSA-N 315.307 -0.526 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](c2ncccn2)C1 1646562349 ISWDMZJWDZMWRT-VIFPVBQESA-N 303.282 -0.008 5 10 DBBE CN1C(=O)CN=C1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 1647894948 NJHBTJKIXIOGNT-UHFFFAOYSA-N 306.234 -0.119 5 10 DBBE O=C1NC(=O)C2(CN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)N1 1648745770 CITLAXOJEOYAPW-UHFFFAOYSA-N 320.261 -0.606 5 10 DBBE CN(CCCNCC(=O)N1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1716540887 NZERGICSZGDRKK-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](N)CO 2162377806 NLDBIKFFKXMOLK-ZETCQYMHSA-N 307.303 -0.360 5 10 DBBE O=[N+]([O-])c1c(N[C@H]2CS(=O)(=O)C[C@@H]2O)nc2sccn12 2177811902 GKKRVHNVTBWUQO-WDSKDSINSA-N 318.336 -0.126 5 10 DBBE C[C@@](N)(CO)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2181129307 MOEJMFUBIJLOOE-NSHDSACASA-N 303.340 -0.276 5 10 DBBE Cc1nc(NS(=O)(=O)C[C@@H](N)C(=O)O)ccc1[N+](=O)[O-] 2286054379 GCMJZNJOUPKQDT-ZCFIWIBFSA-N 304.284 -0.548 5 10 DBBE CNC(=O)CNS(=O)(=O)c1ccc(NC)cc1[N+](=O)[O-] 50654597 QHTUCBARAGUYLI-UHFFFAOYSA-N 302.312 -0.339 5 10 DBBE O=C1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1 68465486 BMGAJNCOWYUTCC-UHFFFAOYSA-N 320.305 -0.327 5 10 DBBE Cc1cc(S(=O)(=O)CCS(N)(=O)=O)ncc1[N+](=O)[O-] 92048214 QDYMKMJSATYALC-UHFFFAOYSA-N 309.325 -0.640 5 10 DBBE CCNc1snnc1Cn1c(=O)c([N+](=O)[O-])cn(C)c1=O 111545467 BDLHEVUDUJISOI-UHFFFAOYSA-N 312.311 -0.213 5 10 DBBE CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 122569367 TYRQUKYUGYDDGD-PSASIEDQSA-N 312.330 -0.010 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](CO)C1 167833523 RKRQXILWHVROQS-QMMMGPOBSA-N 316.339 -0.117 5 10 DBBE NNc1cc(S(=O)(=O)N2CC[C@@H](CO)C2)ccc1[N+](=O)[O-] 167834117 WLSQKPTUMWVMKE-MRVPVSSYSA-N 316.339 -0.117 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCO[C@]2(CCOC2)C1 347177937 RTYLILCICJDWLT-CQSZACIVSA-N 323.305 -0.226 5 10 DBBE COc1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] 425055069 CHIRFOPLFDMYGG-MWLCHTKSSA-N 323.305 -0.027 5 10 DBBE COc1cc(C(=O)N2CC(O)(CO)C2)c([N+](=O)[O-])cc1OC 597705387 MCMRLSOVHLWLKR-UHFFFAOYSA-N 312.278 -0.209 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@@H](O)C[C@H]2CO)cc1[N+](=O)[O-] 698177637 YRNMRPHXTNZRPE-WDSKDSINSA-N 323.352 -0.645 5 10 DBBE O=C1CN(CC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 732355836 CJDFYCHTCQFTPO-UHFFFAOYSA-N 321.245 -0.128 5 10 DBBE C[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)N(C)CC(=O)NC1CC1 840673267 WVINTXXMHIQDIO-SZEHBUNVSA-N 313.310 -0.680 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCn2cnnn2)s1 845953803 LVUDEDFHTUBAND-UHFFFAOYSA-N 304.313 -0.379 5 10 DBBE CCN(CC)S(=O)(=O)CC(=O)Nc1cc([N+](=O)[O-])n[nH]1 1303573896 ZXSPUNBXROLTAK-UHFFFAOYSA-N 305.316 -0.072 5 10 DBBE C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@]2(CCOC2)O1 1325003649 FJYLNWTXZUJLIJ-JOYOIKCWSA-N 311.298 -0.407 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@@H]2CC2(F)F)n1 1328947398 ZBVDHIPDPLHBLU-BYPYZUCNSA-N 310.238 -0.212 5 10 DBBE CS[C@@H](C)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1335170020 MYJMRMHUBIECJD-YFKPBYRVSA-N 308.341 -0.115 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H](O)[C@@H](O)C1 1454784880 YSOIKMGBABONOD-ZJUUUORDSA-N 310.262 -0.109 5 10 DBBE Cn1cc(CN2CCC[C@H]3OCCNC(=O)[C@H]32)c([N+](=O)[O-])n1 1659904388 TXNHNLJTMPJMFU-MNOVXSKESA-N 309.326 -0.192 5 10 DBBE CN(C(=O)CNC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1668822343 XBLGZYSJYAKZAB-JDEDCZITSA-N 310.354 -0.466 5 10 DBBE N=c1cc([N+](=O)[O-])cc(N2CC[C@@H](CS(N)(=O)=O)C2)[nH]1 2144386414 FYNOTALNDUFMEZ-SSDOTTSWSA-N 301.328 -0.483 5 10 DBBE O=[N+]([O-])c1c(F)nc[nH]c1=NC[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12 2174707835 KUNHESIAWLWGDC-POBXSPIYSA-N 302.287 -0.352 5 10 DBBE CS(=O)(=O)C1CC(CN=c2[nH]cc([N+](=O)[O-])c(=N)[nH]2)C1 2192326915 ZRIQBIKCUKETLI-UHFFFAOYSA-N 301.328 -0.546 5 10 DBBE O=[N+]([O-])c1c[nH]ccc1=NS(=O)(=O)N1CCC(O)CC1 2202438943 APASPTHDICPEJD-UHFFFAOYSA-N 302.312 -0.475 5 10 DBBE NS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 40218775 NLTWTTMXJJDXDS-UHFFFAOYSA-N 309.325 -0.838 5 10 DBBE NC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccnc(Cl)c1[N+](=O)[O-] 88804655 BMMZGUHRPYSIQF-FSPLSTOPSA-N 314.685 -0.296 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(NN)c2)CC1 131286714 JIJYILHZBBDAQX-UHFFFAOYSA-N 315.355 -0.184 5 10 DBBE COC[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 234882205 GFBMLAPPSXOWRO-MRVPVSSYSA-N 320.323 -0.111 5 10 DBBE CNS(=O)(=O)CCNc1nccc(C(=O)O)c1[N+](=O)[O-] 312366322 AIBUXOJAUUVHCJ-UHFFFAOYSA-N 304.284 -0.351 5 10 DBBE C[C@H]1CN(c2nc(=N)[nH]cc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O 400825687 KVGQSQGKVRHCJL-KNVOCYPGSA-N 301.328 -0.191 5 10 DBBE CCn1cc(S(=O)(=O)N2CN(C)C(=O)[C@H]2C)c([N+](=O)[O-])n1 592107541 DVDYDECHNFOZTD-SSDOTTSWSA-N 317.327 -0.380 5 10 DBBE CN(CC(=O)N1C[C@@H](O)C[C@@H](O)C1)c1ccccc1[N+](=O)[O-] 610669392 YMCZTHHQEJOFNR-PHIMTYICSA-N 309.322 -0.015 5 10 DBBE Cn1nncc1S(=O)(=O)NC(=O)c1cccc([N+](=O)[O-])c1 781741810 ICKKFCGCMHWWGR-UHFFFAOYSA-N 311.279 -0.158 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCS(=O)(=O)C2)n1 1116854139 ZWHCIMMFBWLCNK-ZETCQYMHSA-N 303.296 -0.080 5 10 DBBE CNc1c(C(=O)N2CC3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] 1180851353 QAUJWEGXDSJDNA-UHFFFAOYSA-N 319.277 -0.330 5 10 DBBE O=C(CN1C[C@@H](CO)[C@@H](O)C1)N1CCc2ccc([N+](=O)[O-])cc21 1195015567 VYWQOJBLHPLRFA-FZMZJTMJSA-N 321.333 -0.231 5 10 DBBE COCCNC1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1484419151 GVXCCYKMXGETNK-CHWSQXEVSA-N 314.386 -0.532 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1c(C)ncn1C 1528845215 LMIJFRJKUFXANC-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE CNc1ccc(C(=O)N2CC(O)(C(=O)OC)C2)cc1[N+](=O)[O-] 1558060881 VXTQCNSBINCHLT-UHFFFAOYSA-N 309.278 -0.004 5 10 DBBE CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] 1586613823 UKAVUJURZCIRPF-SSDOTTSWSA-N 320.352 -0.122 5 10 DBBE O=C(NC[C@]12COCCN1C(=O)COC2)c1ccc([N+](=O)[O-])[nH]1 1632291821 DZUOXKKBRRTZKK-CYBMUJFWSA-N 324.293 -0.720 5 10 DBBE NS(=O)(=O)C1CN(c2ncc(C(=O)O)cc2[N+](=O)[O-])C1 1915002380 XKODCNMKLJJBCE-UHFFFAOYSA-N 302.268 -0.835 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)C2COC2)cc1 1915689871 OXXCWSJVKHGDFI-UHFFFAOYSA-N 302.308 -0.023 5 10 DBBE C[S@@](=O)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)C1 2171957140 OFWQJROMMNGSTJ-LJQANCHMSA-N 319.364 -0.072 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C[C@H]1N 2179201318 HQKZRAKSHWBQIE-BDAKNGLRSA-N 302.312 -0.664 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1cccc(N)c1[N+](=O)[O-] 2192655206 FCVAHORXJWZWBL-VHSXEESVSA-N 300.340 -0.026 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1ccc([N+](=O)[O-])c(N)c1 2192681435 UWDVKOBYMDXOIC-ONGXEEELSA-N 300.340 -0.026 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 49102101 FIUIZSYYBFRNEZ-LURJTMIESA-N 317.327 -0.707 5 10 DBBE NC(=O)CCCNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50660260 XAMYFAOQHZJPOD-UHFFFAOYSA-N 302.312 -0.279 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 158490310 UKYTYHIFOKGYTH-IBGZPJMESA-N 322.368 -0.463 5 10 DBBE O=C(CNc1ccc2ncc([N+](=O)[O-])n2n1)N1CCOCC1 301989015 FBMJQBKLHCQWSX-UHFFFAOYSA-N 306.282 -0.092 5 10 DBBE Cn1cnnc1N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 594386169 MEKIACZUHZVJOB-UHFFFAOYSA-N 320.313 -0.731 5 10 DBBE Cc1nc(NN)nc(NCC2CS(=O)(=O)C2)c1[N+](=O)[O-] 701994879 DKTCGKGHAKKHGJ-UHFFFAOYSA-N 302.316 -0.565 5 10 DBBE N[C@@H]1COCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 725372948 DIGWLGXPZKKPQP-VIFPVBQESA-N 301.324 -0.057 5 10 DBBE C[C@H](COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[N+](=O)[O-] 813115531 UQMUTBGQIRWCFZ-NCZXBJOZSA-N 312.278 -0.643 5 10 DBBE O=C(NCCN(C(=O)Cn1cncn1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1296574299 HGGIGZPXGYQVMK-GHMZBOCLSA-N 322.325 -0.950 5 10 DBBE O=C1NC[C@@H](O)CC12CN(c1nc3ccccn3c1[N+](=O)[O-])C2 1472877758 CHRCGFAGHWFYEP-VIFPVBQESA-N 317.305 -0.070 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1cccn1 1501029457 DIGTWXUDZCXYRG-VXGBXAGGSA-N 323.353 -0.145 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H](C)CS(C)(=O)=O 1537758353 BDFNUJJTNIBYCA-QMMMGPOBSA-N 318.355 -0.009 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCN1CCC(O)CC1 1569181389 DIEJZQOPQMHCMB-UHFFFAOYSA-N 324.337 -0.671 5 10 DBBE C[C@H]1CN(c2nc(N3CC(O)C3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 1871315715 RRALVHBQZHEIPY-OCAPTIKFSA-N 324.341 -0.239 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](O)CO)c(F)c1 1963621871 RXIREWQYVKQOJD-MRVPVSSYSA-N 308.287 -0.245 5 10 DBBE C[C@@H](CS(N)(=O)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2152959268 YMMYDOKKTQEQPN-ZETCQYMHSA-N 323.352 -0.450 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(c2nccc(N)c2[N+](=O)[O-])C1 2170580722 CZPRNWSQJQOITN-SSDOTTSWSA-N 301.328 -0.300 5 10 DBBE CC(=O)N[C@@H](Cn1ccc(Cl)c([N+](=O)[O-])c1=O)C(=O)O 2207099205 AHHHLTDVYJNZOR-ZETCQYMHSA-N 303.658 -0.001 5 10 DBBE NC(CO)(CO)CNc1ncc(Br)cc1[N+](=O)[O-] 2258305294 RLZZRTINIVKEGW-UHFFFAOYSA-N 321.131 -0.154 5 10 DBBE CS(=O)(=O)CC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 37668487 RMIJGACGBSXBBU-LLVKDONJSA-N 315.351 -0.027 5 10 DBBE NS(=O)(=O)C[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 350125318 NXPYSZWPQHBDGU-SECBINFHSA-N 303.344 -0.456 5 10 DBBE CN[C@H](C)CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 418863987 HTWKWSXWYSNAOO-SNVBAGLBSA-N 308.338 -0.022 5 10 DBBE CNC(=O)[C@@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 563638379 RHKLVYHUTSUELD-MRVPVSSYSA-N 307.310 0.240 5 10 DBBE O=C(NC[C@@]1(OCCO)CCOC1)c1cc([N+](=O)[O-])n[nH]1 597993024 YQFMDVKSBLCIAU-NSHDSACASA-N 300.271 -0.784 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCNCC2(C)C)n1 599106324 FJQBIFXYZDMUKF-VIFPVBQESA-N 317.371 -0.005 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)[C@@H]1O 599342566 RAHCNDVTCABXII-MBTKJCJQSA-N 318.355 -0.034 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H](O)CO 698918624 KIVLMONFXKCSCU-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE O=Cc1ccc(OCC(=O)N2C[C@@H](O)C[C@@H](O)C2)c([N+](=O)[O-])c1 755444844 ZMWWLVIMBPWAAF-PHIMTYICSA-N 324.289 -0.260 5 10 DBBE CN(Cc1cn(C)nn1)S(=O)(=O)c1ncccc1[N+](=O)[O-] 1118381068 CTKNRTSOCRIYFM-UHFFFAOYSA-N 312.311 -0.061 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCC1(S(C)(=O)=O)CC1 1128685181 ZPNRHZKTLYGQPZ-UHFFFAOYSA-N 316.339 -0.207 5 10 DBBE Cn1cc(N2CC[C@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)C2)cn1 1251914724 KLRQFAYAMXZOHK-VIFPVBQESA-N 320.313 -0.685 5 10 DBBE CCn1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1533427549 PXURMNFPTZQKPK-BLDJZWNYSA-N 321.337 -0.030 5 10 DBBE O=[N+]([O-])c1c(N2CCN3CCOC[C@]3(CO)C2)ccnc1O 1559287764 CRNNLRSWTSINQO-CYBMUJFWSA-N 310.310 -0.421 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1 1566142412 XLACFINTZVWWSL-JTQLQIEISA-N 319.277 -0.326 5 10 DBBE O=[N+]([O-])c1cnc(N2CCN3[C@@H](CNS3(=O)=O)C2)s1 1643223652 ZXTNXNJQDVLKNS-LURJTMIESA-N 305.341 -0.610 5 10 DBBE CN(C)C[C@@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 1644123681 LXHAKIZNWWAKKX-ZDUSSCGKSA-N 309.326 -0.289 5 10 DBBE CNS(=O)(=O)C[C@@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-] 1644903825 CKYANYVLHHLXQU-JTQLQIEISA-N 317.371 -0.158 5 10 DBBE CCc1nnc(CN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 1687428836 TWSMCILLLBCAOJ-NXEZZACHSA-N 309.326 -0.059 5 10 DBBE NS(=O)(=O)NCCCNC(=O)c1ccc([N+](=O)[O-])s1 2101344487 WEWOMNZCBBRVHO-UHFFFAOYSA-N 308.341 -0.431 5 10 DBBE NC(=O)[C@@H]1C[C@@H](N)CN(c2ncnc(Cl)c2[N+](=O)[O-])C1 2162787036 JYIXPXVMABUBQG-PHDIDXHHSA-N 300.706 -0.323 5 10 DBBE C[C@H](O)[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2174119646 RSCVPJMBAACUOT-XPUUQOCRSA-N 308.287 -0.246 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](O)CO)cc1F 2182244559 ILKDRMQWAAZAHR-SSDOTTSWSA-N 308.287 -0.245 5 10 DBBE O=C(Nc1ccnc(Cl)c1[N+](=O)[O-])[C@@H]1NC[C@@H](O)[C@H]1O 2201150494 UEFLWUIRCGWDPD-ATRFCDNQSA-N 302.674 -0.725 5 10 DBBE NS(=O)(=O)NCCCNc1ccc([N+](=O)[O-])cc1CO 2205280024 YMUPLTZZLMBYNB-UHFFFAOYSA-N 304.328 -0.318 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2C(=O)[C@H]3CC[C@H]3S2(=O)=O)n1 2283221795 UASQUDZPXFPVRD-IMTBSYHQSA-N 300.296 -0.221 5 10 DBBE Nc1cc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(Cl)cc1[N+](=O)[O-] 2358573638 NBWDTEOEFRPKEF-MXWKQRLJSA-N 303.702 -0.267 5 10 DBBE NC(=O)NC(=O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 47744393 MUNZTLNFNUBXNG-UHFFFAOYSA-N 307.310 -0.088 5 10 DBBE NC(=O)[C@H]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 132050285 LOECKDLQNHVABB-UWVGGRQHSA-N 322.321 -0.083 5 10 DBBE O=C(NC(CO)(CO)CO)c1ccc([N+](=O)[O-])cc1Cl 236492148 CLNTWEGYRKQSMP-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1CCO 416301681 VNWHFLYAIQXYAM-GHMZBOCLSA-N 311.342 -0.295 5 10 DBBE CN(C(=O)[C@@H]1CCN(C)S1(=O)=O)c1ccc([N+](=O)[O-])nc1 592626736 HBGMPAKOBJMTOL-VIFPVBQESA-N 314.323 -0.014 5 10 DBBE O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593529595 CGAYRNKTNWEQBO-SECBINFHSA-N 314.323 -0.063 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](O)C(F)(F)C2)c1 595660263 CNRDVSLBVSIMLQ-UWVGGRQHSA-N 306.269 -0.146 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2CO)cc1 698138030 KASSNDONILSWNI-ZJUUUORDSA-N 302.308 -0.289 5 10 DBBE CO[C@H](C)CS(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])cn1 764205238 AJAXYQVWVKZJJO-MRVPVSSYSA-N 320.327 -0.338 5 10 DBBE Cn1[nH]cc2c(=NC(=O)Cn3cnc([N+](=O)[O-])n3)ccnc1-2 1116943163 HKTKHHMFJGOESP-UHFFFAOYSA-N 302.254 -0.520 5 10 DBBE C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C 1333734164 ATSDFRHERQDQQJ-ZJUUUORDSA-N 310.358 -0.308 5 10 DBBE Cc1[nH]nc(C(=O)NC[C@]2(OCCO)CCOC2)c1[N+](=O)[O-] 1334501042 ZPVFVDPEYMFHFE-GFCCVEGCSA-N 314.298 -0.476 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCCNS(C)(=O)=O)n1 1629593185 VTGVBIPYTHBNOQ-UHFFFAOYSA-N 319.343 -0.520 5 10 DBBE O=C(NCCN1CCC2(C1)OCCO2)c1c[nH]nc1[N+](=O)[O-] 1633489643 ZEKVXOZMBLACGK-UHFFFAOYSA-N 311.298 -0.504 5 10 DBBE CN(C)CCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1739237724 FYHYXOCYUYHUHC-VXGBXAGGSA-N 324.381 -0.336 5 10 DBBE Nc1sc(S(=O)(=O)NCCn2cnnn2)cc1[N+](=O)[O-] 2146599061 XBLMODAMVSWQCZ-UHFFFAOYSA-N 319.328 -0.797 5 10 DBBE NNc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1COC1 2154131064 LDHWKNHLFHXGQW-UHFFFAOYSA-N 302.312 -0.195 5 10 DBBE COc1cc(NCCNS(N)(=O)=O)c(F)cc1[N+](=O)[O-] 2157534552 LBZCUMAFSHSWGA-UHFFFAOYSA-N 308.291 -0.053 5 10 DBBE COC(=O)[C@@H](N)CC[S@](=O)Cc1nn(C)cc1[N+](=O)[O-] 2195299522 UUDDUIAEIZMKOP-JKNYTWMOSA-N 304.328 -0.533 5 10 DBBE CS(=O)(=O)C[C@@H](N=c1c(Cl)c[nH]cc1[N+](=O)[O-])C(=O)O 2360620535 KESOJXYBIFMLKU-ZCFIWIBFSA-N 323.714 -0.025 5 10 DBBE CN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 36266854 UBQAAVRCKLAUMQ-GHMZBOCLSA-N 301.324 -0.452 5 10 DBBE O=C(O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 166506184 NSADWDLCXBWWPU-ZCFIWIBFSA-N 319.251 -0.804 5 10 DBBE NS(=O)(=O)CCCNc1nccc(C(=O)O)c1[N+](=O)[O-] 312524924 UQLINFAMRACEPN-UHFFFAOYSA-N 304.284 -0.222 5 10 DBBE C[C@@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCN1 599108558 NDUHEZUNGNCINV-HTQZYQBOSA-N 303.344 -0.253 5 10 DBBE CO[C@](C)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 702536884 JRHTZSKPYSYEQI-JTQLQIEISA-N 305.312 -0.335 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CNC[C@@H]2O)c1 702791879 TVJCHGLLSVMXFO-KCJUWKMLSA-N 301.324 -0.547 5 10 DBBE COC(=O)N(C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859225027 MEQLNERBRSULQE-UHFFFAOYSA-N 321.315 -0.695 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](CCO)C1CCOCC1 1116623690 RURONUQXYVXZSF-SNVBAGLBSA-N 313.314 -0.520 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@]1(CCO)CCOC1 1139239416 PJVZTBQJAWULCT-ZDUSSCGKSA-N 311.294 -0.586 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(Cc2cn[nH]c2)CC1 1162354052 YVKYZDVFDPZLRQ-UHFFFAOYSA-N 320.313 -0.746 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CC1)NC(=O)NC2=O 1642599117 MPUBYLXAURQSDT-UHFFFAOYSA-N 322.325 -0.226 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](CO)[C@@H](CO)C1 1650370302 DDZLPVIIZJIUBD-PHIMTYICSA-N 312.326 -0.451 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccnnc1 1758369501 HOIWBIYDPFVLEU-GHMZBOCLSA-N 307.310 -0.280 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@]2(CO)C[C@H](O)C2)cc1 2197293372 WHULWINOGOEINN-JGZJWPJOSA-N 302.308 -0.241 5 10 DBBE C[C@H](CN=c1ccn2ncc([N+](=O)[O-])c2[nH]1)S(N)(=O)=O 2295901725 SABAIXZZKORQLY-ZCFIWIBFSA-N 300.300 -0.852 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)C1 45521165 CXAUCBGFLJJDMU-UHFFFAOYSA-N 315.307 -0.276 5 10 DBBE COC(=O)[C@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 50070015 ZQBBGJTVPCEMTH-VIFPVBQESA-N 318.307 -0.056 5 10 DBBE COC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(NN)c2)C1 312273904 NAIWYJKVUUMULA-UHFFFAOYSA-N 302.312 -0.100 5 10 DBBE CN(C[C@@H]1CCS(=O)(=O)C1)c1ncc([N+](=O)[O-])c(N)n1 354320029 YUKVIFKYFFCKAS-ZETCQYMHSA-N 301.328 -0.162 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCNC2=O)c1 693955105 RJFUFYFDCPPSQF-SSDOTTSWSA-N 300.296 -0.656 5 10 DBBE CN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(C(N)=O)cc1 1355553926 SBUSLVIGJAJCGY-UHFFFAOYSA-N 304.266 -0.052 5 10 DBBE Cc1cc(CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 1358653378 AOENWZWDZZRVFH-GHMZBOCLSA-N 322.321 -0.044 5 10 DBBE CNC(=O)NC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1570326518 KXKOXBBPARXSEN-UHFFFAOYSA-N 310.314 -0.289 5 10 DBBE COCCO[C@H]1C[C@@H](CO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1634456477 ORRBVLUTAUJUFL-WRWGMCAJSA-N 302.327 -0.476 5 10 DBBE CNC(=O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 1635379107 XWEUPHBOVSFTSN-UHFFFAOYSA-N 309.326 -0.183 5 10 DBBE O=C1NCCC2(CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)O1 1639749637 MXOHSDFMKCSMCT-UHFFFAOYSA-N 322.277 -0.533 5 10 DBBE Cn1nncc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1673164209 MRYYQTVMMSRYFE-GHMZBOCLSA-N 308.342 -0.391 5 10 DBBE NC(=O)CNCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1699981958 SFVXLGNNLGUEFS-CHWSQXEVSA-N 320.349 -0.245 5 10 DBBE NC(=O)CNCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 1714319601 LOESBGGCVIQEGM-VXGBXAGGSA-N 306.322 -0.457 5 10 DBBE NS(=O)(=O)c1cn(CC[C@@H]2COCCO2)nc1[N+](=O)[O-] 1916775453 OLEISUMTYCPHFQ-SSDOTTSWSA-N 306.300 -0.756 5 10 DBBE Nc1c([N+](=O)[O-])ccc(O[C@@H]2CS(=O)(=O)C[C@H]2N)c1F 2184668807 CSQSMJKCDSEQHX-SVGQVSJJSA-N 305.287 -0.181 5 10 DBBE CS(=O)(=O)C1CC(Cn2cc([N+](=O)[O-])c(O)nc2=O)C1 2285404842 RYTVUHNIBVDTNW-UHFFFAOYSA-N 303.296 -0.320 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1nc(C)ncc1[N+](=O)[O-] 2286616412 MNLUMLUHEWGKOJ-APPZFPTMSA-N 302.312 -0.083 5 10 DBBE CS(=O)(=O)C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)O 2360530946 MIJTXVYZNGLTSU-ZCFIWIBFSA-N 322.320 -0.116 5 10 DBBE NNc1cc(C(=O)NCCS(N)(=O)=O)c([N+](=O)[O-])cc1F 51129083 BRXCYGIWMCYSNG-UHFFFAOYSA-N 321.290 -0.962 5 10 DBBE C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 167715407 WVOOVHVXVPGKPE-BDAKNGLRSA-N 317.323 -0.240 5 10 DBBE CN(Cc1nnnn1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 342613529 CECKIBXTAFFUDL-UHFFFAOYSA-N 312.311 -0.061 5 10 DBBE COC(=O)C12CC(CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 595675539 ULQKMQDXFFYWKP-DMLGSKKGSA-N 310.310 -0.210 5 10 DBBE Cc1[nH]c(=NCC2COC2)[nH]c(=NCC2COC2)c1[N+](=O)[O-] 599178039 DCZYGIYVKXFVOS-UHFFFAOYSA-N 309.326 -0.346 5 10 DBBE CS(=O)(=O)NC1CN(c2cc(CO)sc2[N+](=O)[O-])C1 703013900 DXKDXHIHGZVQJF-UHFFFAOYSA-N 307.353 -0.114 5 10 DBBE C[C@@H](O)[C@@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 717413690 FSUDRGTWWCDKTR-MUWHJKNJSA-N 308.287 -0.246 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CO)(CO)CC1 1308062429 QABZKSYPQQWCHX-UHFFFAOYSA-N 311.338 -0.177 5 10 DBBE O=C(N[C@H]1C[C@H](O)C1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1557651496 MJSCXYIYQLXQFE-XWEPSHTISA-N 304.266 -0.176 5 10 DBBE N[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2149989076 SIOUOHKCDWUGHS-HTQZYQBOSA-N 303.296 -0.695 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C[C@@H]1N 2179202172 MPQQOWKTIDNEKX-UWVGGRQHSA-N 302.312 -0.664 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@@](C)(N)CO)cc1[N+](=O)[O-] 2181128635 ILDWYKZYHXDCKJ-LLVKDONJSA-N 303.340 -0.109 5 10 DBBE COCC[S@@](=O)CCN=c1cc([N+](=O)[O-])cc(NN)[nH]1 2207025910 POEXUYIKGUFIGV-FQEVSTJZSA-N 303.344 -0.496 5 10 DBBE CS[C@@H]1COC[C@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 2207562389 QQGBAGAOGXMKBV-HBNTYKKESA-N 302.356 -0.128 5 10 DBBE NS(=O)(=O)c1cn(C[C@H]2[C@@H]3CCOC[C@@H]32)nc1[N+](=O)[O-] 2355953275 SEBJZPXOJOZIEK-FXQIFTODSA-N 302.312 -0.279 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(=O)NC(=O)C1 97270394 YMSZLIYNUPANEP-UHFFFAOYSA-N 313.291 -0.450 5 10 DBBE C[C@@H](O)[C@@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131365290 BZCHFRPVLXKDKD-MUWHJKNJSA-N 307.303 -0.280 5 10 DBBE CNc1sc(S(=O)(=O)NCCNC(N)=O)cc1[N+](=O)[O-] 147421337 QKTUHZUZNDCICY-UHFFFAOYSA-N 323.356 -0.355 5 10 DBBE O=C1N[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CO1 297006164 REVRUKZMTFZFFZ-SECBINFHSA-N 321.293 -0.253 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2COC[C@H]2O)cc1[N+](=O)[O-] 323748412 SNQXESKMXQSNCC-WCBMZHEXSA-N 303.296 -0.785 5 10 DBBE COC(=O)CN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 331057261 LOWAVYJNCCLION-UHFFFAOYSA-N 311.298 -0.741 5 10 DBBE COCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 490052928 IPTSUACKVGQXLB-AAEUAGOBSA-N 314.342 -0.111 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])NCCNC(=O)NCCCO 585853934 PHUMVAIFXGBJRH-UHFFFAOYSA-N 324.337 -0.065 5 10 DBBE CCOC[C@@H](O)CN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 609258114 JXKNWCUNXYSUNM-NSHDSACASA-N 313.358 -0.152 5 10 DBBE CC(C)(CNS(C)(=O)=O)Nc1ncnc(N)c1[N+](=O)[O-] 708243753 BWMGAHRSFMMSGN-UHFFFAOYSA-N 304.332 -0.293 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCNC(=O)C1CC1 1292166380 LUWMUIVOTOSGNG-UHFFFAOYSA-N 308.294 -0.601 5 10 DBBE CCNC(=O)N1CC[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 1337163707 AQWHFHUAGBXPDD-MRVPVSSYSA-N 310.314 -0.138 5 10 DBBE Cc1nc(N2CCN3[C@@H](CNS3(=O)=O)C2)ccc1[N+](=O)[O-] 1458632855 LYQJBPPCYAUIEU-VIFPVBQESA-N 313.339 -0.363 5 10 DBBE COC1(OC)CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1O 1557154774 JZOFFFJWENRDPQ-SECBINFHSA-N 314.298 -0.476 5 10 DBBE COC[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C(=O)OC 1566837976 ZGFDATAVTHQWKK-SCSAIBSYSA-N 306.662 -0.111 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cccnn1 1581083069 ZYUJEHUNCSHYQK-MWLCHTKSSA-N 307.310 -0.280 5 10 DBBE O=C(CCn1ccnn1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1689579466 AIJJQBRHLBEAMW-NXEZZACHSA-N 322.325 -0.902 5 10 DBBE O=C(NCCN1CCC(NCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1699993310 NZHBCRVIJCCRST-VXGBXAGGSA-N 302.350 -0.209 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NN1CCNCC1 2145594304 ZZZXPZMSBVWTJZ-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1COC[C@H]1N 2149987808 NIBOTBIXIBQQBM-RKDXNWHRSA-N 301.324 -0.092 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@@H]1CCCC[C@@H]1S(C)(=O)=O 2159177950 DDRJVLQLWIJMHT-SFYZADRCSA-N 303.344 -0.087 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1cc(N)ccc1[N+](=O)[O-] 2206725835 TYXKELOCKLKMMW-GXSJLCMTSA-N 300.340 -0.026 5 10 DBBE CNc1cccc(S(=O)(=O)NCCC(N)=O)c1[N+](=O)[O-] 126922621 OOMZERCXCODRHZ-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE C[C@H](Cn1ccnc1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599219029 RAMCSZRPAKZOOW-MRVPVSSYSA-N 314.327 -0.108 5 10 DBBE O=C(CN1CC(=O)NC1=O)NCCOc1ccc([N+](=O)[O-])cc1 609549963 KPTCDMBAMWRBEG-UHFFFAOYSA-N 322.277 -0.358 5 10 DBBE COC(=O)N1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1318143763 VLAVJYFCCGGEGQ-UHFFFAOYSA-N 312.286 -0.513 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 1341456486 PXDJNIBYPLOPGK-SSDOTTSWSA-N 317.327 -0.908 5 10 DBBE C/C=C(\C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1487032461 KVKQVSNEYPEQFL-VIXUHMKYSA-N 311.338 -0.303 5 10 DBBE CN(CCNC(=O)c1cnn2cc[nH]c12)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496358627 NJKKTIHEGMMFFF-PSASIEDQSA-N 320.309 -0.484 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](S(C)(=O)=O)C2)n1 1634984536 IMICZGGFNLIHLU-ZETCQYMHSA-N 302.312 -0.413 5 10 DBBE CN1CCN(C(=O)CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 1653920148 VLRUGAQHAUWCHQ-UHFFFAOYSA-N 322.325 -0.924 5 10 DBBE C[C@](C(=O)O)([C@H]1CCS(=O)(=O)C1)n1cnc([N+](=O)[O-])n1 2146791642 MBWWBMFZUWKYSA-IMTBSYHQSA-N 304.284 -0.579 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COC[C@H]2O)cn1 2154108190 HIAGQBJVFMBQAD-VXNVDRBHSA-N 303.296 -0.725 5 10 DBBE O=[N+]([O-])c1c[nH]ccc1=NS(=O)(=O)N1CCC[C@H]1CO 2202439067 CPJALHWWQWBRLR-QMMMGPOBSA-N 302.312 -0.475 5 10 DBBE COC(=O)[C@H](C)NC[C@H](O)Cn1nc(C)c([N+](=O)[O-])c1C 69369694 VYGAOKQQRWXDSG-WPRPVWTQSA-N 300.315 -0.080 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC(=O)NC2)c1 111613585 VIQWUQMZFSCLML-MRVPVSSYSA-N 314.323 -0.266 5 10 DBBE Cn1ncnc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 127396639 LPAJZZZMJMRXHL-UHFFFAOYSA-N 313.299 -0.190 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 136168255 ZSFRBISZOQNQSY-LURJTMIESA-N 317.327 -0.577 5 10 DBBE COC(=O)C[C@H]1COCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 345761521 LGGBUJUPPYVZJG-QMMMGPOBSA-N 312.282 -0.268 5 10 DBBE COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 592934864 FLKJJKUTUWLBLW-JGVFFNPUSA-N 312.282 -0.676 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCN1CCCO 1159092297 XEOBPKQKFCNKJT-LLVKDONJSA-N 311.342 -0.246 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2cccnn2)CC1 1318169281 BSXJUFGUMONONQ-UHFFFAOYSA-N 318.297 -0.675 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@H]2c2ncno2)c1 1327347560 SZLLSLZATPYGFY-MNOVXSKESA-N 324.297 -0.391 5 10 DBBE CN(C)CCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1524623358 GMRXHOFEEQUSKK-WUHRBBMRSA-N 324.381 -0.195 5 10 DBBE COc1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 1535220002 COFREPVDLGQJPR-HTQZYQBOSA-N 324.293 -0.273 5 10 DBBE CC(C)(C(=O)N1CC(S(C)(=O)=O)C1)n1cc([N+](=O)[O-])cn1 1639183914 PWLYKYYPVWVJMG-UHFFFAOYSA-N 316.339 -0.218 5 10 DBBE NC(=O)C12CCC(CC1)N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1639745213 AWOMKPAFCNQCPP-UHFFFAOYSA-N 320.305 -0.235 5 10 DBBE Cn1cc(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1689582647 DKEDJTUENCDHBO-GHMZBOCLSA-N 321.337 -0.607 5 10 DBBE O=[N+]([O-])c1c(NS(=O)(=O)N2CC(O)C2)ccnc1Cl 1914163948 WKKBHNVKFLYIOK-UHFFFAOYSA-N 308.703 -0.024 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(c2cc([N+](=O)[O-])cc(=N)[nH]2)C1 2170673113 HDYWVMSCYISINA-QMMMGPOBSA-N 301.328 -0.470 5 10 DBBE Cc1cc([N+](=O)[O-])cn(Cc2nc(N)nc(N(C)C)n2)c1=O 155826390 MTBQZPLXSJHEIN-UHFFFAOYSA-N 305.298 -0.054 5 10 DBBE NC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCO1 165633423 ZAPBJZXTJQWQMN-QMMMGPOBSA-N 302.312 -0.662 5 10 DBBE C[C@@H](O)CN(C)S(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 313716894 VKRZJMWHCDGWMT-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE CCC[C@H](C)C(=O)NCCNC(=O)Cn1cnc([N+](=O)[O-])n1 351528126 BUMVWVLOPWAYBY-VIFPVBQESA-N 312.330 -0.145 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCCN2)s1 599105933 GWOWNJOIMJWPOJ-SSDOTTSWSA-N 307.353 -0.077 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCc1ncn(C)n1 1118208947 CKJOYTYBNHCOPF-UHFFFAOYSA-N 307.314 -0.023 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@H]1N 1118866167 WTQOHTKHJSGBSN-HTQZYQBOSA-N 303.344 -0.314 5 10 DBBE C[C@@H]1CS(=O)(=O)CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 1439560328 AQGBPNUDQXMUAC-MRVPVSSYSA-N 317.327 -0.778 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCS(N)(=O)=O 1558191884 SBJGAIXZGAIUKD-UHFFFAOYSA-N 302.312 -0.341 5 10 DBBE CC(=O)N[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1638448681 CKBGXKLPTZNEGU-SNVBAGLBSA-N 308.294 -0.507 5 10 DBBE CS(=O)(=O)c1nn(-c2cncc([N+](=O)[O-])c2)cc1C(N)=O 2080303504 GFCSJZRRFDCJJR-UHFFFAOYSA-N 311.279 -0.322 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@@H]2CONC2=O)cc1[N+](=O)[O-] 2148979912 CKKCCIAAAPIHJY-MRVPVSSYSA-N 301.280 -0.388 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2CC[C@@H]3CS(=O)(=O)C[C@H]32)n1 2196038608 UJCKFEYUTUFKGW-LDYMZIIASA-N 300.340 -0.053 5 10 DBBE CCn1ncc([N+](=O)[O-])c1N[C@H]1CNC[C@@H]1S(C)(=O)=O 2240579629 RFLBNMUJMRWATG-CBAPKCEASA-N 303.344 -0.392 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1NCCS(=O)(=O)CCO 2360984644 CFZQTISLDDGCJQ-UHFFFAOYSA-N 306.344 -0.061 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCNC1=O 50661722 QUOAJKCBXKYRNE-VIFPVBQESA-N 314.323 -0.266 5 10 DBBE Nc1ccc(S(=O)(=O)NCCn2ccnn2)cc1[N+](=O)[O-] 127479885 SIOJUDLCZMPVAG-UHFFFAOYSA-N 312.311 -0.253 5 10 DBBE O=C1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)CN1 229050685 BZEIKNKDDXVSOY-ZCFIWIBFSA-N 303.271 -0.099 5 10 DBBE NC(=O)C[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 441512921 RLPVPRBKGYUKRG-JQWIXIFHSA-N 311.342 -0.118 5 10 DBBE NS(=O)(=O)C1CCN(c2ncnc(F)c2[N+](=O)[O-])CC1 707401508 KPMWCXNFQQASPK-UHFFFAOYSA-N 305.291 -0.219 5 10 DBBE O=C(CCn1ccnn1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1284049097 BCMYIKXIXPLKLP-GWOFURMSSA-N 322.325 -0.903 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ccn(C)n1 1501146685 RYSXCZWPDWBZIZ-VXGBXAGGSA-N 323.353 -0.455 5 10 DBBE CN(CC1CC1)C(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1566838243 JDIARXALWSOJJT-YVECIDJPSA-N 324.381 -0.243 5 10 DBBE Cn1cnnc1CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1689987121 HDHPNIJSJWHTHW-VXGBXAGGSA-N 322.369 -0.049 5 10 DBBE Cc1cncn1CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705264180 YUFOMTATWPHERY-GHMZBOCLSA-N 321.337 -0.378 5 10 DBBE CCn1cc([N+](=O)[O-])cc1C(=O)N1CC(S(N)(=O)=O)C1 1914976142 LUZCYJNIIKVAQX-UHFFFAOYSA-N 302.312 -0.471 5 10 DBBE C[C@@H](CCCn1cc([N+](=O)[O-])c(O)nc1=O)S(=O)(=O)O 2155496728 BXEPQXORLWOAHU-LURJTMIESA-N 307.284 -0.086 5 10 DBBE O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1ccc([N+](=O)[O-])s1 2177877116 MUPZQMKSLFXEPP-QLSQZMLOSA-N 302.308 -0.511 5 10 DBBE C[P@]1(=O)C[C@H](O)[C@@H](N=c2[nH]c(NN)ncc2[N+](=O)[O-])C1 2177954401 IUBKIQLTWPTTMP-BDVWOLNTSA-N 302.231 -0.760 5 10 DBBE Cc1[nH]ccc(=N[C@H](CS(C)(=O)=O)C(=O)O)c1[N+](=O)[O-] 2360622866 VAQICFKAYZETAQ-MRVPVSSYSA-N 303.296 -0.370 5 10 DBBE NCc1ccc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@@H]2O)c1 50516342 OMFCFJZESCWPTP-ONGXEEELSA-N 302.308 -0.410 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCc2ncnn2C1 112659849 ZLVZNGBEZBWWLD-VIFPVBQESA-N 305.298 -0.178 5 10 DBBE O=C(O)c1cccc([N+](=O)[O-])c1O[C@@H]1CS(=O)(=O)C[C@H]1O 137215480 OCLLVRBYNLNBIT-RKDXNWHRSA-N 317.275 -0.170 5 10 DBBE CS(=O)(=O)NCCCNc1ncnc(NN)c1[N+](=O)[O-] 230976071 SYHRULLGHYYRTA-UHFFFAOYSA-N 305.320 -0.978 5 10 DBBE COC(=O)CC1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 518543148 DDCJPROTOBUSAM-UHFFFAOYSA-N 309.278 -0.032 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CN2CCCN1CC2 619873601 PIOMWRWQVNVSIL-NSHDSACASA-N 308.342 -0.703 5 10 DBBE C[C@H](O)[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 717414747 JIKCITXHBRAIIB-RCOVLWMOSA-N 308.287 -0.246 5 10 DBBE O=C(c1cn[nH]c1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 940360257 VEKGITBMRBTKOW-GHMZBOCLSA-N 307.310 -0.251 5 10 DBBE COC1(OC)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1O 1299815300 VHKGJCYQSSQLGL-QMMMGPOBSA-N 300.271 -0.486 5 10 DBBE O=C(NC[C@]1(CO)COCCN1)c1csc([N+](=O)[O-])c1 1302503269 GJAPOCPSJPCVEY-NSHDSACASA-N 301.324 -0.263 5 10 DBBE COC(=O)[C@@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCOC1 1538122318 VGQMFBKSCHJRFV-GFCCVEGCSA-N 312.282 -0.513 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC1CCN([C@@H]2CCOC2)CC1 1585143802 WCGVTPPPOYBBAC-LLVKDONJSA-N 324.341 -0.444 5 10 DBBE Cn1nncc1C1(O)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 1588317007 IBBMKEMCNPJUKM-UHFFFAOYSA-N 317.305 -0.004 5 10 DBBE COC(=O)CN(C)CCNC(=O)Cn1c([N+](=O)[O-])cnc1C 1596303721 QVKOOBMMAPBINX-UHFFFAOYSA-N 313.314 -0.679 5 10 DBBE COC(=O)[C@@H]1COCCN1C(=O)c1cnc(O)c([N+](=O)[O-])c1 1621106946 SKYVYOBUHKLKDO-VIFPVBQESA-N 311.250 -0.291 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(O)(c2ccnn2C)C1 1633017524 JCSRKUKQRYDXBV-UHFFFAOYSA-N 320.309 -0.437 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H](O)CO 1963019162 ZMPDUXRGYYDZCE-VIFPVBQESA-N 304.324 -0.075 5 10 DBBE COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)N1CC(N)C1 2159025174 PCIFXHOVIMQIRB-UHFFFAOYSA-N 302.312 -0.097 5 10 DBBE C[C@](N)(CO)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2181129059 KNJVKCXXBDQNJZ-SNVBAGLBSA-N 307.303 -0.278 5 10 DBBE COC[C@](C)(Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1)OC 2198278408 ZRWBPPMFCCSULJ-VIFPVBQESA-N 308.316 -0.510 5 10 DBBE C[C@@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 51840051 PHMBNEIITYGLCV-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@@H](O)CO)cc1[N+](=O)[O-] 90281434 YGMDLLDSTRBHKT-SSDOTTSWSA-N 306.296 -0.765 5 10 DBBE Cc1nc(S(=O)(=O)CCS(N)(=O)=O)ccc1[N+](=O)[O-] 124262039 BJAKGIRJBQUXGX-UHFFFAOYSA-N 309.325 -0.640 5 10 DBBE COCCCN(C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 357344692 QBCGZXYLSQASKI-UHFFFAOYSA-N 300.319 -0.729 5 10 DBBE NS(=O)(=O)c1cn(C2CCS(=O)(=O)CC2)nc1[N+](=O)[O-] 689612481 ZMEZJNCMYITTBS-UHFFFAOYSA-N 324.340 -0.812 5 10 DBBE CNCCOCCNS(=O)(=O)c1cncc([N+](=O)[O-])c1 705957591 DQUKFYWJKIMECL-UHFFFAOYSA-N 304.328 -0.496 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)n1 1116467832 UGPATKDQDYHLAY-SECBINFHSA-N 322.325 -0.042 5 10 DBBE C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 1277407369 XJXXLOIXEYEXIX-HRDYMLBCSA-N 310.314 -0.348 5 10 DBBE CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CC1 1290113417 PYMABZQOOURCQH-UHFFFAOYSA-N 317.309 -0.042 5 10 DBBE O=C(NCCN1CCN(C(=O)C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1294680941 PYTMGRVSVFMOFI-VXGBXAGGSA-N 310.354 -0.678 5 10 DBBE C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[S@](=O)C1 1567604119 UXMZHXWUVSRQEX-FHZGZLOMSA-N 301.328 -0.587 5 10 DBBE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 1625088737 QGISMVKRZBPDBS-KOLCDFICSA-N 314.319 -0.069 5 10 DBBE CN1C[C@H](C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)NC1=O 1632080950 QDFKWUORQKGILK-RISCZKNCSA-N 322.321 -0.058 5 10 DBBE CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1637173348 ILBVKXXRKKMCPS-VXNVDRBHSA-N 315.307 -0.096 5 10 DBBE CCN(CC)C(=O)CNCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1663923666 HCIRBYKKSSWWLY-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE O=C(Cc1ccon1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1689575099 FSRNWFLEGLPXTP-NXEZZACHSA-N 308.294 -0.353 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ncccc1O 1689582716 HAAKVESUXJBKHR-RKDXNWHRSA-N 320.305 -0.169 5 10 DBBE NCCN(CCN)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2152187590 USGPTVQXHJSIFQ-UHFFFAOYSA-N 306.319 -0.358 5 10 DBBE N=c1cc([N+](=O)[O-])cc(NCCNS(=O)(=O)C(F)F)[nH]1 2159558041 IJQGRRPBRPUEBY-UHFFFAOYSA-N 311.270 -0.044 5 10 DBBE CN(CCN)S(=O)(=O)NCCc1ccc([N+](=O)[O-])cc1 2161207858 UBAYMQWOTQRPLK-UHFFFAOYSA-N 302.356 -0.138 5 10 DBBE Cc1[nH]c(=N)[nH]c(=N[C@@H]2C[P@@](C)(=O)C[C@H]2O)c1[N+](=O)[O-] 2177951769 JITGKWIKDATYPY-KPPZRBJDSA-N 301.243 -0.324 5 10 DBBE CCCN=c1cc[nH]cc1S(=O)(=O)N1CC([N+](=O)[O-])C1 2191517437 WIPDLUHDDHISKQ-UHFFFAOYSA-N 300.340 -0.025 5 10 DBBE COC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)c1csc([N+](=O)[O-])c1 2233875411 YDOOKJIHFGUTKE-NQMVMOMDSA-N 302.308 -0.151 5 10 DBBE Nc1sc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] 125618183 LTHYVQSVSQSAGF-YFKPBYRVSA-N 320.352 -0.205 5 10 DBBE COc1cc(N2CCN(CC(N)=O)C(=O)C2)ccc1[N+](=O)[O-] 413424391 PVMQLXQPNSSJKX-UHFFFAOYSA-N 308.294 -0.263 5 10 DBBE CN1C[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 590446960 XPUOUPBYCAYPFI-CMPLNLGQSA-N 306.322 -0.081 5 10 DBBE CNC(=O)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593609482 QUNOMWRXNQFRRR-ZETCQYMHSA-N 302.312 -0.207 5 10 DBBE CN1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 599237749 DQBOVKBBJAJFBR-SSDOTTSWSA-N 317.327 -0.821 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)c1ccc([N+](=O)[O-])c(O)c1 719721272 VWPFMSAWUNKFHP-UHFFFAOYSA-N 303.296 -0.339 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@]2(CNC(=O)C2)C1 1320959217 RYRJRNGCNKUDAG-ZDUSSCGKSA-N 305.294 -0.195 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)n1 1329058734 COHPBFDNQBZJFN-UWVGGRQHSA-N 309.326 -0.391 5 10 DBBE C[C@H](C(=O)O)C1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1348424009 XIHWIYSMIIUDSP-LURJTMIESA-N 318.311 -0.331 5 10 DBBE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] 1465288140 QITMQOCYXHUERK-RNFRBKRXSA-N 302.312 -0.035 5 10 DBBE O=C(Cc1cnoc1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1533491764 HHPANNOSWMGBFP-JLVKAVFRSA-N 308.294 -0.329 5 10 DBBE Cc1nc([C@@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)n[nH]1 1639290738 HKDZOIAGRKGHCH-MRVPVSSYSA-N 306.286 -0.371 5 10 DBBE CN(C)C[C@]1(O)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 1644123367 BYXHIOIHOIIZSL-CYBMUJFWSA-N 311.342 -0.294 5 10 DBBE CS(=O)(=O)C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 1652923510 YKUCCGVSWWBEKU-ZETCQYMHSA-N 318.311 -0.797 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=N[C@@H](C)CCS(C)(=O)=O)[nH]1 2160756008 COSZYGSOOHBALJ-ZETCQYMHSA-N 303.344 -0.495 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1N=c1cc[nH]c(C)c1[N+](=O)[O-] 2183318262 PDRMYKAPGXIJMY-UWVGGRQHSA-N 301.324 -0.056 5 10 DBBE CN(NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-])S(C)(=O)=O 2365287210 VXKLLCBHWOJSPM-UHFFFAOYSA-N 324.340 -0.738 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NCc2nnn[nH]2)c1 44930722 BQHWIQHHSYXYNZ-UHFFFAOYSA-N 302.247 -0.275 5 10 DBBE NC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(F)(F)F 594451274 HSTPZWUSAGFOML-SSDOTTSWSA-N 308.216 -0.238 5 10 DBBE COC[C@@H](O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599269849 WCGLQWXHBJINNA-ZETCQYMHSA-N 308.316 -0.996 5 10 DBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1COCCC1=O 600387436 FIYPJMRXDBWJIH-LLVKDONJSA-N 321.289 -0.201 5 10 DBBE O=C(NC[C@H]1CNC[C@H]1O)c1ccnc(Cl)c1[N+](=O)[O-] 702820218 UTZQXRROMSJKFS-HTRCEHHLSA-N 300.702 -0.047 5 10 DBBE CON(C)C(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859404005 KARHWBXOYJNCJS-LURJTMIESA-N 321.315 -0.985 5 10 DBBE O=C(CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)NCCO 1149907714 CHVKOSXEMGBOMN-NEPJUHHUSA-N 307.306 -0.077 5 10 DBBE O=[N+]([O-])c1cnc(N2CCS(=O)(=O)C[C@@H]2CCO)nc1 1187677527 MYNYXZJMTHCWKX-QMMMGPOBSA-N 302.312 -0.629 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)C[C@@H]2CCOC2)n1 1261816604 PKGHGIVLVYJBEA-ZETCQYMHSA-N 318.311 -0.440 5 10 DBBE Cc1ccn(CC(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1298397281 OIGXLAOXBUYMLP-JGLYPNHGSA-N 321.337 -0.355 5 10 DBBE Cn1c(=O)nc(O)c2c1nc([N+](=O)[O-])n2CC(=O)N1CCCC1 1459313895 PLSBCEOJTBGYDU-UHFFFAOYSA-N 322.281 -0.634 5 10 DBBE Cc1nn(C)c(C)c1[C@H](O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 1472362263 HOIPSPQXSOBJNQ-LLVKDONJSA-N 322.325 -0.009 5 10 DBBE CCCN(C)CC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1579139453 BGTRCHBVHYPPAN-DIACKHNESA-N 324.381 -0.434 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2[C@@H]1CCCN2CCO 1603335982 JPTGKOVIHYRAND-QWRGUYRKSA-N 324.341 -0.756 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C(N)=O)C2)n1 1634979258 FQWTWYOKNQMWGD-MRVPVSSYSA-N 310.314 -0.058 5 10 DBBE NC(=O)C[C@H]1COCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1642973710 YYQKAFOGCJSTBF-WCQYABFASA-N 323.305 -0.269 5 10 DBBE COc1nccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1688357034 YPDFETUDLKYYOP-PSASIEDQSA-N 323.309 -0.661 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)NN2CCNCC2)cc1 2145592978 HBVDPQYOKZHVCO-UHFFFAOYSA-N 300.340 -0.166 5 10 DBBE C[C@H]1[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 2182524005 QTIIVWAOYOITPK-RCOVLWMOSA-N 302.312 -0.366 5 10 DBBE COCCNC[C@H](O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 123674842 FTNCLNBFXVSKKL-NSHDSACASA-N 318.351 -0.035 5 10 DBBE Cc1nn(CCC(=O)NC[C@@H]2CNC[C@@H]2O)c(C)c1[N+](=O)[O-] 262123338 FZXCDLFPPCQDAX-QWRGUYRKSA-N 311.342 -0.505 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1COC[C@@H]1O 323439306 SCLJNPMJYLIGIB-BDAKNGLRSA-N 303.296 -0.785 5 10 DBBE NC(=O)[C@]1(O)CCCN(c2cc(CO)sc2[N+](=O)[O-])C1 404362015 FNGMFQHPBNVBNQ-NSHDSACASA-N 301.324 -0.035 5 10 DBBE COCC[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593591584 XDFJSKAKWIKEIP-MRVPVSSYSA-N 305.312 -0.335 5 10 DBBE COC[C@](C)(CO)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 716856915 VISOVDFDFCZXBD-JTQLQIEISA-N 305.312 -0.335 5 10 DBBE CCN(OC)C(=O)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 828174878 WTFSCLAYXPLGCD-UHFFFAOYSA-N 318.311 -0.322 5 10 DBBE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 863826909 ALCIFNBDDWEGNY-OPRDCNLKSA-N 305.356 -0.561 5 10 DBBE O=C1C[C@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CN1 1118381835 NHYZSBWZLACOFJ-ZETCQYMHSA-N 300.296 -0.596 5 10 DBBE CNC(=O)CN(CC(=O)NC)Cc1csc([N+](=O)[O-])c1 1308049434 FVTSUKSLRQFYAM-UHFFFAOYSA-N 300.340 -0.050 5 10 DBBE C[C@]1(CO)C[C@H](O)CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1453750681 VRSBLFZZAUEYBZ-XUOSJQGZSA-N 304.690 -0.071 5 10 DBBE O=C1NC(=O)[C@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])C[C@@H]12 1472788938 AXZNQKACZSFVBP-OCAPTIKFSA-N 301.262 -0.049 5 10 DBBE Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n(C)n1 1506049142 POCNILZZIBWRIC-NXEZZACHSA-N 321.337 -0.228 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCN1CCOCC1 1628423017 FUGMOTZJEKMHTP-UHFFFAOYSA-N 311.342 -0.062 5 10 DBBE CCCc1[nH]nc(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c1[N+](=O)[O-] 1636014847 RDJFHXYECJPGLF-KNVOCYPGSA-N 321.293 -0.385 5 10 DBBE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1638333477 FVTOZEICAZJCGJ-ZJUUUORDSA-N 311.342 -0.145 5 10 DBBE Cn1ncnc1CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1643718689 NPYBJCNXXHJBQQ-UHFFFAOYSA-N 320.309 -0.366 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)n1 1648402182 KEMULJGMTLUCGK-MNOVXSKESA-N 323.353 -0.001 5 10 DBBE C[C@H]1C(=O)N(C)S(=O)(=O)N1Cc1cccnc1[N+](=O)[O-] 1651943749 NRJSEYNWWOPDJC-ZETCQYMHSA-N 300.296 -0.103 5 10 DBBE COc1cc([N+](=O)[O-])cn(CC(=O)NC2CCN(C)CC2)c1=O 1652137299 WLCNUDJYASCHSG-UHFFFAOYSA-N 324.337 -0.025 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ncc[nH]1 1703578359 JVSMCWBNFYIWFH-NXEZZACHSA-N 309.326 -0.418 5 10 DBBE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1O)c1cc([N+](=O)[O-])cs1 2121335099 XEEAOWMIUFUEPI-BQBZGAKWSA-N 306.321 -0.456 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNCC[C@@H]2O)cc1 2183271675 OMBIGOWCUZVZOR-QWRGUYRKSA-N 301.324 -0.404 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1ncnc(F)c1[N+](=O)[O-] 2192658866 QZCGZVCXMWBYQR-NTSWFWBYSA-N 305.291 -0.679 5 10 DBBE CS(=O)(=O)C[C@@H](N)C(=O)Nc1ccnc(Cl)c1[N+](=O)[O-] 2360518464 CEWFBDTYTUZBFU-RXMQYKEDSA-N 322.730 -0.046 5 10 DBBE O=C(O)[C@H](CO)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 21804536 HTWSAQYYBPEGQT-ZETCQYMHSA-N 308.243 -0.542 5 10 DBBE COC[C@@H](O)CNC[C@H](O)Cn1nc(C)c([N+](=O)[O-])c1C 71272901 JIIDNJYCIQCZNI-QWRGUYRKSA-N 302.331 -0.634 5 10 DBBE C[C@@H](O)[C@@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 80737660 SROQXIYDEOVCKE-MUWHJKNJSA-N 307.303 -0.280 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H](CO)C1 167881870 ZLYZDZUACYYRAO-SECBINFHSA-N 317.323 -0.441 5 10 DBBE CN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 531888413 BZTXSGIEFWWDAQ-UHFFFAOYSA-N 321.337 -0.116 5 10 DBBE Cc1c(NC(=O)C(=O)N[C@H]2CCNC2=O)cccc1[N+](=O)[O-] 595071072 NXSCGJIQYDSYLF-VIFPVBQESA-N 306.278 -0.154 5 10 DBBE CN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1=O 596504306 MYQSNTZOWPLYTP-UHFFFAOYSA-N 310.314 -0.335 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1nc(N)ncc1[N+](=O)[O-] 696994172 GYHAHSIBZFSXAF-CAHLUQPWSA-N 303.300 -0.809 5 10 DBBE CCC(C)(C)NC(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1267644657 BZSTZHCQTOSKOA-GHMZBOCLSA-N 312.370 -0.243 5 10 DBBE CN(C(=O)CCn1cncn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1299313041 OTGPAWWKWPWTFY-GHMZBOCLSA-N 322.325 -0.997 5 10 DBBE CN1CC2(CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C2)OC1=O 1299511005 SCNXWYSEVVQQBJ-UHFFFAOYSA-N 307.266 -0.151 5 10 DBBE CN1CCn2c(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)nnc2C1=O 1303241853 BPSLOTFVXPFYMJ-UHFFFAOYSA-N 319.281 -0.470 5 10 DBBE Cc1ccnc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1357773376 DLIOQOSPXZNVPD-WUNPDAOYSA-N 319.321 -0.148 5 10 DBBE Cc1cc(C)n(CC(=O)NCCn2cc([N+](=O)[O-])cn2)c(=O)n1 1622414851 SUZHAHSMVODZKB-UHFFFAOYSA-N 320.309 -0.219 5 10 DBBE CN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 1634202234 FMALSONDLWWSDW-CHWSQXEVSA-N 309.322 -0.237 5 10 DBBE CN(C)CCCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1689668005 DYQSLQTYXWQQDS-VXGBXAGGSA-N 312.370 -0.337 5 10 DBBE NCC1CN(S(=O)(=O)Nc2c(O)cccc2[N+](=O)[O-])C1 2161189292 ZHUGATFMQVGGPU-UHFFFAOYSA-N 302.312 -0.152 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[P@](C)(=O)C[C@H]1O 2186551461 MEFKBYPDXMPFTK-XMTZQAPESA-N 302.227 -0.206 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CC([N+](=O)[O-])C2)ccc1O 2191526518 UGUOSTUPUWZHIF-UHFFFAOYSA-N 303.252 -0.050 5 10 DBBE CS(=O)(=O)[C@H]1C[C@H](CN=c2[nH]cc([N+](=O)[O-])c(=N)[nH]2)C1 2192326914 ZRIQBIKCUKETLI-LJGSYFOKSA-N 301.328 -0.546 5 10 DBBE O=C(O)[C@H](Nc1cncc([N+](=O)[O-])c1)C1CS(=O)(=O)C1 2197523661 GACMKXIEXGABHU-SECBINFHSA-N 301.280 -0.101 5 10 DBBE Nc1nc[nH]c(=NCCCS(=O)(=O)C(F)F)c1[N+](=O)[O-] 2237640818 SFZHKAVTHBMROU-UHFFFAOYSA-N 311.270 -0.172 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]2[C@@H](O)CO)c1 2286213307 REFJEAOCEHUMKP-MNOVXSKESA-N 302.308 -0.289 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1N[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 13476170 ZRDULDSITSDCQB-KVSVUVNWSA-N 314.294 -0.885 5 10 DBBE CS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50620693 PYENMQBIQAORMP-UHFFFAOYSA-N 323.352 -0.500 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](N)[C@H](C)O 80737723 GMUUPOSZAMBQHE-WCBMZHEXSA-N 303.340 -0.110 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C(=O)NC[C@H]2C1 431827195 BTTFLWBCGKTJOP-QMMMGPOBSA-N 306.282 -0.698 5 10 DBBE CN(C[C@H]1COCCO1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599341385 JGLMKJKMMFFEKN-QMMMGPOBSA-N 320.327 -0.636 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H](O)CO 698918621 KIVLMONFXKCSCU-SCZZXKLOSA-N 304.324 -0.077 5 10 DBBE Cn1ncc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 807440022 CNIOSQAYAXUFIB-UHFFFAOYSA-N 304.266 -0.022 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OC[C@@H]1CC(=O)N(C2CC2)C1 1263377854 NQKRWOHYVBHLOV-MRVPVSSYSA-N 309.282 -0.260 5 10 DBBE CC[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC 1299427245 WFHYKZVHDYBALZ-NSHDSACASA-N 322.321 -0.035 5 10 DBBE NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1584209709 OPWJTURDFNHJQV-IJLUTSLNSA-N 310.354 -0.408 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CO)CN2CCOCC2)n1 1625874235 JWSHMHZRQMEIQQ-NSHDSACASA-N 324.337 -0.279 5 10 DBBE C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@H]1CN(C)CCN1C 1628390745 YOZUUWKCFHXWNV-MWLCHTKSSA-N 322.369 -0.064 5 10 DBBE O=C1NC[C@@H](O)CC12CCN(CCn1ccc([N+](=O)[O-])n1)CC2 1654981049 DKYNDOPZIHHUIS-NSHDSACASA-N 323.353 -0.246 5 10 DBBE C[S@](=O)(=NC(=O)CCn1cnc([N+](=O)[O-])c1)C1CNC1 1924607185 QREKRZVOARHJGJ-HXUWFJFHSA-N 301.328 -0.222 5 10 DBBE NNc1ccc([N+](=O)[O-])c(NC[C@H]2CCS(=O)(=O)N2)c1 2206775217 GIMUBXQGOZCFQV-MRVPVSSYSA-N 301.328 -0.016 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)c1 93091794 OLNPIIVELHSXFH-DTORHVGOSA-N 306.271 -0.540 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 136252130 LMADUBVSXFFLJC-LURJTMIESA-N 302.312 -0.281 5 10 DBBE Cc1cc(NC(=O)CN(C)C(=O)c2nn(C)cc2[N+](=O)[O-])no1 344609678 VPLPTTHLBDVMRJ-UHFFFAOYSA-N 322.281 0.335 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H](O)COc1ccccc1 532402602 OXFGIBKEOSWIDH-SNVBAGLBSA-N 321.293 -0.258 5 10 DBBE CO[C@@]1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCOC1 599278661 LZIDMPWORIDJGJ-SNVBAGLBSA-N 320.327 -0.588 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)s1 611024351 FLDUWZXGZHTJAG-KNVOCYPGSA-N 308.337 -0.228 5 10 DBBE O=C(O)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCS1 699234343 LEAZPWWCNHZRJZ-MRVPVSSYSA-N 300.296 -0.180 5 10 DBBE CCON(CC)C(=O)CNC(=O)Cn1cnc([N+](=O)[O-])n1 862617997 POPXCHXDOSZCQG-UHFFFAOYSA-N 300.275 -0.898 5 10 DBBE O=C(Cc1ccon1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 940545168 BTRAKOWBELQMFX-VXGBXAGGSA-N 322.321 -0.057 5 10 DBBE C[C@@H]1NC(=O)[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C 1144385259 UBCWYAUKCAHHEA-IVZWLZJFSA-N 322.321 -0.120 5 10 DBBE CC(C)(CCC(=O)N1CCCN(CC(N)=O)CC1)[N+](=O)[O-] 1144558271 OCWKEJSQOBAIJY-UHFFFAOYSA-N 300.359 -0.159 5 10 DBBE O=C(CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)NCCO 1149907716 CHVKOSXEMGBOMN-NWDGAFQWSA-N 307.306 -0.077 5 10 DBBE CCN(CCNC(=O)c1cnon1)Cc1c([N+](=O)[O-])ncn1C 1266425102 BZUUTVYTHKCZOI-UHFFFAOYSA-N 323.313 -0.037 5 10 DBBE O=C1NC(=O)C2(CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)N1 1607386667 GRRJPOUGUMBALR-UHFFFAOYSA-N 308.225 -0.232 5 10 DBBE Cn1ncnc1C1(O)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 1636907122 RCXJRLLIOCBZBE-UHFFFAOYSA-N 304.266 -0.538 5 10 DBBE Cc1nccn1CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703579118 URPDCVANBYCECX-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC(S(N)(=O)=O)C1 1914990870 FYHSHWDZBSEBHD-UHFFFAOYSA-N 300.296 -0.710 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(c2ncnc(F)c2[N+](=O)[O-])C1 2170659371 DLWINZDVGPXGJW-ZCFIWIBFSA-N 305.291 -0.348 5 10 DBBE C[C@@H](NS(=O)(=O)c1cncc([N+](=O)[O-])c1)[C@H](O)C(=O)O 2176840527 HLFCPNQHDJSIFT-XRGYYRRGSA-N 305.268 -0.898 5 10 DBBE NNc1sc(S(=O)(=O)N2C[C@H]3COC[C@H]32)cc1[N+](=O)[O-] 2186370261 IJUIPHPOWXAOHY-CAHLUQPWSA-N 320.352 -0.039 5 10 DBBE O=C(O)Cc1csc(CNC(=O)N2CC([N+](=O)[O-])C2)n1 2191502600 DMZAOGURTKPHNE-UHFFFAOYSA-N 300.296 -0.059 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)CC(C)(C)CO)n1 2290043694 PVEUJAAYYATOSU-UHFFFAOYSA-N 306.344 -0.234 5 10 DBBE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)c1 236531493 QPZPNWUEJGKKAP-RKDXNWHRSA-N 322.726 -0.026 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)n1 427465780 PQHDFVGHLZIVRC-QMMMGPOBSA-N 321.293 -0.169 5 10 DBBE NC(=O)CN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1=O 837976918 GJYKNIGCSKDXBY-UHFFFAOYSA-N 324.268 -0.496 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CCO[C@H](Cn2ccnn2)C1 1148171694 XDSNQODJKNHZER-QMMMGPOBSA-N 307.270 -0.549 5 10 DBBE NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 1289438040 XLVJGIURGNSEJS-MRVPVSSYSA-N 314.323 -0.260 5 10 DBBE Cn1nccc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1299122690 HHYPXCPHCVZUKJ-PSASIEDQSA-N 307.310 -0.536 5 10 DBBE O=C1NCC2(CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C2)O1 1327405205 SQWGKLYVMIVRKH-UHFFFAOYSA-N 314.279 -0.527 5 10 DBBE O=C(CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)NCC1CC1 1446954579 FLTSJPKRCDHWGT-UHFFFAOYSA-N 308.294 -0.601 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCS(=O)(=O)CCO1 1586542679 YOKJZDAAXIRCHT-UHFFFAOYSA-N 318.311 -0.712 5 10 DBBE CN1C(=O)[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]2C1=O 1659824924 QLHHFPWLPRZAAD-PHIMTYICSA-N 320.305 -0.697 5 10 DBBE CN(CCNC(=O)c1csc(O)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688367050 RHYGRNKVVHAHQL-HTRCEHHLSA-N 314.323 -0.298 5 10 DBBE C/C=C(/C)C(=O)N1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1737336914 GPKJLMCDYRWYFX-XKFUZFNKSA-N 324.381 -0.122 5 10 DBBE COc1cc(NC(=O)[C@@H](N)CC(N)=O)c([N+](=O)[O-])cc1OC 1866106312 WXKXWVRDYRWUEA-LURJTMIESA-N 312.282 -0.247 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCN)CCO 2152163326 WBEATBJQOJPHMV-UHFFFAOYSA-N 303.340 -0.155 5 10 DBBE CN=c1[nH]c(N=[S@@]2(=O)CC[C@H](CN)C2)ncc1[N+](=O)[O-] 2173818974 TXNWPAZVSGPCFW-JLPJYYFKSA-N 300.344 -0.074 5 10 DBBE N[C@@H]1CS(=O)(=O)C[C@@H]1Oc1nc2sccn2c1[N+](=O)[O-] 2177957649 AWPUMVQYLRHBOG-RITPCOANSA-N 318.336 -0.193 5 10 DBBE O=C1NCC[C@H]1CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 2200822235 RFHCOPRJCJZEAY-ZETCQYMHSA-N 300.296 -0.596 5 10 DBBE C[C@@H](NS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-])C(N)=O 37930043 NXAZWILOUVVCJS-RXMQYKEDSA-N 303.300 -0.968 5 10 DBBE Cn1cnnc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50661888 OLECOMGXETWYCT-UHFFFAOYSA-N 312.311 -0.216 5 10 DBBE CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 167826884 LKCCYMNBWDEJFW-UHFFFAOYSA-N 301.328 -0.346 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCN1CC2 188489363 SOPYFYGBTMFMBP-NSHDSACASA-N 305.338 -0.093 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1COC[C@@H]1O 323126717 OABOBYUJQJQVHT-WPRPVWTQSA-N 302.308 -0.059 5 10 DBBE O=C1[C@H]2CCCCN2C(=O)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 438793702 RBDSPZZDGCBSSU-WDEREUQCSA-N 323.309 -0.031 5 10 DBBE COC(=O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 539923177 QOTIJIKTQIVTGO-UHFFFAOYSA-N 315.307 -0.016 5 10 DBBE NC(=O)CN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 611525735 HZWGTGXESGAMGY-UHFFFAOYSA-N 309.326 -0.723 5 10 DBBE CN(C)C(=O)CCN1CCN(Cn2nccc2[N+](=O)[O-])CC1 760413113 ACGBCAUBANUNGV-UHFFFAOYSA-N 310.358 -0.155 5 10 DBBE C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C(=O)O1 845936257 WDTNXFXUXFXBSN-POYBYMJQSA-N 301.280 -0.028 5 10 DBBE CN(C1CCNCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334932267 AWNVIFZROIPCEK-UHFFFAOYSA-N 303.344 -0.299 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCOCC1 1357489246 WNQSCYWWVZUPEY-JZIZGNRHSA-N 311.338 -0.133 5 10 DBBE O=C(c1cc([N+](=O)[O-])cnc1O)N1CC(N[C@@H]2CCOC2)C1 1472624794 WXLWQMDGXOJZMP-MRVPVSSYSA-N 308.294 -0.102 5 10 DBBE CCN(C)CCC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1530900892 YQKPEXCDVGLGIO-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE NNc1cccc(S(=O)(=O)NCC2COC2)c1[N+](=O)[O-] 2154129099 HNUILXBNNMZVMA-UHFFFAOYSA-N 302.312 -0.195 5 10 DBBE NS(=O)(=O)c1cn(C[C@H]2CCCC(=O)N2)nc1[N+](=O)[O-] 2156821056 PJTQWJJMZBSPDA-ZCFIWIBFSA-N 303.300 -0.893 5 10 DBBE CN=c1[nH]c(O[C@@H]2C[P@@](C)(=O)C[C@H]2N)ncc1[N+](=O)[O-] 2184672694 IOWWFARMSHNQBG-XMTZQAPESA-N 301.243 -0.070 5 10 DBBE COc1nccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)c1[N+](=O)[O-] 2288671275 ZWYMUKSGHYBHLK-YUMQZZPRSA-N 303.296 -0.432 5 10 DBBE COC[C@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50677973 UTVLLSMHYCSIPW-SECBINFHSA-N 319.339 -0.195 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F 147414082 KWJVJSYAHBIAKP-UHFFFAOYSA-N 321.290 -0.737 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CCOCC2)C1 172763021 QFUZCCDDBROWJO-NSHDSACASA-N 309.326 -0.276 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 176248071 GKDPOMMYGFBATL-SECBINFHSA-N 303.344 -0.585 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CN2CCCN1CC2 619874092 YQMPVMUWWDGFFL-LBPRGKRZSA-N 322.369 -0.394 5 10 DBBE CCN(CCNC(=O)c1cn(C)cn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296287147 NUZQUROZCUJVFV-MWLCHTKSSA-N 309.326 -0.336 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)n1 1329058736 COHPBFDNQBZJFN-ZJUUUORDSA-N 309.326 -0.391 5 10 DBBE CNC(=O)NC[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 1455078876 OBGANJGUBGFORE-MRVPVSSYSA-N 311.298 -0.307 5 10 DBBE O=C1NCCO[C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)[C@H]12 1460672175 QWQMLNUTFCOTGN-RYUDHWBXSA-N 309.326 -0.229 5 10 DBBE COC(=O)[C@@](C)(CO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1629648963 DRNWVRMEAACNKQ-GXFFZTMASA-N 312.278 -0.332 5 10 DBBE CN1C[C@@H](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 1634990832 WUHSTHYQYAWQKU-JTQLQIEISA-N 322.321 -0.259 5 10 DBBE O=C(N[C@@H]1C[C@H](O)[C@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1645878588 KPSKMFMHZAXUQC-FJPPDTINSA-N 324.289 -0.020 5 10 DBBE NC(=O)C(=O)NC1(CCO)CN(Cc2cccc([N+](=O)[O-])c2)C1 1675093385 DMZMXQASYKYTGZ-UHFFFAOYSA-N 322.321 -0.867 5 10 DBBE CCOCC(=O)N[C@H]1[C@@H]2CN(Cc3c([N+](=O)[O-])ncn3C)C[C@@H]21 1714156457 BEIYJFULZQNKNE-IWIIMEHWSA-N 323.353 -0.089 5 10 DBBE Cc1cn(C)nc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758171591 IFRWHFPCBPFUEP-NXEZZACHSA-N 309.326 -0.370 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)cn1 2161389837 AQKPSXKIWONCBU-OCAPTIKFSA-N 303.296 -0.894 5 10 DBBE O=[N+]([O-])c1cncc(Cl)c1N1CC2(C1)OC[C@H](O)[C@H]2O 2183728468 PXQIHGAPUKHYBF-WCBMZHEXSA-N 301.686 -0.046 5 10 DBBE O=Cc1cc([N+](=O)[O-])ccc1O[C@H]1CS(=O)(=O)C[C@H]1O 37693047 RKRRVKKSPICWJO-KOLCDFICSA-N 301.276 -0.056 5 10 DBBE COCCS(=O)(=O)CCn1cc([N+](=O)[O-])c(C(=O)O)n1 312484528 OGAFTLJYNFEGSG-UHFFFAOYSA-N 307.284 -0.449 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2COC[C@@H]2O)cc1 323129688 QIEHHEUUSGWEJV-QWRGUYRKSA-N 302.308 -0.226 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CNC[C@@H]2O)cc1 699963268 UEHISYLOWGSJBG-QWRGUYRKSA-N 301.324 -0.653 5 10 DBBE CCN1C[C@H](Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)OC1=O 848429302 OYWRXQNUPWKLRE-MRVPVSSYSA-N 310.266 -0.304 5 10 DBBE C[C@@H]1CC(=O)NN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 1136141378 ZZHSKBQHIKIRRV-MRVPVSSYSA-N 306.278 -0.023 5 10 DBBE NS(=O)(=O)C1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 1161529272 UNZWFPPJBKYURF-UHFFFAOYSA-N 314.323 -0.494 5 10 DBBE CCc1nn(C)c(N2CC3(C[C@H](O)CNC3=O)C2)c1[N+](=O)[O-] 1164146476 VQIHWRNOTJMNCR-QMMMGPOBSA-N 309.326 -0.422 5 10 DBBE CNc1nccc(C(=O)N2C[C@H](O)C[C@]2(C)CO)c1[N+](=O)[O-] 1301122292 QBQLSACUROHTCB-AMIZOPFISA-N 310.310 -0.011 5 10 DBBE C[C@@H](CS(C)(=O)=O)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 1318737193 SAZJZTYBEWYCSH-ZETCQYMHSA-N 305.316 -0.922 5 10 DBBE Cn1ncnc1CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1329046069 OYVDZVCTHPXYMW-UHFFFAOYSA-N 320.309 -0.366 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(n3ccnc3)C2)n1 1329225285 NUTDHBIPYQRYJZ-UHFFFAOYSA-N 312.311 -0.230 5 10 DBBE CCc1nn(C)c(NC[C@@H](O)CS(C)(=O)=O)c1[N+](=O)[O-] 1472892470 UQQZNAXNHDRPAJ-SSDOTTSWSA-N 306.344 -0.292 5 10 DBBE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] 1538258187 CPAXGXJDOUMJJE-RQJHMYQMSA-N 302.312 -0.509 5 10 DBBE O=C1COC[C@]2(CNc3ccnc(O)c3[N+](=O)[O-])COCCN12 1655772971 KBECSRCTZORUJT-ZDUSSCGKSA-N 324.293 -0.265 5 10 DBBE O=C(CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1ccon1 1713192047 FLQUKEKJSVLEKB-UTINFBMNSA-N 323.309 -0.485 5 10 DBBE CCN(C)CCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1758674931 VCLSSZAZDNKTSX-DDHJBXDOSA-N 312.370 -0.243 5 10 DBBE NC(=O)C1(O)CN(C(=O)c2ccnc(Cl)c2[N+](=O)[O-])C1 1915222714 ACQABCALAXFJSR-UHFFFAOYSA-N 300.658 -0.685 5 10 DBBE NCC1(O)CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 2154726767 RDSAPTWKXHMBGL-UHFFFAOYSA-N 305.287 -0.572 5 10 DBBE NS(=O)(=O)c1ccc(N[C@@H](CO)C(=O)O)c([N+](=O)[O-])c1 2175195358 IXWMXBXPWZNJJA-ZETCQYMHSA-N 305.268 -0.900 5 10 DBBE NS(=O)(=O)c1cn(C[C@@]23CCOC[C@@H]2C3)nc1[N+](=O)[O-] 2194491760 FPCUQMDRNSRKAJ-XVKPBYJWSA-N 302.312 -0.135 5 10 DBBE COC(=O)[C@@H](N)CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1 2286011615 GOTOGUSMFGBSSG-VIFPVBQESA-N 303.296 -0.163 5 10 DBBE CNc1ccc(S(=O)(=O)NCCC(N)=O)cc1[N+](=O)[O-] 50656355 LVNREGKRXQJJFX-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE O=C(CN1C[C@H](O)C[C@@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 179178962 UCYLAEQAFMBRAQ-CHWSQXEVSA-N 321.333 -0.089 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)CN1CCOCC1 339213021 HTQWPEGOROKCEZ-CYBMUJFWSA-N 323.349 -0.053 5 10 DBBE NC(=O)C(NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(N)=O 695294738 KDDUMGJZERTIAU-UHFFFAOYSA-N 300.658 -0.683 5 10 DBBE C[S@@](=O)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCC1 1116893772 VZRHPKXVTYIIAJ-HXUWFJFHSA-N 301.328 -0.396 5 10 DBBE CN(CCNC(=O)CCc1cnccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1284589253 WKIOUMRNMPQWNC-VXGBXAGGSA-N 321.337 -0.351 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H](NS(C)(=O)=O)C1 1307178213 FVJHRMKPUMPFKR-MRVPVSSYSA-N 303.344 -0.154 5 10 DBBE COC(=O)[C@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 1472858557 COOUSGRWGMKCLX-LDYMZIIASA-N 309.278 -0.194 5 10 DBBE CCCCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1491313466 AVRIPGRIGDLGDI-DIACKHNESA-N 324.381 -0.386 5 10 DBBE O=C(NC[C@]1(CO)COCCN1)c1cc(F)ccc1[N+](=O)[O-] 1635746575 QLBACDBHIJFPCW-ZDUSSCGKSA-N 313.285 -0.185 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](CO)Cc1cnn(C)c1 1643146771 FWOONNLETMCGJP-NSHDSACASA-N 322.325 -0.447 5 10 DBBE O=C(CCn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CC(O)C1 1873796553 ICHQNVOWMFPFOP-UHFFFAOYSA-N 318.289 -0.102 5 10 DBBE NC1CC(O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 2163557110 VQACCZURDUFZQP-UHFFFAOYSA-N 301.324 -0.275 5 10 DBBE C[S@@](=O)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2N)C1 2171956048 DKFUJLUKBDVCNJ-LJQANCHMSA-N 319.364 -0.072 5 10 DBBE N[C@H](CS(=O)(=O)Nc1cc(F)ccc1[N+](=O)[O-])C(=O)O 2286031295 MUHKXCCPGUZREY-ZCFIWIBFSA-N 307.259 -0.113 5 10 DBBE CNC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCO1 126103314 NRLQCBVGRXSMOX-SECBINFHSA-N 316.339 -0.401 5 10 DBBE CCC(CO)(CO)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 232871297 DSRADZCMWYHBJH-UHFFFAOYSA-N 305.312 -0.599 5 10 DBBE CS(=O)(=O)CCCNC(=O)c1cc([N+](=O)[O-])ncc1N 312343502 RBCNIVPHPZLORZ-UHFFFAOYSA-N 302.312 -0.264 5 10 DBBE CCN1C(=O)[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2C1=O 364825853 CSQPNOBGZPGTBM-LLVKDONJSA-N 322.325 -0.240 5 10 DBBE CNC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CCO1 374745081 VMIPZTHYQCIEML-LLVKDONJSA-N 308.294 -0.115 5 10 DBBE C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593565450 IFKKGDWELCCKAO-WPRPVWTQSA-N 317.323 -0.240 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[C@@H](N(C)C)C2)n1 599337474 XIPCMBSKSVOJAV-DTORHVGOSA-N 317.371 -0.053 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnnn1C 1266560733 VBMCCNJBIDUECV-VXGBXAGGSA-N 310.358 -0.192 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C1=CCS(=O)(=O)C1 1445716028 QDMJQHJJTOXJCB-UHFFFAOYSA-N 300.296 -0.738 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCCc1nc[nH]n1 1448356852 TYHGPQPPUCOXAH-UHFFFAOYSA-N 306.282 -0.376 5 10 DBBE CN(C)C[C@@]1(O)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1471374772 VNQCWYDHNVVHKH-AWEZNQCLSA-N 324.337 -0.719 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnccn1 1689582757 IHKLCVQITIDNHC-PSASIEDQSA-N 305.294 -0.480 5 10 DBBE Cn1cncc1CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1689583165 ZHEYCHPMAPFRFC-GHMZBOCLSA-N 321.337 -0.607 5 10 DBBE O=C(CCn1ccnc1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1705034288 AEJCDEHNCYNAGK-NUYITTKVSA-N 321.337 -0.273 5 10 DBBE N[C@@H]1CS(=O)(=O)C[C@@H]1Oc1nc(Cl)ncc1[N+](=O)[O-] 2128225190 JBZXZYZOKZPEDO-XINAWCOVSA-N 308.703 -0.459 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1CN1C(=O)CCS1(=O)=O 2145903821 QDUIJDJKDSOROX-UHFFFAOYSA-N 300.296 -0.058 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(c2nc(F)ncc2[N+](=O)[O-])C1 2170661068 YOWWXHCKJJYSIL-ZCFIWIBFSA-N 305.291 -0.348 5 10 DBBE CNS(=O)(=O)C1CN(c2cccc(NN)c2[N+](=O)[O-])C1 2187314242 KWYDDDICMQVNSO-UHFFFAOYSA-N 301.328 -0.382 5 10 DBBE C[C@H](CS(N)(=O)=O)N=c1ccn2ncc([N+](=O)[O-])c2[nH]1 2295877917 LPJOPKVQAIYVMB-ZCFIWIBFSA-N 300.300 -0.852 5 10 DBBE COc1ncnc(OCCS(=O)(=O)CCN)c1[N+](=O)[O-] 2360918497 BVGCUJQYGLTYJG-UHFFFAOYSA-N 306.300 -0.854 5 10 DBBE CO[C@@H](CN)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2365474078 JYSAOXCFSYTNSD-NSHDSACASA-N 303.340 -0.012 5 10 DBBE CNC(=O)CNS(=O)(=O)c1cc(NC)ccc1[N+](=O)[O-] 50654638 QEQHQBAOJCBJOJ-UHFFFAOYSA-N 302.312 -0.339 5 10 DBBE CCOC(=O)[C@@H](CCOC)NC(=O)Cn1cc([N+](=O)[O-])cn1 281603798 VXWBCMNIOYWIGO-SNVBAGLBSA-N 314.298 -0.124 5 10 DBBE CCn1cc(S(=O)(=O)N2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])n1 492358423 RQPYTDCCKKPOIY-SECBINFHSA-N 316.339 -0.043 5 10 DBBE CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594754905 PPUDRCISEWLSOS-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE CC1(C(N)=O)CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598631983 WTSBOTKTAKEDLC-UHFFFAOYSA-N 322.325 -0.467 5 10 DBBE CN1CCOC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 600050467 KRZGQPIFTLRFGK-LBPRGKRZSA-N 322.321 -0.020 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COCCO2)nc1 845827032 YVTUINQYNSTCBH-VIFPVBQESA-N 303.296 -0.317 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C(=O)OCC2(C)C)n1 859185845 RCZSAHBEBLQVLE-SSDOTTSWSA-N 318.311 -0.442 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(=O)NCC12COC2 1438862818 ZGERNZJQJDHERS-UHFFFAOYSA-N 308.294 -0.336 5 10 DBBE CC(C)n1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1491697098 NEGYIDGWTJVMAJ-MWLCHTKSSA-N 324.341 -0.240 5 10 DBBE C[C@]12CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@]1(C)C(=O)NC2=O 1642489441 NUOTWTUXDHNPDP-CHWSQXEVSA-N 321.293 -0.698 5 10 DBBE O=C(CN1CCCC1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1722068903 JMWLQIZWPRNDPS-GHMZBOCLSA-N 310.354 -0.488 5 10 DBBE CN(CC(C)(C)CNC(=O)c1cnn[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1725937612 QLRBSBHAKQVQNW-PSASIEDQSA-N 324.341 -0.316 5 10 DBBE CC(C)CO[C@@H](CC(=O)N[C@@H]1CONC1=O)C[N+](C)(C)C 1851745101 VMICFHQJDVZNDX-NWDGAFQWSA-O 302.395 -0.330 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c1 1889917767 OODMTLKHQUSSAT-UWVGGRQHSA-N 319.273 -0.052 5 10 DBBE O=C1CN(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CCN1 1889939889 YQAQSJKTXBXHSF-UHFFFAOYSA-N 304.306 -0.149 5 10 DBBE C[C@@H]([C@@H](C)N=c1[nH]c(NN)ncc1[N+](=O)[O-])S(C)(=O)=O 2170587518 CIHDJJLJSYJJMW-RITPCOANSA-N 304.332 -0.674 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1nccc(N)c1[N+](=O)[O-] 2192654011 AUCBKAVXNXYSGT-JGVFFNPUSA-N 301.328 -0.631 5 10 DBBE CS(=O)(=O)N1CC[C@H](Oc2cc(N)c([N+](=O)[O-])cn2)C1 2285605585 UGZPHBWHAOBZDP-ZETCQYMHSA-N 302.312 -0.015 5 10 DBBE CCn1ncc([N+](=O)[O-])c1N[C@H](CS(C)(=O)=O)C(=O)O 2360622470 OCSUGAYWZHOECA-ZCFIWIBFSA-N 306.300 -0.279 5 10 DBBE CN=c1nc(NN(C)S(=O)(=O)C2CC2)c([N+](=O)[O-])c[nH]1 2365265271 QDCQRUXSFLKUBI-UHFFFAOYSA-N 302.316 -0.401 5 10 DBBE Nc1cc(S(=O)(=O)N2CCO[C@H](CO)C2)ccc1[N+](=O)[O-] 132952802 VSWDDVVTEODCJP-QMMMGPOBSA-N 317.323 -0.441 5 10 DBBE NC(=O)[C@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 228575729 BMLJAZYVHMLUPT-SSDOTTSWSA-N 323.714 -0.627 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](CO)CN1CCOCC1 339213022 HTQWPEGOROKCEZ-ZDUSSCGKSA-N 323.349 -0.053 5 10 DBBE COC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 789912180 YAOADSVYZDJELX-UHFFFAOYSA-N 308.294 -0.079 5 10 DBBE CCON(C)C(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 849401096 PHBCZBTXZHINCS-UHFFFAOYSA-N 318.311 -0.322 5 10 DBBE Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CCNC1=O 850502583 XIKAXYJTKBXKRA-QMMMGPOBSA-N 324.268 -0.014 5 10 DBBE CCN(CCNC(=O)C1=COCCO1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296261785 BXTNHXQFJUIFEY-NXEZZACHSA-N 313.310 -0.496 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](N2CCC2)[C@@H](F)C1 1328361130 ZHYDODPUHDLLIN-UWVGGRQHSA-N 312.305 -0.169 5 10 DBBE Cc1ncc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C 1357814558 OBRHGNWPEYNEKN-YIZUVKHSSA-N 321.337 -0.204 5 10 DBBE NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1637342166 FPZNWEIPFFEDQN-ZJUUUORDSA-N 319.321 -0.240 5 10 DBBE CC[C@H](CNS(C)(=O)=O)NC(=O)c1c([N+](=O)[O-])cnn1C 1640968185 CASMGLAFJXKLAR-SSDOTTSWSA-N 319.343 -0.614 5 10 DBBE O=C(NC[C@]12COCCN1C(=O)OC2)c1n[nH]cc1[N+](=O)[O-] 1643884428 LRECTUGCMZRSPE-LLVKDONJSA-N 311.254 -0.731 5 10 DBBE O=C(NCC1(NCC(=O)N2CCCC2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1733716718 NRHPYXQEYUEYKG-VXGBXAGGSA-N 324.381 -0.098 5 10 DBBE CS(=O)(=O)c1ccc(NC2(CO)CNC2)c([N+](=O)[O-])c1 1918434292 UJBQGSYAJMRIOX-UHFFFAOYSA-N 301.324 -0.256 5 10 DBBE N[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 2144799015 NGRWSRAOTPKIFV-ZETCQYMHSA-N 304.284 -0.930 5 10 DBBE CN1[C@H](CN=c2[nH]c(F)ncc2[N+](=O)[O-])CCS1(=O)=O 2145346797 PHSJULFRQDXMSL-LURJTMIESA-N 305.291 -0.608 5 10 DBBE C[S@](=O)(=Nc1[nH]c(=N)ccc1[N+](=O)[O-])N1CCNCC1 2173926599 XRLWZLRMJKZTQL-FQEVSTJZSA-N 300.344 -0.048 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N=[S@@](C)(=O)CC1CNC1 2186527180 MOXNAPAQVMNOMU-FQEVSTJZSA-N 301.328 -0.214 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1CC[C@@](O)(CO)[C@@H](O)C1 2234102438 ZCJNOILQFKOYAP-GXSJLCMTSA-N 302.308 -0.414 5 10 DBBE CC(C)n1ncc([N+](=O)[O-])c1N[C@@H]1CS(=O)(=O)C[C@H]1O 2240590832 LKYALDZPVRVOQA-VXNVDRBHSA-N 304.328 -0.058 5 10 DBBE CNc1cc(C(=O)NCCS(N)(=O)=O)ccc1[N+](=O)[O-] 54414783 VLQSLSIXFSPCAH-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE Cn1cnnc1CNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126938715 KOCYKNGWHZSKNV-UHFFFAOYSA-N 312.311 -0.216 5 10 DBBE NC(=O)OCCNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 127058180 YBBUBYZOGBLXCL-UHFFFAOYSA-N 304.284 -0.449 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@](O)(C(F)(F)F)C1 330938131 BDNBQYOANMECSO-MRVPVSSYSA-N 309.204 -0.288 5 10 DBBE Cc1cc(OCC(=O)N2CC[C@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 367758684 WTSPNYXZANJHGE-CQSZACIVSA-N 323.305 -0.269 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CNC[C@@H]1O 699963293 UIMLQSVUKWIRML-ZJUUUORDSA-N 301.324 -0.486 5 10 DBBE CNC(=O)Cc1noc(Cn2cc([N+](=O)[O-])cc(C)c2=O)n1 1319808226 KUEWHSUQUAKONJ-UHFFFAOYSA-N 307.266 -0.215 5 10 DBBE COC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCOCC1 1329657038 SODJAPYKNKJWJP-SNVBAGLBSA-N 313.314 -0.256 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](CO)[C@H]1CCOC1 1624226469 RKXAFWGHNJZONT-ONGXEEELSA-N 311.294 -0.730 5 10 DBBE CC(C)OCCN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1716936213 GUOUTBZDROVNCZ-GHMZBOCLSA-N 301.343 -0.761 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN1CCC(C)(NC(=O)C(N)=O)CC1 1733360766 ZMPAQDOAGVTEKH-UHFFFAOYSA-N 324.341 -0.716 5 10 DBBE CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c(=O)n(C)c2)CC1 1892237462 LNGVFDOBGOOXNS-UHFFFAOYSA-N 308.294 -0.402 5 10 DBBE Nc1ccc(C(=O)N2CC(S(N)(=O)=O)C2)cc1[N+](=O)[O-] 1914992130 ZJGPXLYIKGPKLE-UHFFFAOYSA-N 300.296 -0.710 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCN)CCO 2152163809 YWQOBTDXXOSWBK-UHFFFAOYSA-N 303.340 -0.155 5 10 DBBE NC[C@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2153168924 WFAJDCCXBMDQCV-JTQLQIEISA-N 301.324 -0.057 5 10 DBBE NS(=O)(=O)c1cn(CCCn2ccnc2)nc1[N+](=O)[O-] 2156814817 HSZHFMVTFGAXOH-UHFFFAOYSA-N 300.300 -0.275 5 10 DBBE Cc1nc(Cl)nc(N2C[C@H](O)[C@H](O)[C@H]2CO)c1[N+](=O)[O-] 2201038972 SZAYARXGJFWTGM-GKROBHDKSA-N 304.690 -0.751 5 10 DBBE C[C@]1(Nc2nc(NN)ncc2[N+](=O)[O-])CCS(=O)(=O)C1 235763295 OZYQECPKOJGDND-VIFPVBQESA-N 302.316 -0.341 5 10 DBBE C[C@@H](O)[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 565842508 FQHAMMHVKMBQAT-BDAKNGLRSA-N 317.323 -0.240 5 10 DBBE CCn1ccnc1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 692735733 CRKVSNYNMWZFPY-UHFFFAOYSA-N 300.300 -0.297 5 10 DBBE CS(=O)(=O)CCCCNc1nc(NN)ncc1[N+](=O)[O-] 692820829 GMOBSBKRVCBDBJ-UHFFFAOYSA-N 304.332 -0.093 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCc2c(O)ncnc21 1132783826 XANWCWXHRGMXLO-UHFFFAOYSA-N 305.254 -0.339 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1c1nn[nH]n1 1302138070 WCNZHIHKURAKPD-VIFPVBQESA-N 307.270 -0.340 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2c2ncon2)n1 1341944812 KEPPCJICRUQKMO-MRVPVSSYSA-N 308.254 -0.075 5 10 DBBE Cc1cncn1CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1356822984 MRFUVCIOQDWQLW-VXGBXAGGSA-N 321.337 -0.569 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCC2CCS(=O)(=O)CC2)n1 1556090964 SYHDTHLNTZKAGA-UHFFFAOYSA-N 316.339 -0.117 5 10 DBBE C[C@H]1CS(=O)(=O)CCCN1c1ncc([N+](=O)[O-])c(N)n1 1612954432 CFCAUVHJERTDCV-ZETCQYMHSA-N 301.328 -0.020 5 10 DBBE COC[C@H](O)CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1635126727 NMYQVDCQJSMCPY-SNVBAGLBSA-N 321.293 -0.087 5 10 DBBE C[C@@]12CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@]1(C)C(=O)NC2=O 1642489440 NUOTWTUXDHNPDP-BETUJISGSA-N 321.293 -0.698 5 10 DBBE Cc1nc(N2CCS(=O)(=O)C[C@H]2CCO)ncc1[N+](=O)[O-] 1643210128 RMIHSKVCSYVZFT-SECBINFHSA-N 316.339 -0.321 5 10 DBBE O=C(Cc1cncs1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1704575422 OKNNJLZUGXJEQV-GHMZBOCLSA-N 324.362 -0.075 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(NC2CN(S(C)(=O)=O)C2)[nH]1 2145423529 KTEOLZSZLDGGIA-UHFFFAOYSA-N 301.328 -0.491 5 10 DBBE C[C@H](CS(N)(=O)=O)Nc1ccc(C(N)=O)c([N+](=O)[O-])c1 2152952723 IRQUYDHPOOBLPL-ZCFIWIBFSA-N 302.312 -0.217 5 10 DBBE NCC1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])COC1 2176836514 BAFCWPNUDHFWMP-UHFFFAOYSA-N 301.324 -0.152 5 10 DBBE CS(=O)(=O)CC1CC(Oc2ncc([N+](=O)[O-])c(=N)[nH]2)C1 2207490537 XKOIGPYVIJEXCW-UHFFFAOYSA-N 302.312 -0.001 5 10 DBBE NC[C@H](CO)NS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235877171 SFPSDIRSBHZDMR-RXMQYKEDSA-N 311.266 -0.529 5 10 DBBE O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1NC[C@@H](O)[C@H]1O 2357927098 XCAPXJXOIHPWPA-KXUCPTDWSA-N 301.686 -0.120 5 10 DBBE COc1ncnc(NCCS(=O)(=O)CCO)c1[N+](=O)[O-] 2360987531 TVABKGAVDJKPPS-UHFFFAOYSA-N 306.300 -0.788 5 10 DBBE NS(=O)(=O)CCS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 70214148 MWGQVABVVBYEIN-UHFFFAOYSA-N 312.300 -0.204 5 10 DBBE CN(Cc1ccccc1[N+](=O)[O-])C(=O)CN(CCO)CCO 178603890 NWYZFAZVIYDSFA-UHFFFAOYSA-N 311.338 -0.160 5 10 DBBE C[C@@H]1[C@@H](Nc2ncnc(NN)c2[N+](=O)[O-])CCS1(=O)=O 312912448 BBBODJCNXDOYKZ-RITPCOANSA-N 302.316 -0.342 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN2CCOC[C@@H]2C1 371868931 CPVKYVNFUNWTTN-LBPRGKRZSA-N 309.326 -0.276 5 10 DBBE COC[C@H](O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599269848 WCGLQWXHBJINNA-SSDOTTSWSA-N 308.316 -0.996 5 10 DBBE CCn1nnc(C)c1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 600055389 XLFAWJBFSWNARM-UHFFFAOYSA-N 320.309 -0.007 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN2C(=O)CC[C@H]2C1 1151024502 AHKJIXQVHZJSOR-JTQLQIEISA-N 307.310 -0.067 5 10 DBBE Cc1[nH]nc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)c1[N+](=O)[O-] 1158897438 AEXAKFCQUOCSHA-UHFFFAOYSA-N 314.323 -0.257 5 10 DBBE Cn1ccnc1C1(O)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 1302973739 WAKYXJGGVVBDLJ-UHFFFAOYSA-N 320.309 -0.355 5 10 DBBE NC(=O)c1cc(N2CCS(=O)(=O)CCO2)ccc1[N+](=O)[O-] 1458709074 MUFKGPAGBZZTDD-UHFFFAOYSA-N 315.307 -0.140 5 10 DBBE NC(=O)C1(O)CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 1586463220 UWLQDMMXXONWNK-UHFFFAOYSA-N 308.294 -0.545 5 10 DBBE CN1C[C@@H](C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)NC1=O 1632080949 QDFKWUORQKGILK-FZMZJTMJSA-N 322.321 -0.058 5 10 DBBE COC(=O)[C@@H](O)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 1637845404 SBOBKEYJQYXSKJ-VIFPVBQESA-N 300.271 -0.778 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(C(N)=O)C1 1638288715 LXHYIKXLHYNDED-QMMMGPOBSA-N 310.314 -0.151 5 10 DBBE CCn1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1759699311 OJSUICSDKJRFLD-IDFWJGBYSA-N 322.325 -0.635 5 10 DBBE CCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 37900537 KHKFHVZYOSSDDH-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)c([N+](=O)[O-])c1 61712736 HVQNVNDHLMPLNG-MRVPVSSYSA-N 302.312 -0.364 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCO)CC2)s1 98117544 XVTUVOUFBAMBCU-UHFFFAOYSA-N 321.380 -0.045 5 10 DBBE CNc1cc(S(=O)(=O)N[C@H](C)C(N)=O)ccc1[N+](=O)[O-] 131949381 KAQGZLDBLZIQCT-ZCFIWIBFSA-N 302.312 -0.211 5 10 DBBE CN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 157449146 SJPGHQLRRXHNBQ-UHFFFAOYSA-N 309.373 -0.218 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 158655518 QRUAEVLHGHJDIV-GOSISDBHSA-N 308.337 -0.043 5 10 DBBE CNS(=O)(=O)CCNC(=O)c1cc(N)ccc1[N+](=O)[O-] 231026904 OIMQCHJJQRDBMM-UHFFFAOYSA-N 302.312 -0.544 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1[C@H]2CC[C@H]1CC(=O)NC2 359033159 ZZBKXLWEFIRGDY-YUMQZZPRSA-N 305.294 -0.054 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnc2n1CCCC2 1267194243 LHJPLTRJKJJVJK-GHMZBOCLSA-N 322.369 -0.172 5 10 DBBE O=C1C[C@@H](NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CN1 1295929968 RULHTDCCRZKSAC-SECBINFHSA-N 316.277 -0.206 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC(=O)CN1CCCCS1(=O)=O 1529747463 WUXCFJMZICPTRK-UHFFFAOYSA-N 317.327 -0.308 5 10 DBBE O=C(NCC1(O)CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])o1 1556582607 XDZMKDQZXBYBFV-UHFFFAOYSA-N 318.307 -0.143 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](CO)[C@@H](O)C2)s1 1559209093 LCMSUYVMWMPCAA-XPUUQOCRSA-N 322.364 -0.151 5 10 DBBE CC(C)NC(=O)[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1570338085 XEZZJWHMPWKRAY-VIFPVBQESA-N 310.310 -0.214 5 10 DBBE Cn1cc(C(C)(C)NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)nn1 1570629526 OHAFPAYIXIFIDS-UHFFFAOYSA-N 320.309 -0.064 5 10 DBBE Cc1c(C(=O)NCC(=O)NCCCNC=O)cccc1[N+](=O)[O-] 1859183127 FCSPQCNRNUOYFT-UHFFFAOYSA-N 322.321 -0.115 5 10 DBBE N[C@H]1COC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2149988271 NCKYEQGXSMPTGF-JGVFFNPUSA-N 305.287 -0.262 5 10 DBBE C[C@@H](CS(N)(=O)=O)Nc1ncc(C(=O)O)cc1[N+](=O)[O-] 2152943109 ZDSGTVOPKNMOBV-YFKPBYRVSA-N 304.284 -0.223 5 10 DBBE O=C1CN(c2ncnc(Cl)c2[N+](=O)[O-])CCN1CCO 2171074521 OEOQRFOGJXLYLV-UHFFFAOYSA-N 301.690 -0.321 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@]12C[C@H](CO1)C2 2194214414 GADHBCKAHWIXEM-WKFQBHICSA-N 302.312 -0.074 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CC[C@](O)(CO)[C@H](O)C1 2234101875 WKTSCTJVCVKIMR-LDWIPMOCSA-N 304.690 -0.667 5 10 DBBE COc1ccc([N+](=O)[O-])c(OC2(CN)CS(=O)(=O)C2)n1 2283039267 XZCACVACKCHBAN-UHFFFAOYSA-N 303.296 -0.497 5 10 DBBE Cc1cc(NN)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](O)C1 94780341 CPPAWFCTIKLITP-MRVPVSSYSA-N 316.339 -0.056 5 10 DBBE CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1)C(N)=O 132350666 XRTUMAXNYAQYNR-UHFFFAOYSA-N 302.312 -0.281 5 10 DBBE NS(=O)(=O)c1cc(N2CCn3nncc3C2)cc([N+](=O)[O-])c1 570529903 ZXQQUDBNPHMHHJ-UHFFFAOYSA-N 324.322 -0.146 5 10 DBBE CCN(CC)CC[C@H](CO)NC(=O)Cn1cnc([N+](=O)[O-])n1 578377149 GRWNLTLCZAADNH-SNVBAGLBSA-N 314.346 -0.605 5 10 DBBE NC(=O)[C@H]1C[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 599145277 QYNGEQDAPOTIHI-KYZUINATSA-N 322.325 -0.103 5 10 DBBE CN(CC(=O)N1C[C@H](O)C[C@H]1C(N)=O)c1ccccc1[N+](=O)[O-] 600241939 OSVGJQANGMGHEI-SKDRFNHKSA-N 322.321 -0.522 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC(CO)(CO)C1 721497250 YJKQCDMMCZIGCR-UHFFFAOYSA-N 302.308 -0.430 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 1116419591 BMWQNSODRQKJIE-UWVGGRQHSA-N 309.326 -0.079 5 10 DBBE COC(=O)[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 1175863082 PGZKXKMCAQHCPY-ZDUSSCGKSA-N 309.278 -0.073 5 10 DBBE Cc1cc(N(C)CCNC(=O)Cn2ncnn2)ncc1[N+](=O)[O-] 1263221849 DBCNFEXSZAEGDX-UHFFFAOYSA-N 320.313 -0.463 5 10 DBBE CCN(CCNCc1cnnn1CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1320733839 BZDUZGCPCLDDPA-VXGBXAGGSA-N 310.358 -0.099 5 10 DBBE O=C(Nc1ccn(CC(=O)N2CCOCC2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] 1529511001 MMXMLCKRTNLPKH-NXEZZACHSA-N 323.309 -0.654 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCS(=O)(=O)CC1 1544050980 DILBQMGDXGAGHA-UHFFFAOYSA-N 316.339 -0.207 5 10 DBBE O=[N+]([O-])c1cnn(CCN2CCN3CCOC[C@]3(CO)C2)c1 1560178249 RSPXBSYRBVSSRW-CYBMUJFWSA-N 311.342 -0.830 5 10 DBBE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnn(C)n1 1733772728 JGOPUPADZNAWDQ-VXGBXAGGSA-N 310.358 -0.239 5 10 DBBE Nc1sc(S(=O)(=O)N2CC[C@H](O)[C@H](O)C2)cc1[N+](=O)[O-] 2188622319 FIDKXPMJBDPHLT-NKWVEPMBSA-N 323.352 -0.645 5 10 DBBE NC[C@@H](O)CN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O 52125873 UBTIDKVMGUDEAV-SSDOTTSWSA-N 301.280 -0.941 5 10 DBBE O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](O)CO 90281325 BLMNYQGCZDPNFW-SSDOTTSWSA-N 310.715 -0.120 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 136252945 FJPDPJNQLVRMNA-ZCFIWIBFSA-N 302.312 -0.281 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 157467809 UTKOALASZPWUAZ-UHFFFAOYSA-N 323.356 -0.644 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CO)(CO)C2)cc1 595343652 HLERSCXWYJBWJA-UHFFFAOYSA-N 316.335 -0.040 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 598027013 IHWKQEHVHFAGLB-VHSXEESVSA-N 315.307 -0.468 5 10 DBBE CN(CCCS(C)(=O)=O)c1ncnc(NN)c1[N+](=O)[O-] 710669850 LEYZXNWNYQWWKL-UHFFFAOYSA-N 304.332 -0.459 5 10 DBBE CN(C)c1noc(COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 801248856 FUKYDMZZIMUBMS-UHFFFAOYSA-N 323.265 -0.051 5 10 DBBE CC(C)(CCC(=O)N[C@@H](CO)CN1CCOCC1)[N+](=O)[O-] 820017116 YIMQCWUZFOTQGR-LLVKDONJSA-N 303.359 -0.369 5 10 DBBE C[S@@](=O)C1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1448249180 NNLLVEIULKXZHB-OAQYLSRUSA-N 313.335 -0.216 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1cncn1 1501027402 LNVPFTGMUWTYHI-GHMZBOCLSA-N 324.341 -0.750 5 10 DBBE Cn1cnc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1533455479 WCRRUJPPVVYVJO-ONKIFHLLSA-N 307.310 -0.513 5 10 DBBE C[C@@H]1CN(c2nc(N3CC(O)C3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 1871315712 RRALVHBQZHEIPY-HTQZYQBOSA-N 324.341 -0.239 5 10 DBBE CN(C(=O)c1cc([N+](=O)[O-])ncc1N)C1CS(=O)(=O)C1 2152240592 SSERPIZEYOXCFA-UHFFFAOYSA-N 300.296 -0.559 5 10 DBBE O=C(O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CNC1 2152330401 JMISDRNHXOVVEJ-UHFFFAOYSA-N 301.280 -0.700 5 10 DBBE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC(O)(CO)C2)c1 2171959317 ISQODBZIOLTJRH-UHFFFAOYSA-N 322.726 -0.024 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC(CO)CO)c(F)c1 2179741700 DOQDUDOLZRZEFR-UHFFFAOYSA-N 308.287 -0.387 5 10 DBBE Cc1nn(C)c(N[C@H]2COC[C@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2207480378 AEPQLNIXAPKAPP-JGVFFNPUSA-N 304.328 -0.139 5 10 DBBE CO[C@H]1[C@@H](NS(=O)(=O)c2cncc([N+](=O)[O-])c2)C[C@H]1O 2286745496 RJNNPINPTBHROE-AEJSXWLSSA-N 303.296 -0.584 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2289482398 CLUNJDUCNNGZCP-UASFKTIASA-N 304.324 -0.701 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 49102083 KEVBDGNASBHSGR-LURJTMIESA-N 317.327 -0.707 5 10 DBBE NNc1sc(S(=O)(=O)NN2CCOCC2)cc1[N+](=O)[O-] 148570319 KOIAKXYYVFPDFD-UHFFFAOYSA-N 323.356 -0.533 5 10 DBBE Nc1ccc([N+](=O)[O-])c(N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c1 263032775 HKBMHJBZKOBPEB-SNVBAGLBSA-N 315.307 -0.135 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC[C@@H]1[C@H]1CCCO1 341871707 CJNMOVMXNSTKLY-NXEZZACHSA-N 311.298 -0.407 5 10 DBBE O=C1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(=O)N1 436015067 UBROEPCYWQXARP-VIFPVBQESA-N 306.278 -0.072 5 10 DBBE CNc1nccc(C(=O)N[C@@H](CO)c2ccnn2C)c1[N+](=O)[O-] 572974148 MZNIXOIKEUZKLG-VIFPVBQESA-N 320.309 0.228 5 10 DBBE C[C@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CN1 599105759 QBGOFADZQPBFQB-YUMQZZPRSA-N 303.344 -0.253 5 10 DBBE C[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncnc(NN)c1[N+](=O)[O-] 712254312 NSXZBSREKNQFOF-WDSKDSINSA-N 302.316 -0.485 5 10 DBBE O=C(c1cc[nH]n1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 940324870 ORRGQPDRGFSPNG-MWLCHTKSSA-N 307.310 -0.251 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CNC(=O)C2)C1 1322320208 MAORADKIKAXQFV-ZDUSSCGKSA-N 305.294 -0.076 5 10 DBBE O=C1NC[C@H](O)CC12CN(c1nc3ccccn3c1[N+](=O)[O-])C2 1472877753 CHRCGFAGHWFYEP-SECBINFHSA-N 317.305 -0.070 5 10 DBBE COCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(F)F 1511850425 HSEAMVMAFOZVAJ-RKDXNWHRSA-N 323.296 -0.102 5 10 DBBE NC(=O)CC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1572694292 RAHPBSHUSLSKBG-GHMZBOCLSA-N 324.337 -0.808 5 10 DBBE CC(=O)NCCNC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 1859179048 WPXGTMGPGJEWCP-VIFPVBQESA-N 322.321 -0.035 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CC[C@](O)(CO)[C@@H](O)C1 2234101878 WKTSCTJVCVKIMR-WKEGUHRASA-N 304.690 -0.667 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)O 42266326 IXDFEOSNOCXTHL-MLUIRONXSA-N 322.270 -0.154 5 10 DBBE CNc1ccc(S(=O)(=O)N(CCO)CCO)c([N+](=O)[O-])c1 50669674 DTMCYYYVDMVDKS-UHFFFAOYSA-N 319.339 -0.388 5 10 DBBE Cc1nc(Cl)nc(N(CC(N)=O)CC(N)=O)c1[N+](=O)[O-] 235816602 PIDCBGWNNRWQFI-UHFFFAOYSA-N 302.678 -0.876 5 10 DBBE CNC(=O)CNS(=O)(=O)c1c(NC)cccc1[N+](=O)[O-] 313652157 JMSDKESHZMXRDM-UHFFFAOYSA-N 302.312 -0.339 5 10 DBBE NS(=O)(=O)CCN1CCN(c2ccncc2[N+](=O)[O-])CC1 361001692 IPBQTHGXUPCRSF-UHFFFAOYSA-N 315.355 -0.600 5 10 DBBE Nc1nccc(C(=O)NC[C@H]2CN3CCCN2CC3)c1[N+](=O)[O-] 597627360 YWAOZBNIKJQKDD-JTQLQIEISA-N 320.353 -0.308 5 10 DBBE CO[C@@](C)(CO)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599337607 YUVSQLNARUECJJ-SECBINFHSA-N 308.316 -0.996 5 10 DBBE Cn1cnnc1[C@@H](CO)NC(=O)COc1cccc([N+](=O)[O-])c1 1148313884 FEAKPAVNPWHPFZ-LLVKDONJSA-N 321.293 -0.048 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NCCN1C[C@@H]2CC[C@H](C1)O2 1158255928 AHKDWSMOJLQIEG-PHIMTYICSA-N 309.326 -0.229 5 10 DBBE NC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C(N)=O 1196092050 FZFJFOFUSQQFPK-IUCAKERBSA-N 310.285 -0.248 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1cccn1 1284611862 KECJPVVHUQLSFX-GHMZBOCLSA-N 309.326 -0.487 5 10 DBBE Cc1ccn(CC(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1294068913 QRWGZUBOFGMNHR-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE O=C(NCC(=O)N1CCOCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 1295757910 GPHHRBXWSXOYIE-ZDUSSCGKSA-N 323.305 -0.397 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(O)nn1 1298297422 BSGYTSSLXDPLOE-UHFFFAOYSA-N 305.250 -0.432 5 10 DBBE Nc1nccc(C(=O)N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] 1558548555 DAGCBTVWBDVYOT-QMMMGPOBSA-N 307.310 -0.225 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ccnnc1 1567564934 INTDZBIQQDTBQA-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCS(=O)(=O)CCO2)n1 1586542316 PGZWYVOFZQSVMQ-UHFFFAOYSA-N 304.284 -0.870 5 10 DBBE NC(=O)CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1CCOCC1 1636867048 HGWVCEZQKXBFPK-UHFFFAOYSA-N 311.298 -0.716 5 10 DBBE CN1CCN(C(=O)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 1640818340 WCCORDVLHPBQME-UHFFFAOYSA-N 322.321 -0.196 5 10 DBBE COc1cc(C(=O)N(C)CCS(N)(=O)=O)ccc1[N+](=O)[O-] 1643969324 PQKYBHZHTVKXAR-UHFFFAOYSA-N 317.323 -0.036 5 10 DBBE C[C@H](O)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 1658965291 JTBZJJRQMZHXGO-MVWJERBFSA-N 300.315 -0.766 5 10 DBBE CN(C(=O)CNC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1668822345 XBLGZYSJYAKZAB-JGLYPNHGSA-N 310.354 -0.466 5 10 DBBE CCON(CCN)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 1922327558 WYUZDLGUFYXHJV-UHFFFAOYSA-N 304.328 -0.041 5 10 DBBE N[C@@H]1CC[S@](=O)(=NC(=O)CCn2cnc([N+](=O)[O-])c2)C1 2154388837 QGFHDWZGYDPBGF-ZPWHCFADSA-N 301.328 -0.093 5 10 DBBE CS(=O)(=O)[C@H]1CCN(c2nc(NN)ncc2[N+](=O)[O-])C1 2179895439 VUIYRJNYMBWAHR-LURJTMIESA-N 302.316 -0.706 5 10 DBBE O=C1NCC[C@@H]1CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 2200822234 RFHCOPRJCJZEAY-SSDOTTSWSA-N 300.296 -0.596 5 10 DBBE O=C1C[C@H](NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)CN1 2232790908 HSLDOYSJIARFJQ-LURJTMIESA-N 303.271 -0.099 5 10 DBBE NC(CO)(CO)CNC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 2286186207 YSKIOOVGKQTCJM-UHFFFAOYSA-N 304.690 -0.945 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC(CO)CO)c(F)cc1F 87752337 JLMSQCRSZWYWOA-UHFFFAOYSA-N 312.250 -0.496 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCS(=O)(=O)C[C@H]1CC(=O)O 126017982 GROZGKPEKYEZMK-SSDOTTSWSA-N 318.311 -0.594 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC[C@H](CO)C2)cc1[N+](=O)[O-] 167833071 UTMNOWFDBBZCPB-QMMMGPOBSA-N 316.339 -0.117 5 10 DBBE CNC(=O)[C@H](C)Oc1c(F)cc([N+](=O)[O-])cc1S(N)(=O)=O 215973320 DWSAPIIPRRQSHZ-YFKPBYRVSA-N 321.286 -0.105 5 10 DBBE CNS(=O)(=O)c1ccc(OC[C@@H](N)CO)c([N+](=O)[O-])c1 312358984 KWXUSCKNVJJVEW-ZETCQYMHSA-N 305.312 -0.799 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(CC(N)=O)CC2)c1 360126793 HGSDVXLUSBOHCA-UHFFFAOYSA-N 322.321 -0.011 5 10 DBBE C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N(C)C 599289671 IFTYRQGHVSQVGX-LURJTMIESA-N 305.316 -0.917 5 10 DBBE CON1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599329107 DUCRSVHHPFQWEY-UHFFFAOYSA-N 319.343 -0.368 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1COCCO1 849371292 LUQZKQQXMFZRGG-QMMMGPOBSA-N 303.296 -0.317 5 10 DBBE CNC(=O)[C@H](O)CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 1161155224 DMEQMUDUXDNVCI-GRYCIOLGSA-N 307.306 -0.079 5 10 DBBE Cn1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1O 1285923735 OFDNOCXNAFOINZ-VXNVDRBHSA-N 323.309 -0.831 5 10 DBBE O=C1CS(=O)(=O)C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)N1 1348467325 LNMUNZNACYRJJJ-VIFPVBQESA-N 313.291 -0.554 5 10 DBBE CNC(=O)CN(CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1OC 1473769578 WJTOWSVMYLLIPR-UHFFFAOYSA-N 324.337 -0.103 5 10 DBBE CS(=O)(=O)C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1526626210 NBAOTMAJXOGJQQ-QMMMGPOBSA-N 317.327 -0.921 5 10 DBBE CSCC[C@H](NC(=O)Cn1c([N+](=O)[O-])cnc1C)C(N)=O 1539331363 KZRPJSVETCDFPX-QMMMGPOBSA-N 315.355 -0.177 5 10 DBBE O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1539568131 WSOXXDVUVFWDNV-IWSPIJDZSA-N 314.323 -0.154 5 10 DBBE CC(C)(C)n1cnc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1575139075 CFGVQEWFGCXFOP-RKDXNWHRSA-N 324.341 -0.456 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC2(CNC(=O)O2)C1 1630413926 DMTPPNOGKSTPNS-UHFFFAOYSA-N 309.282 -0.189 5 10 DBBE COC(=O)C[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CCO1 1634680147 CXWGVMULGFTBHB-SECBINFHSA-N 324.293 -0.024 5 10 DBBE CNC(=O)N[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 1650932266 OYXZPRHHCTZCEF-MRVPVSSYSA-N 310.314 -0.220 5 10 DBBE O=C(CCn1cncn1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1722056427 FVPDHQCGYPWBEW-NXEZZACHSA-N 322.325 -0.902 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCCN2)ccc1O 2146604469 KRLQGBHBENGVEB-UHFFFAOYSA-N 303.296 -0.174 5 10 DBBE CN=c1[nH]c(C)c([N+](=O)[O-])c(=NC[C@H]2CCS2(=O)=O)[nH]1 2150729172 AIYBMRPJJUDWNX-SSDOTTSWSA-N 301.328 -0.822 5 10 DBBE C[C@@](O)(CCO)CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2163683209 ZRJBMGMIZMWQJK-SNVBAGLBSA-N 305.312 -0.599 5 10 DBBE Cc1[nH]c(=N)[nH]c(=N[C@H](C)[C@@H](C)S(C)(=O)=O)c1[N+](=O)[O-] 2170592529 AAWWOHLXELSNGX-IYSWYEEDSA-N 303.344 -0.239 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=N[C@H](C)[C@H](C)S(C)(=O)=O)[nH]1 2170593849 JQYDLAPVQBIRHA-RQJHMYQMSA-N 303.344 -0.496 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2174116947 RSCVPJMBAACUOT-POYBYMJQSA-N 308.287 -0.246 5 10 DBBE N[C@H](CS(=O)(=O)Nc1ccc(F)cc1[N+](=O)[O-])C(=O)O 2286011793 IZCOELNKBIUJKH-ZCFIWIBFSA-N 307.259 -0.113 5 10 DBBE Cc1ncc([N+](=O)[O-])c(N[C@@H]2COC[C@@H]2S(C)(=O)=O)n1 2286608592 BZRVHKRAFBBKHU-APPZFPTMSA-N 302.312 -0.083 5 10 DBBE CN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 36266849 LZVKVUVTXVPAAW-MWLCHTKSSA-N 317.323 -0.746 5 10 DBBE NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 37326326 PWBSFSIJKVTWNF-MRVPVSSYSA-N 315.307 -0.061 5 10 DBBE Cn1nnc(NS(=O)(=O)c2cccc(NN)c2[N+](=O)[O-])n1 126824171 ZFWFGCXVNFQOBD-UHFFFAOYSA-N 314.287 -0.795 5 10 DBBE O=C1OCC[C@]12CCCN2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 249572451 OQYYWDKMYXEKKE-DGCLKSJQSA-N 310.310 -0.066 5 10 DBBE O=C1OCC[C@]12CCCN2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 249572453 OQYYWDKMYXEKKE-WCQYABFASA-N 310.310 -0.066 5 10 DBBE NC[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(F)(F)F 594451275 HSTPZWUSAGFOML-ZETCQYMHSA-N 308.216 -0.238 5 10 DBBE NS(=O)(=O)c1cn(CCn2ccsc2=O)nc1[N+](=O)[O-] 700289181 BPOHQFCOTNEFBH-UHFFFAOYSA-N 319.324 -0.638 5 10 DBBE C[C@@H]1C(=O)N(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C(=O)N1C 1148187950 UEOHQGBEFCMBGP-GMSGAONNSA-N 322.277 -0.058 5 10 DBBE CC(C)(O)CC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1293769056 FFCBSSHDKPCZAX-GHMZBOCLSA-N 313.354 -0.080 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCO[C@@H](CN)C2)n1 1331534606 VRJWBCBXAYPSGI-QMMMGPOBSA-N 319.343 -0.933 5 10 DBBE CC(C)(CCC(=O)NC[C@@]1(O)CCS(=O)(=O)C1)[N+](=O)[O-] 1449712302 XEMUKIUQTHUXAA-NSHDSACASA-N 308.356 -0.512 5 10 DBBE C[C@@H]1[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CCS1(=O)=O 1631741626 HXVQOVILKLLPRW-RNFRBKRXSA-N 302.312 -0.366 5 10 DBBE O=C1NC(=O)C2(CN(C(=O)COc3ccccc3[N+](=O)[O-])C2)N1 1637436080 WUBHYHWKLGKKJX-UHFFFAOYSA-N 320.261 -0.606 5 10 DBBE CN(C(=O)CCn1cccn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1722124984 MYTJCXJGINGYHG-VXGBXAGGSA-N 321.337 -0.392 5 10 DBBE CN(C)CCCC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1746024585 HXLQXXWTZYQJJV-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE O=C(COCC1CC1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1759888141 BITHWUFOBBXIEO-GHMZBOCLSA-N 311.338 -0.157 5 10 DBBE O=[N+]([O-])c1cc(Br)cnc1NCC(O)(CO)CO 1913800109 ALVGIKOHDXFZNT-UHFFFAOYSA-N 322.115 -0.120 5 10 DBBE NNc1cc(S(=O)(=O)N2CC[C@H]2CO)ccc1[N+](=O)[O-] 2148958116 KQIYALPGQDKGTF-ZETCQYMHSA-N 302.312 -0.364 5 10 DBBE CC[C@H](C)NC(=O)Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156816787 MODTXJDRZRESBC-LURJTMIESA-N 305.316 -0.647 5 10 DBBE C[C@@H](N=c1cc([N+](=O)[O-])cc(NN)[nH]1)[C@@H](C)S(C)(=O)=O 2170588274 KKPNMTQXTIXOKV-RNFRBKRXSA-N 303.344 -0.069 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNCC[C@H]2O)cc1 2183271676 OMBIGOWCUZVZOR-WDEREUQCSA-N 301.324 -0.404 5 10 DBBE COC[C@H](CO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 229012024 PDYNFBOKPKCACC-ZETCQYMHSA-N 306.296 -0.414 5 10 DBBE O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cc([N+](=O)[O-])n[nH]1 353645333 GHODBGLBLSLHNM-VIFPVBQESA-N 323.309 -0.172 5 10 DBBE CCNC(=O)[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594745546 VKVCAMBJMXSDOX-ZETCQYMHSA-N 302.312 -0.207 5 10 DBBE COC(=O)CCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599222466 ZREHQBLNMXTYKK-UHFFFAOYSA-N 320.327 -0.050 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCc2cn(C)nn2)c1 600518507 HCFWLRDHAGXMMQ-UHFFFAOYSA-N 307.266 -0.086 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](C2OCCO2)C1 1178060712 ZZEBMPYKAQEMCS-SNVBAGLBSA-N 323.305 -0.022 5 10 DBBE Cc1cncc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 1278863761 PMJRVNMEXDDYND-CHWSQXEVSA-N 320.349 -0.282 5 10 DBBE CC(=O)N1CCC[C@@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 1344008592 XZEJRJSIINZCEC-SNVBAGLBSA-N 311.298 -0.012 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1csnn1 1351467121 TZKKIYMWMMRPGO-VXNVDRBHSA-N 313.339 -0.218 5 10 DBBE Cc1cc(=O)c(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c[nH]1 1491697522 PMWWIXOIROWTKK-MWLCHTKSSA-N 322.321 -0.415 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCS(=O)(=O)CCO2)n1 1540247960 GKWYQUNDHCEVDK-UHFFFAOYSA-N 318.311 -0.387 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCn2cncc2C1 1629136645 GZSRNUKVFKWCIV-UHFFFAOYSA-N 303.278 -0.005 5 10 DBBE C[C@]1(CO)C[C@@H](O)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1645962438 XKTWCUSHAYPRBD-NOZJJQNGSA-N 311.294 -0.899 5 10 DBBE CC(C)[C@@H](C(=O)OCC[N+](C)(C)C)N1CCS(=O)(=O)CC1 1852600566 RKXQPWLWNRYNNQ-ZDUSSCGKSA-N 321.463 -0.009 5 10 DBBE Cc1cc([N+](=O)[O-])nn1[C@](C)(C(=O)O)C1CS(=O)(=O)C1 2146793026 ZIVIYNYXECMHQQ-JTQLQIEISA-N 303.296 -0.056 5 10 DBBE Nc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)cc1[N+](=O)[O-] 2149208236 SSPIINSGLQDWFA-GMSGAONNSA-N 305.287 -0.120 5 10 DBBE CN(CC(CO)CO)S(=O)(=O)c1cccc([N+](=O)[O-])c1 2150415447 NGFQADNDVLSAQG-UHFFFAOYSA-N 304.324 -0.184 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2CNCCSC2)c1 2153604459 FJJHALZRJPTPKP-QMMMGPOBSA-N 318.380 -0.027 5 10 DBBE Cn1c(O)nc(Sc2ncnc(F)c2[N+](=O)[O-])nc1=O 2158218106 QSTBNVPTCPTDKC-UHFFFAOYSA-N 300.231 -0.131 5 10 DBBE O=[N+]([O-])c1c(N[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)nc2sccn12 2165125262 VEZTTXQAQOKEIF-XZBKPIIZSA-N 300.296 -0.429 5 10 DBBE Cc1c([N+](=O)[O-])ccnc1CO[C@@H]1CS(=O)(=O)C[C@@H]1N 2177957724 BKRDVRXHNZNYMD-GZMMTYOYSA-N 301.324 -0.061 5 10 DBBE Cc1[nH]c(=N)nc(N2CC[C@@H](S(C)(=O)=O)C2)c1[N+](=O)[O-] 2179890720 NUGWNXIWYOUNFQ-SSDOTTSWSA-N 301.328 -0.271 5 10 DBBE O=CN1CCN(CN2C(=O)C(=O)c3cc([N+](=O)[O-])ccc32)CC1 20615326 QKEDSDCQHJDTIX-UHFFFAOYSA-N 318.289 -0.144 5 10 DBBE C[C@@H](O)CN(C)S(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 51840054 AFXIAGCYUAVJPZ-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(CO)CO 87752332 FDTVLEDYONDJNN-UHFFFAOYSA-N 306.296 -0.765 5 10 DBBE NNc1cccc(S(=O)(=O)NCCOC(N)=O)c1[N+](=O)[O-] 126830234 FHJGXVURMBFDGK-UHFFFAOYSA-N 319.299 -0.746 5 10 DBBE O=C(NCCCn1ccnn1)NCCn1cc([N+](=O)[O-])cn1 183028342 ZNOFDVCOBHAUKT-UHFFFAOYSA-N 308.302 -0.228 5 10 DBBE Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@](O)(C(N)=O)C1 348211939 RADDFCUADLVIST-CQSZACIVSA-N 322.321 -0.236 5 10 DBBE O=C(O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)COC1 369964473 UAVTZTGRQZHMOO-UHFFFAOYSA-N 302.264 -0.273 5 10 DBBE COc1ccc(NC(=O)C[S@@](=O)CC(N)=O)c([N+](=O)[O-])c1 526839402 SRBWHCBQKJILFR-NRFANRHFSA-N 315.307 -0.224 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@]1(O)CCOC1 594765012 FOAAXXSVLGOWGN-JTQLQIEISA-N 303.296 -0.581 5 10 DBBE CC(C)(C(=O)NCC(=O)N1CCCO1)n1cc([N+](=O)[O-])cn1 600056127 WLLASACVTVUOTD-UHFFFAOYSA-N 311.298 -0.194 5 10 DBBE O=C(NC[C@@H](O)CO)c1cc2c(cc1[N+](=O)[O-])OCCCO2 1179853971 MIXJDEYJQJDHGM-MRVPVSSYSA-N 312.278 -0.161 5 10 DBBE C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1331340151 NTIVMRQHHLTCJD-SFYZADRCSA-N 304.328 -0.280 5 10 DBBE CCN(CCNC(=O)c1ccncn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496912414 CFMQNXKQTQCWKE-MWLCHTKSSA-N 307.310 -0.280 5 10 DBBE O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1C[C@@H](O)[C@@H](CO)C1 1570214639 QXIVUEXWKPXFBB-LDYMZIIASA-N 324.289 -0.209 5 10 DBBE Cn1cc(C[C@@H](CO)NC(=O)c2c([N+](=O)[O-])cnn2C)cn1 1570476064 TVHCENHTIXFAPF-VIFPVBQESA-N 308.298 -0.605 5 10 DBBE CCn1cnnc1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1585554294 KOCMEHLAEFSPRX-UHFFFAOYSA-N 320.309 -0.273 5 10 DBBE O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)c1cc([N+](=O)[O-])c[nH]1 1636389312 BYCIVVLHGIEHML-KYXWUPHJSA-N 318.245 -0.494 5 10 DBBE O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](O)Cn1ccnn1 1638696950 GFUKNKXSQWODJO-NSHDSACASA-N 321.293 -0.258 5 10 DBBE CN(C)C[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 1644123680 LXHAKIZNWWAKKX-CYBMUJFWSA-N 309.326 -0.289 5 10 DBBE CC(=O)CCCC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1758750282 CPIMNMBNGQIFLT-DIACKHNESA-N 323.349 -0.016 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(N2CC(CS(N)(=O)=O)C2)[nH]1 2194424584 DXKIXCZBYCVORI-UHFFFAOYSA-N 301.328 -0.822 5 10 DBBE C[C@H](O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 70302056 HKJOHGBTMKVKCD-YLWLKBPMSA-N 305.268 -0.898 5 10 DBBE COC[C@H](O)CNC[C@H](O)Cn1nc(C)c([N+](=O)[O-])c1C 71272906 JIIDNJYCIQCZNI-WDEREUQCSA-N 302.331 -0.634 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](N)[C@H](C)O 80749079 MSGDUDHDWOLCRC-CBAPKCEASA-N 319.339 -0.410 5 10 DBBE COC(=O)[C@H](CO)NC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 88802707 RKIADGKKWHFDFQ-LURJTMIESA-N 303.658 -0.093 5 10 DBBE CC(CO)(CO)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 126276420 AHCCPTBXAXSGEI-UHFFFAOYSA-N 308.287 -0.245 5 10 DBBE O=C(O)C[C@H](NC(=O)CCn1cnc([N+](=O)[O-])c1)C(=O)O 166456108 KDSSUVDDPONZIE-LURJTMIESA-N 300.227 -0.775 5 10 DBBE CCOC(=O)[C@@H](CCOC)NC(=O)Cn1ccc([N+](=O)[O-])n1 281605052 WCCGKGYAPYCFRC-SECBINFHSA-N 314.298 -0.124 5 10 DBBE C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2O)CCN1CCO 429665925 NVILGWHRRAYSLO-SECBINFHSA-N 310.310 -0.166 5 10 DBBE COc1cccc([N+](=O)[O-])c1N1CCN(CC(N)=O)C(=O)C1 517247358 LLRRWABUNAZAGS-UHFFFAOYSA-N 308.294 -0.263 5 10 DBBE CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593604709 BFEBBDPSYHYAAW-DTWKUNHWSA-N 303.296 -0.318 5 10 DBBE O=C(CNS(=O)(=O)c1ncccc1[N+](=O)[O-])NCC1CC1 594770836 IRDVIARLXDWHMY-UHFFFAOYSA-N 314.323 -0.206 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[C@@H](O)C2)n1 599287377 CSMACSFNQAIZEJ-JGVFFNPUSA-N 304.328 -0.232 5 10 DBBE C[C@@]1(C(N)=O)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1155365253 IDMGFDHHYRRGHO-CYBMUJFWSA-N 308.294 -0.520 5 10 DBBE Cn1nccc1CCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1313445197 QHZRRTAHJDRCDK-CHWSQXEVSA-N 307.354 -0.228 5 10 DBBE CC(=O)N[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1329793708 WEPGCBSAHKGZHZ-QMMMGPOBSA-N 317.327 -0.773 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(N2CC[C@H](O)C2)CC1 1330970725 NOWIFGBKBBLOIY-JTQLQIEISA-N 309.326 -0.011 5 10 DBBE Cn1ccnc1C1(O)CN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)C1 1455147032 AZFAZBOGMBAWRY-UHFFFAOYSA-N 319.277 -0.228 5 10 DBBE Cc1ccc(C(=O)N2CC3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] 1457162898 RZRZAHIRRXWVBM-UHFFFAOYSA-N 304.262 -0.063 5 10 DBBE CN(C)CCCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1532968583 BHCUOUBSULMTKT-VXGBXAGGSA-N 314.386 -0.090 5 10 DBBE CC(C)CO[C@@H](CC(=O)N[C@H]1CONC1=O)C[N+](C)(C)C 1851745102 VMICFHQJDVZNDX-RYUDHWBXSA-O 302.395 -0.330 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1NC[C@H](O)[C@H]1O 2201148846 JLIXTXLGPKIOHT-IVZWLZJFSA-N 301.686 -0.120 5 10 DBBE Cn1nnc(Br)c1CN=c1nc([N+](=O)[O-])n(C)[nH]1 2321759365 RCWWPYVHSYLNFW-UHFFFAOYSA-N 317.107 -0.352 5 10 DBBE CCN1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1=O 358022121 FMKUYGQLZNJFBJ-UHFFFAOYSA-N 314.323 -0.132 5 10 DBBE Cc1cccc(C(=O)N2CCN(CC(N)=O)C(=O)C2)c1[N+](=O)[O-] 458036915 BBRHKNLFKKCOCA-UHFFFAOYSA-N 320.305 -0.327 5 10 DBBE O=C(C[S@](=O)C[C@@H](O)CO)Nc1cccc([N+](=O)[O-])c1 526883487 CJISODXOJZEHQT-WVDJIFEKSA-N 302.308 -0.365 5 10 DBBE COC(=O)[C@H](CF)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 561557999 XLPHCDLUNYEESR-LURJTMIESA-N 307.259 -0.221 5 10 DBBE Cc1nn(C)c(N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] 593486094 KAMHRAMEZRHYMM-UHFFFAOYSA-N 310.358 -0.153 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CNC[C@H]1O 699918738 NCBLZKAPDOISRW-MWLCHTKSSA-N 301.324 -0.653 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCOCC1 773368283 BCPCGOSYVCJJTO-SNVBAGLBSA-N 324.337 -0.400 5 10 DBBE CCN(CCNC(=O)Cn1ccnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296329565 FHKNBGKTZIAPHJ-GHMZBOCLSA-N 309.326 -0.487 5 10 DBBE CCCN(CCNC(=O)c1cnnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1497243856 MEJNMYBZFDFWQA-NXEZZACHSA-N 324.341 -0.551 5 10 DBBE CC(C)N(CCN(C)CC(=O)N(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1507786764 GOSDAUGJDWVQLP-VXGBXAGGSA-N 314.386 -0.091 5 10 DBBE O=C1CC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@H]2N1 1531747943 OSANDAJRPCMKKM-RKDXNWHRSA-N 308.298 -0.687 5 10 DBBE CNS(=O)(=O)c1ccc(N[C@@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 1640251259 YWALJKWUNKXEFE-KOLCDFICSA-N 317.323 -0.326 5 10 DBBE C[C@H](O)[C@@H](O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 1642581888 PDSFVBSKIIYOJR-XVKPBYJWSA-N 312.278 -0.163 5 10 DBBE CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1CO 1644090773 QJTUQMZWKBTKRR-GFCCVEGCSA-N 308.338 -0.198 5 10 DBBE CCn1ccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1687003785 OICSFXYINNKSAK-MWLCHTKSSA-N 309.326 -0.196 5 10 DBBE O=C(CCn1cccn1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1747758260 OGLCXNKYXKOUQN-GHMZBOCLSA-N 321.337 -0.297 5 10 DBBE N[C@H]1CC[S@](=O)(=NS(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2154387941 HZHKMIGWZZMPLO-ZDVLTJLQSA-N 320.352 -0.123 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@@H]2COC[C@H]2S(C)(=O)=O)[nH]1 2239002456 VJTAMMHIUGZCIX-VXNVDRBHSA-N 304.328 -0.543 5 10 DBBE NCC1(Oc2nc3sccn3c2[N+](=O)[O-])CS(=O)(=O)C1 2283034037 BYFMZDPCZLPNNG-UHFFFAOYSA-N 318.336 -0.191 5 10 DBBE C[C@@H](NC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21)C(=O)O 31845528 ZHRJHEHGQMXWHW-SSDOTTSWSA-N 323.261 -0.091 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 45011998 GMTZQZCSMXBEDU-UHFFFAOYSA-N 317.327 -0.705 5 10 DBBE O=CN1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 170358436 VIKSVXHGDYGXAW-UHFFFAOYSA-N 306.278 -0.166 5 10 DBBE CNC(=O)[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCO1 359079547 BXPZBDQXLJWGDD-MRVPVSSYSA-N 306.282 -0.411 5 10 DBBE CCN(Cc1cn(C)nn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 359640693 VWNOPMSIYCQWME-GFCCVEGCSA-N 309.330 -0.197 5 10 DBBE C[C@@](O)(CO)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] 567877344 NJCQMZZZLJGBLY-GWCFXTLKSA-N 300.311 -0.333 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1CS(=O)(=O)C1 701922658 QLHQUGBIUHMQGA-UHFFFAOYSA-N 300.296 -0.654 5 10 DBBE NNc1sc(S(=O)(=O)Nc2nn[nH]n2)cc1[N+](=O)[O-] 709878765 CRTZXLJUCAZGPY-UHFFFAOYSA-N 306.289 -0.744 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)Cc1ccc([N+](=O)[O-])cc1 719422326 PBCGOBOIPAVXNA-UHFFFAOYSA-N 301.324 -0.116 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CNOC1 722501475 PUSRYVITRSSODR-SSDOTTSWSA-N 303.296 -0.215 5 10 DBBE COC(=O)N1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 726552389 JTDMZAJCSMVZCL-QMMMGPOBSA-N 312.286 -0.467 5 10 DBBE COCCN1CC[C@@H](NC(=O)Cn2c([N+](=O)[O-])cnc2C)C1 1147026342 HVDUUZQMGGZWPT-LLVKDONJSA-N 311.342 -0.063 5 10 DBBE CCOC(=O)[C@@H](CO)NC(=O)c1nn(CC)cc1[N+](=O)[O-] 1295198195 KCHRBQJNUYIHDI-SSDOTTSWSA-N 300.271 -0.535 5 10 DBBE CN=[S@](C)(=O)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1301476156 UVBZRKBOOFPHAM-OAQYLSRUSA-N 316.339 -0.400 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CO)Cc1cnc[nH]1 1302759242 OFGLLIFPYQPZHH-JTQLQIEISA-N 308.298 -0.457 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](O)[C@H](CO)C2)nc1 1326779001 RBRXKWIKOWUAMU-WPRPVWTQSA-N 317.323 -0.646 5 10 DBBE CS(C)(=O)=NC(=O)CNC(=O)Cn1ccc([N+](=O)[O-])n1 1451980987 OKWKOAWPZVWGAU-UHFFFAOYSA-N 303.300 -0.838 5 10 DBBE Cc1ccnn1CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1577035903 VZBXZDMSKWDYEH-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE CO[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@](C)(CO)C1 1644128918 JWQHHDDXWABVKD-AGIUHOORSA-N 314.342 -0.376 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1COC[C@H]1CO 2146505668 RHVHWPOKAVBAML-BDAKNGLRSA-N 302.308 -0.120 5 10 DBBE O=C(O)[C@H]1CN(c2cncc([N+](=O)[O-])c2)CCS1(=O)=O 2197722573 UEQBCCUAPXBLTI-SECBINFHSA-N 301.280 -0.322 5 10 DBBE NNc1cc([N+](=O)[O-])cc(=NCCS(=O)(=O)C(F)F)[nH]1 2232502318 CMEPOLYERJDPCX-UHFFFAOYSA-N 311.270 -0.253 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@H]2CC[C@@H]2N)n1 2240647515 GUPWZNYHWMICMK-SFYZADRCSA-N 303.344 -0.515 5 10 DBBE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1nc(Cl)ncc1[N+](=O)[O-] 2358566105 RWXQONSQBJIVLN-BIIVOSGPSA-N 304.690 -0.405 5 10 DBBE O=[N+]([O-])c1ccc(CCNS(=O)(=O)N2CCNCC2)cc1 40676303 JSYFKSWDVXPUFE-UHFFFAOYSA-N 314.367 -0.123 5 10 DBBE O=C(O)[C@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 90262648 ZAVVUCKDRVHVTM-SSDOTTSWSA-N 324.698 -0.028 5 10 DBBE CCNC(=O)CCNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 123008775 INXOBWQXMAKFLP-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 158499736 LNBYAWDNFCKPSS-GOSISDBHSA-N 307.353 -0.166 5 10 DBBE CCn1cc([N+](=O)[O-])c(=O)n(Cc2nnc(NN)s2)c1=O 159690828 FWQDRNQCKOWRCF-UHFFFAOYSA-N 313.299 -0.877 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)NCCO 165411608 VCECRAZTQZLHRA-UHFFFAOYSA-N 320.099 -0.373 5 10 DBBE O=C1NC(=O)N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@H]12 353564659 DGIKCUNGFVGJSZ-SNVBAGLBSA-N 320.261 -0.323 5 10 DBBE O=C(O)CNC(=O)NCCNC(=O)c1cccc([N+](=O)[O-])c1 585854177 SJXMEWKTAGBUJS-UHFFFAOYSA-N 310.266 -0.292 5 10 DBBE COC[C@@H](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)OC 597889049 YBLLAWCVDMWHRD-LLVKDONJSA-N 313.310 -0.076 5 10 DBBE CCOC(=O)[C@@H](COC)OC(=O)Cn1cnc([N+](=O)[O-])n1 766310782 ANASZGFEZAYHHK-SSDOTTSWSA-N 302.243 -0.692 5 10 DBBE CC(C)S(=O)(=O)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] 1117644694 QGCMOKUCJCVZQP-UHFFFAOYSA-N 304.328 -0.119 5 10 DBBE C[C@@H]1C(=O)N(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C(=O)N1C 1167405483 SGZREPPQXHZEOV-SSDOTTSWSA-N 324.297 -0.160 5 10 DBBE CC(C)(C)OC(=O)NCCN(CC[N+](=O)[O-])C[C@@H](O)CO 1195394018 SSFKLKXUTVYZTE-SNVBAGLBSA-N 307.347 -0.557 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1272513444 LOQONTYZMPSMOW-SNVBAGLBSA-N 317.327 -0.261 5 10 DBBE Cc1nn(C)cc1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1285360774 OFDIKEGYYYKFRS-ZYHUDNBSSA-N 323.353 -0.076 5 10 DBBE CN1CCC(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1296134684 ZADACKVBINXSLT-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCNC1=S 1306136144 LEKTXRBGSAWWTA-UHFFFAOYSA-N 310.339 -0.508 5 10 DBBE CCn1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1357809482 SOZCXUVILRGHBJ-ISBNUJHVSA-N 321.337 -0.030 5 10 DBBE Nc1ncc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] 1583194373 GFUPGDLDZCLBKN-VHSXEESVSA-N 307.310 -0.537 5 10 DBBE Cn1ccnc1C1(O)CN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 1588306108 LWXZUIYYIDGRLL-UHFFFAOYSA-N 306.282 -0.595 5 10 DBBE CN1C(=O)CC[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1=O 1627041269 NGPHFTWIWOCOFX-SCSAIBSYSA-N 315.673 -0.152 5 10 DBBE Cc1nn(CCC(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)c(C)c1[N+](=O)[O-] 1635247295 CGXQHSKCIYUXCA-JGPRNRPPSA-N 312.326 -0.201 5 10 DBBE Cn1cc([N+](=O)[O-])c(NC[C@]23COCCN2C(=O)COC3)n1 1640289213 PIOJZUWXBCIZTJ-GFCCVEGCSA-N 311.298 -0.632 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1=COCCO1 1721692763 MMBRDINPFOJEDB-NXEZZACHSA-N 313.310 -0.543 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CONC1=O 2148979069 AEIHIXVVTCDDAA-MRVPVSSYSA-N 301.280 -0.388 5 10 DBBE CN=c1nc(N=[S@]2(=O)CC[C@H](N)C2)c([N+](=O)[O-])c(C)[nH]1 2173937311 ZLDJOYDTARHUHR-JKNYTWMOSA-N 300.344 -0.013 5 10 DBBE NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2181127139 PDORXHISTRCIQN-JGVFFNPUSA-N 302.312 -0.928 5 10 DBBE CNc1nc[nH]c(=NCC[S@@](=O)CCOC)c1[N+](=O)[O-] 2207029124 IFJLFXBVAULLAC-HXUWFJFHSA-N 303.344 -0.345 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc(C)ncc1[N+](=O)[O-] 2286616415 MNLUMLUHEWGKOJ-VXNVDRBHSA-N 302.312 -0.083 5 10 DBBE CNc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] 50649847 SEIFZYTTXOQQEC-UHFFFAOYSA-N 314.323 -0.243 5 10 DBBE NNc1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 157094740 GVPGQUNSDADKHP-ZETCQYMHSA-N 314.323 -0.203 5 10 DBBE CN(c1nc(NN)ncc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 234336434 IQVPLNBQAXQWHX-LURJTMIESA-N 302.316 -0.706 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCN(c2ccccn2)C1 338021096 AAHIIWXJZQSGSQ-SNVBAGLBSA-N 317.309 -0.024 5 10 DBBE COCCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593553708 NEAWSHPCUHJMPX-UHFFFAOYSA-N 305.312 -0.381 5 10 DBBE Cc1nc(N)nc(N2CCS(=O)(=O)[C@@H](C)C2)c1[N+](=O)[O-] 707369891 UJNLLLXETZBCTP-LURJTMIESA-N 301.328 -0.101 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)(N)CC2)n1 1118864058 BLYABFFTJCPMAF-UHFFFAOYSA-N 303.344 -0.170 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CCC(O)CC1 1158274111 QQPHXVYLNKZTAL-UHFFFAOYSA-N 311.342 -0.327 5 10 DBBE CN(CCCNC(=O)Cn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1293953167 IMYKCTKHHJULKH-GHMZBOCLSA-N 309.326 -0.487 5 10 DBBE CNC(=O)[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 1567455033 PXTIIVRAQMKEBF-NWDGAFQWSA-N 323.305 -0.398 5 10 DBBE O=C(NCCNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 1569400027 FDDVEIDKUZFXGM-GHMZBOCLSA-N 310.354 -0.584 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2CCO)n1 1624698571 UOLODEORMOIQOY-JTQLQIEISA-N 311.342 -0.095 5 10 DBBE C[C@H]1CS(=O)(=O)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1626563031 ZKJCXYQLHVFPTE-QMMMGPOBSA-N 316.339 -0.023 5 10 DBBE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1640375190 PWUFKBNJARUSKL-OPRDCNLKSA-N 322.325 -0.949 5 10 DBBE O=C(NCCN1CCNC1=S)[C@@H](O)c1cccc([N+](=O)[O-])c1 1648357652 VIFRISQNMJVCIE-NSHDSACASA-N 324.362 -0.066 5 10 DBBE Cc1ncn(C)c1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759697451 BBWHLKNSXAYWMF-ANDSXOESSA-N 321.337 -0.204 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccncn1 1759888380 LSNGIQJQESRZCE-PSASIEDQSA-N 305.294 -0.480 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@]2(O)CCNC2)c1 2143456568 GTXCWJBXQGXYEC-LLVKDONJSA-N 301.324 -0.403 5 10 DBBE NNc1sc(S(=O)(=O)N2CC=C[C@@H](O)C2)cc1[N+](=O)[O-] 2165135037 RGOKCNZNDYFJGO-ZCFIWIBFSA-N 320.352 -0.137 5 10 DBBE CS(=O)(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)O 2360576248 OMJBTENKRSJICM-ZCFIWIBFSA-N 305.268 -0.850 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302389 WRNLEKHWLHNHCC-ZETCQYMHSA-N 300.296 -0.501 5 10 DBBE CNc1cccc(C(=O)NCCNS(C)(=O)=O)c1[N+](=O)[O-] 156928784 YFKRJUVLZKWLHZ-UHFFFAOYSA-N 316.339 -0.085 5 10 DBBE CN(CC(=O)N[C@H]1CCC(=O)NC1=O)c1ccccc1[N+](=O)[O-] 269570315 NKOCSTHNYHELLG-VIFPVBQESA-N 320.305 -0.048 5 10 DBBE CN(CC(=O)N1CC[C@@](O)(C(N)=O)C1)c1ccccc1[N+](=O)[O-] 286382412 CGPRHXMGIZUWDC-AWEZNQCLSA-N 322.321 -0.520 5 10 DBBE Cn1ccnc(N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)c1=O 354589038 RMILUUPKTKADBM-UHFFFAOYSA-N 317.309 -0.195 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CC(CN2CCOCC2)C1 590557480 BKECRGKHKHOZJQ-UHFFFAOYSA-N 309.326 -0.418 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 596622265 YEZSYFNAJGKHBM-NEPJUHHUSA-N 322.321 -0.156 5 10 DBBE O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC(O)(CO)C1 597704811 FODRAUNMNISHIN-UHFFFAOYSA-N 310.262 -0.455 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@@H](N)C2)n1 599101204 MVFDNXKTPNKNON-SFYZADRCSA-N 303.344 -0.124 5 10 DBBE CN1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1 1137826568 JPYMOPKQFMMEHC-SSDOTTSWSA-N 308.250 -0.602 5 10 DBBE CO[C@@H]1CCOC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1156978273 HNEPDDWHMKKILU-BXKDBHETSA-N 311.294 -0.323 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@](O)(C(F)F)C2)c1 1307781216 WNANREYTNZVOAO-KOLCDFICSA-N 306.269 -0.146 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](O)c1ccnn1C 1456197033 WADZIXFQOWRWOO-JTQLQIEISA-N 308.298 -0.317 5 10 DBBE O=C1CCCN1CCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1686989767 YLGIOQLNWIMQSJ-CHWSQXEVSA-N 324.381 -0.192 5 10 DBBE CN(C(=O)CCc1ccon1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1739462811 CVLGNPXLOGESET-VXGBXAGGSA-N 322.321 -0.058 5 10 DBBE Cc1n[nH]c(C)c1CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758172222 WEGQGRBUSRMHMT-VXGBXAGGSA-N 323.353 -0.143 5 10 DBBE N[C@@H]1CC[C@@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1998383622 GBKOEKBWONDYLV-WVBDSBKLSA-N 306.076 -0.150 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(NC[C@H]2CCS(=O)(=O)N2)[nH]1 2146221720 WEWQLNWDFREMPX-SSDOTTSWSA-N 301.328 -0.443 5 10 DBBE CCn1cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CS(N)(=O)=O 2152951586 DEVKNMHXTHACGQ-SSDOTTSWSA-N 304.328 -0.177 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1COC[C@@H]1O 2154109614 TUAJCJDLXDHNNC-SCZZXKLOSA-N 302.308 -0.120 5 10 DBBE NCC1CN(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)C1 2161187069 LMMNGKOWXYJOFX-UHFFFAOYSA-N 300.340 -0.180 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(CO)CO 2179742947 KYPBBYPLWPSIGA-UHFFFAOYSA-N 304.324 -0.218 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)CN 2182586288 PMKSQXVLFHYLSA-SSDOTTSWSA-N 307.303 -0.360 5 10 DBBE C[C@H](Cn1cncn1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 578810789 XPQHRNVFJPTFNJ-MRVPVSSYSA-N 312.311 -0.052 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CNC[C@H]1O 699918259 GZXMJPRNAKEBKJ-PSASIEDQSA-N 301.324 -0.486 5 10 DBBE CN(C)C[C@@H](CO)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 716777769 HLKWSHGDCYBQTE-VIFPVBQESA-N 303.340 -0.204 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C(N)=O)CC2)n1 1166574255 OKGXWAYDLJKRDO-UHFFFAOYSA-N 309.282 -0.023 5 10 DBBE Nc1ccn(CCN2CCCS2(=O)=O)c(=O)c1[N+](=O)[O-] 1307370686 VXBMTWOCGYVQQX-UHFFFAOYSA-N 302.312 -0.626 5 10 DBBE Cn1cc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)nn1 1349498671 NVYRPAJJJZBOHR-UHFFFAOYSA-N 304.266 -0.022 5 10 DBBE C[C@H]1CN(CCO)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1557000644 BEISAPGKNCDIEW-NSHDSACASA-N 324.337 -0.719 5 10 DBBE COc1ccc(CNC(=O)CN2CCNC(=O)C2)cc1[N+](=O)[O-] 1626323500 XKKLFKSTDPGTRU-UHFFFAOYSA-N 322.321 -0.349 5 10 DBBE CS(=O)(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1635340453 SPWFBLAMCKPXME-UHFFFAOYSA-N 316.339 -0.173 5 10 DBBE Cn1cc(CN2CC[C@@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])n1 1660447951 OCEJHJPYZKSICW-MRVPVSSYSA-N 303.344 -0.561 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNNCC2)cc1F 2152174766 ADQYZCOJKJBNHP-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE C[P@]1(=O)C[C@@H](O)[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 2177810412 VZCLKZYCCVEEKX-PKPDKRHSSA-N 302.227 -0.357 5 10 DBBE NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 2187585179 SVUCBXLEGMKWKJ-ZJUUUORDSA-N 301.324 -0.323 5 10 DBBE CNc1cc(C(=O)NCCS(N)(=O)=O)c([N+](=O)[O-])cc1F 50754318 CJJVNCBPSFOTDV-UHFFFAOYSA-N 320.302 -0.206 5 10 DBBE Cc1cc([N+](=O)[O-])cn(Cc2cc(=O)n(C)c(=O)n2C)c1=O 178226684 SYKNVENFLUXKSB-UHFFFAOYSA-N 306.278 -0.489 5 10 DBBE CC(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 268721613 VYDCVNBGBAOHCN-GWCFXTLKSA-N 311.342 -0.295 5 10 DBBE CNC(=O)[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 298794152 KSQRIMNXRFSYTD-JTQLQIEISA-N 308.294 -0.507 5 10 DBBE NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593525309 PPAOCYDLKRZJBK-MRVPVSSYSA-N 314.323 -0.124 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3COC[C@@H]3C2)n1 599350882 VSSRHDIBNDYEGS-IUCAKERBSA-N 316.339 -0.015 5 10 DBBE NNc1cc([N+](=O)[O-])cc(N2CC[C@@H](S(N)(=O)=O)C2)n1 707414557 JJYRSFIADIZKAI-SSDOTTSWSA-N 302.316 -0.857 5 10 DBBE C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 845917187 ZGNJSRRERCFLLB-QMMMGPOBSA-N 314.323 -0.159 5 10 DBBE O=C(NC[C@@]12COCCN1C(=O)OC2)c1ccc([N+](=O)[O-])cn1 1132714872 ZAIWJUKXLKNDCQ-ZDUSSCGKSA-N 322.277 -0.059 5 10 DBBE CN(C)CCN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)CC1=O 1155038629 ZVSJBQATRRAQPY-QMMMGPOBSA-N 310.314 -0.334 5 10 DBBE COC(COCCNC(=O)Cn1c([N+](=O)[O-])cnc1C)OC 1296539679 YDHIMIVWIQDKTE-UHFFFAOYSA-N 316.314 -0.149 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN(C2CC2)C(=O)C1 1319591617 LUFRTGGGNJRUJN-UHFFFAOYSA-N 320.305 -0.410 5 10 DBBE O=C(NCC1(O)CN(Cc2ccns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1500834656 URMQIMMYAQCWQX-NXEZZACHSA-N 312.351 -0.529 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1584375286 HQWRNOZAWVAQGR-MWLCHTKSSA-N 308.294 -0.337 5 10 DBBE COC(=O)[C@@]1(O)CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 1643516993 ZEUDUTZLUVXTDP-SMDDNHRTSA-N 324.289 -0.235 5 10 DBBE CN(C)CCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1734991341 XRXKPPJOMOIYKO-DDHJBXDOSA-N 312.370 -0.386 5 10 DBBE CN1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)[C@H](O)C1 2146527985 IOUPYYBQCQLXQJ-CAHLUQPWSA-N 322.368 -0.808 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1COC[C@H]1N 2149985200 AXSMXYPTLMOOPS-ZJUUUORDSA-N 301.324 -0.092 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1COC[C@@H]1N 2149985585 DQAIKSHVLXMKMI-VHSXEESVSA-N 301.324 -0.092 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)[C@@H](N)CO1 2165824885 JGFMTRNOOKEGOC-GMSGAONNSA-N 302.312 -0.316 5 10 DBBE CN(CCCN=c1cc(N)c([N+](=O)[O-])c[nH]1)S(C)(=O)=O 2165860979 BPLAIPBRGVQTBQ-UHFFFAOYSA-N 303.344 -0.313 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(N2CCS(=O)(=O)CCN2)[nH]1 2173806245 XRFAMYFVRLFUMU-UHFFFAOYSA-N 301.328 -0.807 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CO)[C@H](C)O 2174117441 WSWPEBWMLFPKHK-DTWKUNHWSA-N 304.324 -0.077 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 2174121924 WIXUHRQKAQJLMW-IMTBSYHQSA-N 305.312 -0.803 5 10 DBBE C[C@@]1(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)COCCO1 2174181151 SBZSQFMAXFMVOS-SECBINFHSA-N 306.300 -0.756 5 10 DBBE O=C1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CN1 2186491517 WRATYTOIANYYJN-SSDOTTSWSA-N 300.296 -0.596 5 10 DBBE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1c1ncc(Cl)cc1[N+](=O)[O-] 2200857971 IVLMKNSEFTXVSD-CSMHCCOUSA-N 303.658 -0.362 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN[C@H]2COC[C@H]2S(C)(=O)=O)n1 2207465135 KXYHPQITYJNKDR-WCBMZHEXSA-N 304.328 -0.770 5 10 DBBE NC(=O)C1(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CCC1 2240618359 QYRSJCJFMRLTKS-UHFFFAOYSA-N 320.352 -0.075 5 10 DBBE Cc1ncc([N+](=O)[O-])c(N[C@@H]2CNC[C@@H]2S(C)(=O)=O)n1 2286625130 XFTMQJWFVXSZFV-APPZFPTMSA-N 301.328 -0.510 5 10 DBBE Cc1nc(NN)nc(OCCCS(C)(=O)=O)c1[N+](=O)[O-] 2295793473 FBCGQASMWXMMEC-UHFFFAOYSA-N 305.316 -0.208 5 10 DBBE Cn1[nH]c(=NCCn2cc(Br)nn2)nc1[N+](=O)[O-] 2321751272 CKIOTZDAIOAKSY-UHFFFAOYSA-N 317.107 -0.389 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]2CS(=O)(=O)[C@H]2C1 2361705161 YVFBUHTVOVUZHO-UWVGGRQHSA-N 300.340 -0.171 5 10 DBBE O=C1CN(S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1 57325182 TXAASPAVIAANLP-UHFFFAOYSA-N 303.271 -0.146 5 10 DBBE COC(=O)CCNC[C@H](O)Cn1nc(C)c([N+](=O)[O-])c1C 69369590 WBATZPCQSUJNHW-JTQLQIEISA-N 300.315 -0.078 5 10 DBBE Cc1cc([N+](=O)[O-])cnc1S(=O)(=O)CCS(N)(=O)=O 70214154 HARGXRNZEIHUFU-UHFFFAOYSA-N 309.325 -0.640 5 10 DBBE COC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 158602152 ZUKWRJCVKZJGKG-ZETCQYMHSA-N 305.268 -0.632 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] 229363662 IYIAIWPKSFZROH-ZCFIWIBFSA-N 300.296 -0.656 5 10 DBBE CO[C@H]1C[C@H](C(=O)O)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 262102768 FOYGVYAFDUYHFG-VHSXEESVSA-N 312.282 -0.118 5 10 DBBE CN(CCS(N)(=O)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 719386266 ZKFIVLAOKNNWCL-UHFFFAOYSA-N 323.352 -0.496 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCC(=O)N=S(C)(C)=O)n1 1142753200 TWXZPTVXAOUDKM-UHFFFAOYSA-N 317.327 -0.205 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](O)[C@H](CO)C1 1162035885 NSBRPAYZZVDONY-QWRGUYRKSA-N 312.326 -0.308 5 10 DBBE O=C(CC1(O)CCC1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1295115148 CXQNULQEGLPMDI-GWOFURMSSA-N 311.338 -0.280 5 10 DBBE Cc1nn(C)c(C(=O)NCCS(=O)(=O)C2CC2)c1[N+](=O)[O-] 1306857216 DMPHGLPEMMJESY-UHFFFAOYSA-N 316.339 -0.056 5 10 DBBE Cc1cn(C)nc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1533492394 JQXYABQEOFQRFJ-ANDSXOESSA-N 321.337 -0.204 5 10 DBBE CCn1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1759699312 OJSUICSDKJRFLD-QKXNICGJSA-N 322.325 -0.635 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=N[C@H]1[C@H]2CS(=O)(=O)C[C@H]21 2118026482 WXAAKOFFFYNKIR-CNYLLVADSA-N 304.715 -0.085 5 10 DBBE Cc1[nH]c(=N)nc(N2CCS(=O)(=O)CCO2)c1[N+](=O)[O-] 2146461048 UKIUAFYCCBFCPF-UHFFFAOYSA-N 303.300 -0.728 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCNC[C@H]2F)cn1 2146551268 YYAMUHCSSMWDKK-BDAKNGLRSA-N 304.303 -0.032 5 10 DBBE C[C@@H]1C(=O)NC(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 97294874 MUCGLKVUEDJIMC-SSDOTTSWSA-N 313.291 -0.370 5 10 DBBE NNc1ncnc(NC[C@H]2CCCS2(=O)=O)c1[N+](=O)[O-] 155532864 VGLIQILYBIGCND-ZCFIWIBFSA-N 302.316 -0.341 5 10 DBBE CN(c1ncnc(NN)c1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 159222549 LDNGREWCXIOEBC-LURJTMIESA-N 302.316 -0.706 5 10 DBBE COc1ccc(C(=O)N2CC[C@@](O)(C(N)=O)C2)cc1[N+](=O)[O-] 319473548 NPVNTURACMRJEH-ZDUSSCGKSA-N 309.278 -0.334 5 10 DBBE CN(C)S(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])cn1 574566367 COEWFCWAYYZOLQ-UHFFFAOYSA-N 302.312 -0.389 5 10 DBBE CC(C)(CCC(=O)N1CCC(NS(N)(=O)=O)CC1)[N+](=O)[O-] 1118892408 KBASNCLNALIKAT-UHFFFAOYSA-N 322.387 -0.394 5 10 DBBE CN(CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1 1299369357 NCYYGUVDFNVIKR-CHWSQXEVSA-N 324.381 -0.195 5 10 DBBE CN(CCNC(=O)Cn1cncn1)Cc1c([N+](=O)[O-])ncn1C 1317470920 XJJJLPVELCNSLS-UHFFFAOYSA-N 322.329 -0.832 5 10 DBBE COCCN1C[C@H](C(=O)Nc2c([N+](=O)[O-])cnn2C)CC1=O 1435982785 JWKAEAAVKNAYDK-MRVPVSSYSA-N 311.298 -0.238 5 10 DBBE Cc1ccnn1CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1501852411 QAUUAZUBHDSNLT-JDEDCZITSA-N 321.337 -0.355 5 10 DBBE Cn1cncc1[C@@H](CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 1557694551 KSGMIZAPCJMUES-SNVBAGLBSA-N 308.298 -0.235 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccn(C)c(=O)c1 1567281374 LDAJUZVNIBCHLW-VXGBXAGGSA-N 308.338 -0.402 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)CN1CCCC1=O 1635998790 XKVBWUVMXPGRHJ-JTQLQIEISA-N 322.321 -0.110 5 10 DBBE CCN(CCNC(=O)c1ncccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721166491 UMWUXFHSTGSKCD-NXEZZACHSA-N 307.310 -0.280 5 10 DBBE C[C@H]1C[C@](C(=O)O)(n2cnc([N+](=O)[O-])n2)CCS1(=O)=O 2151692216 PHIXBPHWVBYBSI-IMTBSYHQSA-N 304.284 -0.437 5 10 DBBE CS(=O)(=O)C1CN(c2nc(C(=O)O)ccc2[N+](=O)[O-])C1 2152284294 IYSRGEARFMETOD-UHFFFAOYSA-N 301.280 -0.079 5 10 DBBE CS(=O)(=O)C1(CN=c2[nH]cnc(N)c2[N+](=O)[O-])CCC1 2166696291 HJPWUESGSJLFLT-UHFFFAOYSA-N 301.328 -0.232 5 10 DBBE C[C@@H](Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1)N1CCCC1 2188612311 LVAKOGJLFBDPDU-QMMMGPOBSA-N 303.344 -0.077 5 10 DBBE O=C(NCC1(O)CS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 2283095939 UMLPCWVLMBOUIX-UHFFFAOYSA-N 300.292 -0.516 5 10 DBBE Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)NCCS(N)(=O)=O 227069056 JKMLNYNBTLCQOP-UHFFFAOYSA-N 322.730 -0.151 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCOCC1 351506230 SFYHQCJFLYFOTD-LLVKDONJSA-N 324.337 -0.279 5 10 DBBE COc1ccc(S(=O)(=O)N[C@H]2CNOC2)cc1[N+](=O)[O-] 722501754 SKCUYEBSTPKLGA-ZETCQYMHSA-N 303.296 -0.215 5 10 DBBE NC(=O)c1ccnc(N2CC(CN3CCOCC3)C2)c1[N+](=O)[O-] 1118537009 WPCQKUQNOWKJGK-UHFFFAOYSA-N 321.337 -0.143 5 10 DBBE Cc1nnc(CCNC(=O)Cn2c([N+](=O)[O-])cnc2C)n1C 1154609057 YWRDDGXVUOPUPQ-UHFFFAOYSA-N 307.314 -0.104 5 10 DBBE CCOC(=O)C(=O)N1CCN(c2c([N+](=O)[O-])cnn2C)CC1 1306973015 ZENARGFNSURHBQ-UHFFFAOYSA-N 311.298 -0.460 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cn(C)nn1 1523874117 WMUTXMYLOALZFP-MWLCHTKSSA-N 324.341 -0.551 5 10 DBBE CCC[C@H](O)[C@@H](CO)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1642391239 ABTBACCDJKTQAR-KOLCDFICSA-N 313.310 -0.605 5 10 DBBE Cc1c(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] 1655057767 USRUPUNRSSCHNZ-QWRGUYRKSA-N 306.322 -0.078 5 10 DBBE COCC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1688049713 ALYRDIUVDNPOSS-LMLFDSFASA-N 311.338 -0.158 5 10 DBBE CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(CC(=O)NCC2CCC2)C1 1723761019 YOWJMQBJXQEIGR-CHWSQXEVSA-N 324.381 -0.290 5 10 DBBE CNC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 1867358718 VWFLSONLWRIZMS-BDAKNGLRSA-N 322.321 -0.036 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NCCOCCCO)c1 1963998627 QIKKKOKDDBVEJC-UHFFFAOYSA-N 305.312 -0.333 5 10 DBBE CC[S@](C)(=O)=NCCN=c1[nH]c(=NC)[nH]cc1[N+](=O)[O-] 2187301398 FASNPECNZNQNOM-FQEVSTJZSA-N 302.360 -0.200 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2289482397 CLUNJDUCNNGZCP-JUWDTYFHSA-N 304.324 -0.701 5 10 DBBE O=C(O)[C@@H](O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 90262976 AYCYILBOUGPVCD-QMMMGPOBSA-N 324.698 -0.028 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C(=O)OC[C@H]2C1 374554761 WCOQPNKCXSQTQI-MRVPVSSYSA-N 307.266 -0.271 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCNc2ccn(C)n2)n1 576706770 YRJIJRCGKDRMCL-UHFFFAOYSA-N 307.314 0.387 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)OCCN2C(=O)CNC2=O)n1 755594851 YNCOPRGKNMAJET-UHFFFAOYSA-N 311.254 -0.480 5 10 DBBE CO[C@H]1CN(C)[C@@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 861342896 DXOXGYQZHWXEOG-BXKDBHETSA-N 313.314 -0.161 5 10 DBBE O=C(c1ncccn1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941012775 MVFZHGAIJHXLGW-GHMZBOCLSA-N 319.321 -0.184 5 10 DBBE NS(=O)(=O)C[C@H]1CCN(c2ccnc(O)c2[N+](=O)[O-])C1 1164270677 LFVCQCPBAVOXOK-ZETCQYMHSA-N 302.312 -0.190 5 10 DBBE NC(=O)[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(N)=O 1460427992 FSNSTAPNMVONDW-VXGBXAGGSA-N 306.322 -0.344 5 10 DBBE CCCNC(=O)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1506884330 QODMNEJNPFVNCO-DDHJBXDOSA-N 312.370 -0.338 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(=O)NCC12COC2 1583395010 FKLQWERGILDLNY-UHFFFAOYSA-N 323.309 -0.783 5 10 DBBE CS(=O)(=O)NC[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 1655527179 ATSNHKSQHSIZSU-JTQLQIEISA-N 317.371 -0.338 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccnc(O)c1 1738487129 XBVARPWXVNDTHI-JLVKAVFRSA-N 320.305 -0.145 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CNC[C@H]1O 36266939 MWPJQTGFEURDET-GHMZBOCLSA-N 315.351 -0.144 5 10 DBBE O=C1CN(C(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CCN1 70813928 AATPXTYTMHBGGX-UHFFFAOYSA-N 322.277 -0.782 5 10 DBBE COc1ccc(S(=O)(=O)NOCC(N)=O)cc1[N+](=O)[O-] 126488481 BVBPJINOZANJBI-UHFFFAOYSA-N 305.268 -0.701 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC1(O)CNC1 312283362 ILLYSIPWELGLRC-UHFFFAOYSA-N 301.324 -0.652 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1COC[C@@H]1O 323141590 YBCAYPPOFASOAC-ONGXEEELSA-N 302.308 -0.226 5 10 DBBE CN(Cc1nnnn1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 341585487 NHZUENHTOSXAKP-LLVKDONJSA-N 322.325 -0.010 5 10 DBBE O=C(Nc1cnn(CCN2CCOCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] 373965728 YZPPYGQSVHVRTA-VXGBXAGGSA-N 309.326 -0.181 5 10 DBBE CNc1nccc(C(=O)N[C@H](CF)C(=O)OC)c1[N+](=O)[O-] 572779907 YNORUVHLNLANID-SSDOTTSWSA-N 300.246 0.272 5 10 DBBE COC[C@@H]1C[C@@H](O)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 593810129 COGYXXTWUWYBAA-WDEREUQCSA-N 311.294 -0.635 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H](O)[C@H]1CCCO1 600239628 UBAXDHIEOQYUMN-GHMZBOCLSA-N 311.294 -0.587 5 10 DBBE COc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 839549855 CZDIOYVIMWRNBJ-NXEZZACHSA-N 307.310 -0.201 5 10 DBBE Cn1ccc(=O)n(CCCN=c2cc[nH]cc2[N+](=O)[O-])c1=O 1163538521 ITJZXRIYUODSOA-UHFFFAOYSA-N 305.294 -0.226 5 10 DBBE CCOCCCN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1325212630 DCWSTUVORGHONI-GHMZBOCLSA-N 301.343 -0.759 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@@]2(C)C1 1471028685 DCZPRPCVKXOPSC-BETUJISGSA-N 321.293 -0.547 5 10 DBBE CS(=O)(=O)CCn1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1530563107 NKKLYJRQRGQMPA-HTQZYQBOSA-N 302.312 -0.469 5 10 DBBE NC(=O)C[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1556881102 HMDOVIAPQTYGMA-SECBINFHSA-N 308.294 -0.520 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCS(=O)(=O)C1 1625184736 HOSBKFHMHJBGOY-SECBINFHSA-N 316.339 -0.349 5 10 DBBE CS(=O)(=O)C1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1638054136 UVWLCIPYXFMVRY-UHFFFAOYSA-N 315.307 -0.988 5 10 DBBE Cn1c(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cccc1=O 1758171562 HKNMZMFOKMYFEU-MWLCHTKSSA-N 322.321 -0.713 5 10 DBBE O=C(O)C[C@H](NC(=O)c1cn2cc([N+](=O)[O-])ccc2n1)C(=O)O 1860400704 QJOXTIALMGTUOY-ZETCQYMHSA-N 322.233 -0.100 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)c1[N+](=O)[O-] 2165119609 FREZHUITRLUNSD-ZILMGAKASA-N 304.690 -0.965 5 10 DBBE O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC2(CNS(=O)(=O)C2)C1 2176116639 BXDASURYMVMHLC-UHFFFAOYSA-N 300.296 -0.702 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(NCCS(=O)(=O)CCO)[nH]1 2360909092 IYGXKWXVTPSXNS-UHFFFAOYSA-N 304.328 -0.728 5 10 DBBE NCc1ccc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 50516340 OMFCFJZESCWPTP-GXSJLCMTSA-N 302.308 -0.410 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])c(N)c1 54414778 BMSOGWFSEWHZKC-UHFFFAOYSA-N 302.312 -0.544 5 10 DBBE O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)NCCO 125161951 YLILRZQQEDLUGN-UHFFFAOYSA-N 320.099 -0.373 5 10 DBBE COC(=O)[C@]1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CCSC1 270652665 MWNVTRYWDZCXSU-NSHDSACASA-N 314.323 -0.044 5 10 DBBE C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H](C)N1CCOCC1 355141544 UPYRHAIMHWRGFJ-NXEZZACHSA-N 312.330 -0.588 5 10 DBBE Cc1cc(C(=O)NCC(=O)N2CC(=O)N(C)C2)ccc1[N+](=O)[O-] 360579371 IWLYGMOVHBSULU-UHFFFAOYSA-N 320.305 -0.109 5 10 DBBE CN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593547420 GMCWCIKTGPIWMV-VIFPVBQESA-N 314.323 -0.159 5 10 DBBE CCN1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O 599277659 QTAUTJMCSJNMTD-UHFFFAOYSA-N 317.327 -0.819 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](O)[C@H]2CCCO2)c1 1118960479 XPTZNGUXARRXEO-IJLUTSLNSA-N 300.315 -0.718 5 10 DBBE O=C(C[C@H]1CCS(=O)(=O)C1)NCCn1cc([N+](=O)[O-])cn1 1126997687 CRAUDBBEIOAGJF-SECBINFHSA-N 316.339 -0.268 5 10 DBBE O=C(CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)NCCO 1149907719 CHVKOSXEMGBOMN-VXGBXAGGSA-N 307.306 -0.077 5 10 DBBE COC(=O)C1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC(CO)C1 1305500815 ATJNKKHEJXQVNZ-UHFFFAOYSA-N 312.282 -0.778 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[S@@](C)=O)n1 1354123353 HDVVOUIZTWBSSZ-GOSISDBHSA-N 310.357 -0.625 5 10 DBBE O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(C[C@H](O)CNC2=O)C1 1455690701 VOQHBFFAOHQXKG-VIFPVBQESA-N 321.289 -0.377 5 10 DBBE CNS(=O)(=O)[C@@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 1472694301 RAJAKJMSHTZILH-MRVPVSSYSA-N 303.344 -0.154 5 10 DBBE CC[S@](=O)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1565746433 NUGUKPMBMLDPNT-FQEVSTJZSA-N 301.324 -0.359 5 10 DBBE COC(=O)C1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 1587463854 AOBMPGFRWOSPNA-UHFFFAOYSA-N 312.282 -0.370 5 10 DBBE Cc1nn(CCC(=O)NCCN2CCNC2=O)c(C)c1[N+](=O)[O-] 1598008937 JGEBZMGNJYFTJB-UHFFFAOYSA-N 324.341 -0.060 5 10 DBBE O=C(CCn1cccn1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705261328 MTKHJJJAVHEKPV-GHMZBOCLSA-N 321.337 -0.297 5 10 DBBE CN(CCNCc1cn(CC2CC2)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1713591261 HUBDODKNPZJKHU-CHWSQXEVSA-N 322.369 -0.099 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)C2COC2)c1 1915689628 MSUFXBNKVUFDHC-UHFFFAOYSA-N 302.308 -0.023 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CNCCOC1 2152194973 LPYOXQGYEDDECI-VIFPVBQESA-N 301.324 -0.139 5 10 DBBE Cc1c(C(=O)NCCNS(N)(=O)=O)cccc1[N+](=O)[O-] 2157536258 DQNOEKGSYIXIIO-UHFFFAOYSA-N 302.312 -0.574 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CS(=O)(=O)C[C@H]1O 2177813040 NFVZUERWPPAZSC-JGVFFNPUSA-N 304.328 -0.311 5 10 DBBE CCc1ncc([N+](=O)[O-])c(OC2(CN)CS(=O)(=O)C2)n1 2286653473 BTSWSYMPIAWWDW-UHFFFAOYSA-N 302.312 -0.548 5 10 DBBE NNc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 51088918 RSDYRZAHLWPBCH-QMMMGPOBSA-N 314.323 -0.203 5 10 DBBE Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@H](C)C(=O)N(C)C)c1=O 155839116 LECXIDKYVCNOQS-SECBINFHSA-N 310.310 -0.342 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CN(C)CCO1 195456877 YLGCFDOHHDTIDO-NSHDSACASA-N 311.342 -0.063 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)C(N)=O 227838408 VRXXXPHBTOTIEQ-MRVPVSSYSA-N 303.296 -0.972 5 10 DBBE COC(=O)[C@@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CCSC1 270664581 OYVQZIQWDPAHLI-LLVKDONJSA-N 314.323 -0.044 5 10 DBBE O=C(O)[C@H]1CSCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 598660823 XGNUWBVLMYBFRE-SSDOTTSWSA-N 315.311 -0.538 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CNC[C@H]1O 699918266 HHHDPCSFEDUBGW-VXNVDRBHSA-N 305.287 -0.655 5 10 DBBE CC(=O)NCC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1488608050 NMHHNYXCAYCETL-VXGBXAGGSA-N 324.337 -0.937 5 10 DBBE CNC(=O)CN(CC(=O)NC)C(=O)c1ccc([N+](=O)[O-])cc1 1594592188 GLENINBPSNDXOT-UHFFFAOYSA-N 308.294 -0.471 5 10 DBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3nn(C)cc3[N+](=O)[O-])C[C@@H]12 1612621154 LHDIKCFRQUWLRL-SFGNSQDASA-N 316.339 -0.424 5 10 DBBE COC(=O)C1(O)CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 1644206593 PEPKZUCQSOWECO-JTQLQIEISA-N 310.262 -0.626 5 10 DBBE NS(=O)(=O)NCCCNC(=O)c1ccccc1[N+](=O)[O-] 2157534048 YWMCALRFXWFNCR-UHFFFAOYSA-N 302.312 -0.492 5 10 DBBE N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 2168119492 PYHFTCVRFVYOMP-PSASIEDQSA-N 301.324 -0.323 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N(CCO)CCO)ccc1F 40751790 IIUKYRFQDORGRF-UHFFFAOYSA-N 308.287 -0.291 5 10 DBBE NC(=O)CCCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50660266 QATBSWUXIZHEKO-UHFFFAOYSA-N 302.312 -0.279 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCO)CCO)c1 50669673 ZVLYHTYLGAJFMV-UHFFFAOYSA-N 305.312 -0.848 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 70302057 HKJOHGBTMKVKCD-SVGQVSJJSA-N 305.268 -0.898 5 10 DBBE C[C@H](O)[C@@H](N)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 80737556 DRKHOUVZXXBNGK-KWQFWETISA-N 303.340 -0.278 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](O)CO)c(F)cc1F 90281321 JLMLLINTJOIWJO-RXMQYKEDSA-N 312.250 -0.496 5 10 DBBE CCn1cc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)cn1 160861213 ZORRXCHZTJMDLV-UHFFFAOYSA-N 300.300 -0.297 5 10 DBBE CNC(=O)COc1cc(C)c(S(N)(=O)=O)cc1[N+](=O)[O-] 216048020 MEJJRTKUXJZLOV-UHFFFAOYSA-N 303.296 -0.325 5 10 DBBE NS(=O)(=O)CCNC(=O)c1cc(Cl)ncc1[N+](=O)[O-] 236293424 ZTGPGFVSMKQLNJ-UHFFFAOYSA-N 308.703 -0.339 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](O)C[C@@H](O)C1 786787495 FFUSSQKFHSZLBA-AOOOYVTPSA-N 316.335 -0.070 5 10 DBBE C[C@H](COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[N+](=O)[O-] 813115529 UQMUTBGQIRWCFZ-GASNTAAPSA-N 312.278 -0.643 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCN1CCCO 1159092300 XEOBPKQKFCNKJT-NSHDSACASA-N 311.342 -0.246 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CC3(C[C@@H](O)CNC3=O)C2)n1 1177698962 NKCAIIKLDLUCPY-SNVBAGLBSA-N 320.305 -0.379 5 10 DBBE CN(CCNC(=O)CCn1cnnn1)c1ncccc1[N+](=O)[O-] 1263680721 NSOKBOKSPPFMSI-UHFFFAOYSA-N 320.313 -0.381 5 10 DBBE C[C@]1(C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])NC(=O)NC1=O 1449354232 XBMNVJLRSQJYFP-WBPNIITGSA-N 310.310 -0.369 5 10 DBBE COC(=O)[C@@H](CO)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 1587987564 LUUVBCAOAMMBQA-MRVPVSSYSA-N 300.271 -0.824 5 10 DBBE NC(=O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1=O 1626200810 WVNSLINRXPPMPO-UHFFFAOYSA-N 306.278 -0.636 5 10 DBBE O=[N+]([O-])c1ccc(N2CCS(=O)(=O)C[C@H]2CCO)nc1 1640435078 QPZVLXSKOGYPNR-SNVBAGLBSA-N 301.324 -0.024 5 10 DBBE CNC(=O)CN1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 1654847576 CDJOWUWAYXGFEZ-UHFFFAOYSA-N 310.358 -0.455 5 10 DBBE COc1nccc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1699254931 FJTJGBHMGDYWJS-JDEDCZITSA-N 321.337 -0.088 5 10 DBBE Cc1nn([C@@H]2CCCS(=O)(=O)C2)c(C(N)=O)c1[N+](=O)[O-] 2069806591 KNOITHGGVXWJAF-SSDOTTSWSA-N 302.312 -0.052 5 10 DBBE NS(=O)(=O)c1ccc(NN2CCNCC2)c([N+](=O)[O-])c1 2145593880 UFEZRHYHIQFKLC-UHFFFAOYSA-N 301.328 -0.526 5 10 DBBE CN1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](O)C1 2146512364 BGIHNTASHKLNAC-WDEREUQCSA-N 301.324 -0.452 5 10 DBBE NNc1sc(S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)cc1[N+](=O)[O-] 2174659014 HROAYICTVZRSED-FBMACHJBSA-N 320.352 -0.135 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1NCc1ccc([N+](=O)[O-])cn1 2207465480 RKYOBDQKSYOKPP-GHMZBOCLSA-N 301.324 -0.109 5 10 DBBE NNc1sc(S(=O)(=O)N2CC[C@H](O)C2)cc1[N+](=O)[O-] 157496950 RBVCBOJJQCDFHU-YFKPBYRVSA-N 308.341 -0.303 5 10 DBBE CN(C)C(=O)NCCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 160932270 JQKCEYAQDKHMNE-SNVBAGLBSA-N 300.319 -0.987 5 10 DBBE NC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 227837098 DFJSQEHFEJARSI-ZETCQYMHSA-N 323.714 -0.627 5 10 DBBE C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593544314 QQAYXTMHBYDQJD-QMMMGPOBSA-N 312.311 -0.052 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)[C@@H](C)O 717400345 CMXZRRUSFJXPAV-PSASIEDQSA-N 304.324 -0.077 5 10 DBBE CNS(=O)(=O)CCCOC(=O)CCn1cc([N+](=O)[O-])cn1 777071165 FKTYKPBGOZKWCE-UHFFFAOYSA-N 320.327 -0.336 5 10 DBBE O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 862788301 HOQSHMRXCAIMIL-OPRDCNLKSA-N 317.309 -0.516 5 10 DBBE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1180243644 HVNJAGDFLSFANB-DOLQZWNJSA-N 301.299 -0.783 5 10 DBBE Cn1cc(CNCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)nn1 1267837503 IOZAYWLGPUPQQI-VXGBXAGGSA-N 322.369 -0.001 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cn(C)nn1 1317582213 GIGMYGJGDVXFQY-UHFFFAOYSA-N 322.329 -0.681 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN2C(=O)NC[C@@H]2C1 1566192288 WGAGZMLXWIHDQB-SECBINFHSA-N 308.298 -0.664 5 10 DBBE COCCN1C(=O)N[C@H]2CN(c3c([N+](=O)[O-])ncn3C)CC[C@H]21 1615494073 VAXSGTJNGVOYHN-VHSXEESVSA-N 324.341 -0.053 5 10 DBBE CN1CCO[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1=O 1628763420 GHAAAFWJZSNJPS-LBPRGKRZSA-N 322.321 -0.020 5 10 DBBE O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCS(=O)(=O)C[C@@H]1CCO 1646012069 VCZCOAQURWTRLT-QMMMGPOBSA-N 317.323 -0.456 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[C@@H](O)CO)cc1 1963619445 SVXHYJYSTOYYJS-LLVKDONJSA-N 304.324 -0.243 5 10 DBBE Nc1ccc(N2CC[C@@H](CS(N)(=O)=O)C2)nc1[N+](=O)[O-] 2144396217 WHBNSSCECKPBBY-SSDOTTSWSA-N 301.328 -0.313 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N=[S@](C)(=O)[C@H]1CCNC1 2186529723 UXWQESAOMADZAA-SVWIBVJCSA-N 301.328 -0.072 5 10 DBBE CS(=O)(=O)[C@@H]1CCC[C@H]1N=c1[nH]c(=N)[nH]cc1[N+](=O)[O-] 2206001504 QCFMWTGTWXDKRW-HTRCEHHLSA-N 301.328 -0.403 5 10 DBBE C[C@H](CO)N(C)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 122572090 QLKBJSAQFJKXPI-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE CCNc1cccc(S(=O)(=O)NCC(N)=O)c1[N+](=O)[O-] 126884393 XGZBVUWUWPORTQ-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(O)CCOCC2)cn1 162663721 IWCJJZYSTVYVIX-UHFFFAOYSA-N 317.323 -0.190 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCO)CC1 170357902 OISOGETZWJOEMA-UHFFFAOYSA-N 322.321 -0.330 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](c2nn[nH]n2)C1 538224441 CLPRZMZTMFWIKL-QMMMGPOBSA-N 306.286 -0.289 5 10 DBBE C[C@@H](Cn1cncn1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 578810790 XPQHRNVFJPTFNJ-QMMMGPOBSA-N 312.311 -0.052 5 10 DBBE COC[C@@H]1C[C@@H](O)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 593060936 KHNUKUTVJVVZMG-MVWJERBFSA-N 300.315 -0.766 5 10 DBBE CCn1cc(S(=O)(=O)N2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])n1 594870236 YIDXBIPDECBDMN-GZMMTYOYSA-N 316.339 -0.043 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@@H](O)CO 698919503 ODRRWNOAAGEOEP-WPRPVWTQSA-N 304.324 -0.077 5 10 DBBE C[C@H](CN(C)S(C)(=O)=O)OC(=O)Cn1cc([N+](=O)[O-])cn1 786607059 APBWXBRZWZYIBG-MRVPVSSYSA-N 320.327 -0.386 5 10 DBBE CC[C@H](CNS(C)(=O)=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 1129129235 OUKMMRLKZNWSGK-MRVPVSSYSA-N 319.343 -0.765 5 10 DBBE O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1170221102 OJZZDKMOVOMUPJ-ZJUUUORDSA-N 320.305 -0.364 5 10 DBBE O=C(NC1(CCO)CN(C(=O)CC2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1334611528 BXCINMPNEYATBU-GHMZBOCLSA-N 311.338 -0.469 5 10 DBBE O=C(NCCN(C(=O)c1ccncn1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1529759101 LRCJELCXCFAGIP-ZYHUDNBSSA-N 319.321 -0.137 5 10 DBBE Cn1cc(C[C@@H](CO)CNC(=O)c2c([N+](=O)[O-])cnn2C)cn1 1627340734 YASNLOKFTKZFBR-SNVBAGLBSA-N 322.325 -0.357 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 1647902330 OLVIPQOWSGDLRR-FXAINCCUSA-N 311.294 -0.853 5 10 DBBE O=Cc1cc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c([N+](=O)[O-])s1 2183626335 HDELWBAZPLFZRW-BDAKNGLRSA-N 300.292 -0.220 5 10 DBBE O=[N+]([O-])c1c(N2CC3(C2)OC[C@@H](O)[C@@H]3O)ccnc1Cl 2183646472 YCHRVXPRENPUBN-APPZFPTMSA-N 301.686 -0.046 5 10 DBBE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])s1 2200851562 MAVPBACYLCDTID-BTZDVCGTSA-N 302.264 -0.713 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@]1(C)CN 599102583 SDYFSLOBGCKSGW-LDYMZIIASA-N 317.371 -0.066 5 10 DBBE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1CN 599103611 XKEAPIKDKAZYMJ-IUCAKERBSA-N 317.371 -0.066 5 10 DBBE Cn1nnnc1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 612796383 SPSRBTSOWRULDH-UHFFFAOYSA-N 312.311 -0.361 5 10 DBBE CS(=O)(=O)NC1CN(c2cc(NN)cc([N+](=O)[O-])c2)C1 703146812 WDYKFQZBDZFLBL-UHFFFAOYSA-N 301.328 -0.382 5 10 DBBE C[C@H]1COCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 859078409 DTEJCDUJURJOCG-MRVPVSSYSA-N 304.328 -0.015 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(CCn2c([N+](=O)[O-])cnc2C)C1 1168317162 JWGZZHSURKZNBG-JTQLQIEISA-N 317.371 -0.277 5 10 DBBE CCN(CCCNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1283703982 MRPUCZOMGDAVEE-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE CC(C)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1317211550 GOODOVVJSMJSTM-HMUNZLOLSA-N 310.354 -0.777 5 10 DBBE O=Cc1ccc(OCC(=O)N2C[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 1638814454 LUZIKSYNDRYBDV-JQWIXIFHSA-N 324.289 -0.402 5 10 DBBE O=C1NC[C@H]2CN(Cc3cccnc3[N+](=O)[O-])CCN2C1=O 1657728050 CTYDQGBJPCSRPO-JTQLQIEISA-N 305.294 -0.868 5 10 DBBE O=C(NC/C=C\CNCCN1CCCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1715819963 WRQBUHMGKDLSFF-JZIZGNRHSA-N 310.354 -0.464 5 10 DBBE CC[C@H](CS(C)(=O)=O)N=c1cc([N+](=O)[O-])cc(NN)[nH]1 2146298877 GFJZFOYFUQLGBZ-SSDOTTSWSA-N 303.344 -0.068 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNCCSC2)cn1 2153604000 CXDYGUSJIIHAHR-QMMMGPOBSA-N 318.380 -0.027 5 10 DBBE C[C@H]1C[C@H](CN=c2nc([N+](=O)[O-])[nH]n2C)CCS1(=O)=O 2161425826 ZNIBUWDCSWRNMB-JGVFFNPUSA-N 303.344 -0.230 5 10 DBBE NNc1ccc(S(=O)(=O)NC[C@@H]2CCO2)cc1[N+](=O)[O-] 2189564366 RIOMXMWSYSVFHS-ZETCQYMHSA-N 302.312 -0.052 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2CC[C@H](NS(C)(=O)=O)C2)n1 2196044598 RYDCDUHMMUOPGB-QMMMGPOBSA-N 303.344 -0.548 5 10 DBBE O=[N+]([O-])c1cnc[nH]c1=NCCS(=O)(=O)N1CCCC1 2235297789 USYAMHMVTOAVBT-UHFFFAOYSA-N 301.328 -0.356 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC(O)(CO)C2)cc1 2284567963 ZGVVUBXUVHCHSX-UHFFFAOYSA-N 302.308 -0.241 5 10 DBBE CN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 36266847 LZLYKYVBEUBATL-NXEZZACHSA-N 319.314 -0.313 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNC[C@@H](O)C2)cc1 222283034 YKRFAIQPYOAQEO-SNVBAGLBSA-N 301.324 -0.450 5 10 DBBE C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@](O)(C(N)=O)C1 276461553 OQUNZRVLZUMLOS-XPTSAGLGSA-N 322.321 -0.156 5 10 DBBE C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(=O)N(C)C1 349702976 MRLLPPUSJBZKLD-SECBINFHSA-N 320.305 -0.029 5 10 DBBE C[C@@H]1OCC[C@H]1N(CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 361585609 QFTBJJXGKDYKMH-CYZMBNFOSA-N 314.342 -0.376 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2CCNC2=O)cc1[N+](=O)[O-] 693960479 RRDYPFPBYBRHKH-MRVPVSSYSA-N 300.296 -0.656 5 10 DBBE COC(=O)CC(C)(C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859013474 KGKKYESRFMBHHW-UHFFFAOYSA-N 320.327 -0.052 5 10 DBBE O=C(Cn1ncnn1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1264570024 DORCEIMRWZWCSG-UHFFFAOYSA-N 317.309 -0.070 5 10 DBBE COCc1nnc2n1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1469861170 FCPRGTACPDIUDQ-UHFFFAOYSA-N 307.270 -0.288 5 10 DBBE CN(CCNC(=O)c1cn(C)nn1)Cc1c([N+](=O)[O-])ncn1C 1480860721 SFMHTQGUZYKTQW-UHFFFAOYSA-N 322.329 -0.681 5 10 DBBE O=C(NC(CO)CO)c1cc2c(cc1[N+](=O)[O-])OCCCO2 1632034640 KKLKKCIGKLKLGO-UHFFFAOYSA-N 312.278 -0.161 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C[C@@H]2C1=O 1642839293 FQJGWBWQVZCYID-OCAPTIKFSA-N 319.277 -0.741 5 10 DBBE CCN(CCNC(=O)c1nc[nH]n1)Cc1c([N+](=O)[O-])ncn1C 1691044872 KFYOJDDWNWMZKG-UHFFFAOYSA-N 322.329 -0.302 5 10 DBBE CCNC(=O)CN(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1724851594 NIDYJKJHYVPVGZ-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1759889557 GSMYTEVQYUMPDL-NZFPMDFQSA-N 309.322 -0.691 5 10 DBBE CCN(C)C(=O)Cn1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C 2156811650 BMSQCFSUZQGUKL-UHFFFAOYSA-N 305.316 -0.775 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CCOC[C@H]2CO)c1 312730504 JCUNTNWQDWJWKI-SECBINFHSA-N 303.296 -0.628 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1COC[C@H]1O 323504237 OZGXLXRTWYZMBN-JGVFFNPUSA-N 306.271 -0.228 5 10 DBBE CNC(=O)[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCO1 359079548 BXPZBDQXLJWGDD-QMMMGPOBSA-N 306.282 -0.411 5 10 DBBE COc1cccc([N+](=O)[O-])c1N1CCN2C(=O)C(=O)NC[C@H]2C1 571683838 QJGPHQVWRYHUMK-VIFPVBQESA-N 320.305 -0.250 5 10 DBBE CO[C@](C)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 594483383 BJTZTRSIDWPBJS-JTQLQIEISA-N 305.312 -0.335 5 10 DBBE Cc1cc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 1272161798 BRYFOMNOHYFPFD-VXGBXAGGSA-N 312.326 -0.441 5 10 DBBE Cc1ncc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 1278864493 WFBBTTQBNDAFQB-GHMZBOCLSA-N 310.310 -0.689 5 10 DBBE CCc1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 1283246489 HXCDNEJHJLCSEU-GHMZBOCLSA-N 323.353 -0.116 5 10 DBBE CCC[C@@H](OC)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331715735 LPLOHLWWUGFKPA-MRVPVSSYSA-N 320.327 -0.052 5 10 DBBE CC[C@H](CNS(C)(=O)=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1533443541 OQRIAEIFYLTPCN-SSDOTTSWSA-N 319.343 -0.614 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 1556987546 NIABVSCIRCRLTC-UHFFFAOYSA-N 303.271 -0.153 5 10 DBBE Cc1nc(CN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)n[nH]1 1567441323 YGMPMOMOUFRNLF-GHMZBOCLSA-N 308.342 -0.141 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCNS(C)(=O)=O)n1 1633300657 XWAUWWHPXFLPMS-UHFFFAOYSA-N 319.343 -0.568 5 10 DBBE O=C(NCC1(O)CN(Cc2ccc(F)cn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1724454081 OKUPAPGHJMFFCD-VXGBXAGGSA-N 324.312 -0.451 5 10 DBBE O=C1NC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 1963622079 AUTUJWSTKKZPPL-MRVPVSSYSA-N 301.280 -0.019 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)cc1[N+](=O)[O-] 2092827816 AABVLLSUILFACZ-NJGYIYPDSA-N 311.316 -0.058 5 10 DBBE N[C@H](CS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)O 2195333480 JGRUQIVAGFSYEI-SNVBAGLBSA-N 302.308 -0.036 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1N=c1[nH]c(Cl)ncc1[N+](=O)[O-] 2207468404 BKIIELVOPHUTST-VDTYLAMSSA-N 322.730 -0.316 5 10 DBBE C[C@H](CO)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 122573932 ZUSZIWGUQPYBDU-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE C[C@@H](NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-])C(N)=O 126688923 XRMLRYLHIDQTIY-RXMQYKEDSA-N 303.300 -0.968 5 10 DBBE Nc1sc(S(=O)(=O)N(CCO)CCO)cc1[N+](=O)[O-] 157570328 MTUNEPDYUMRDFG-UHFFFAOYSA-N 311.341 -0.786 5 10 DBBE COC[C@H](NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O 158591665 IUSWCOTVIKBVQB-ZETCQYMHSA-N 320.279 -0.322 5 10 DBBE Cc1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H](O)C2)ccc1[N+](=O)[O-] 591014562 RJOGHIINNBZXTC-PHIMTYICSA-N 323.305 -0.204 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCn2nncc2C1 594794488 LKRYYZLAHKJENG-UHFFFAOYSA-N 310.295 -0.214 5 10 DBBE CN(C)C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599237910 UMGWEDFSRAEJAJ-VIFPVBQESA-N 317.371 -0.100 5 10 DBBE O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H](O)C[C@@H](O)C1 612085402 GWXDAQLWVHFIJK-GRYCIOLGSA-N 312.322 -0.238 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCOC[C@H]1C 1144613253 SNGCKJBIIQHDNY-SNVBAGLBSA-N 311.342 -0.063 5 10 DBBE CC[C@H]1C(=O)NCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1289172176 MKTLAYUXHUSUAO-NSHDSACASA-N 322.321 -0.116 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[S@](C)=O)n1 1354123354 HDVVOUIZTWBSSZ-SFHVURJKSA-N 310.357 -0.625 5 10 DBBE O=C(NCCN1CCC(O)CC1)c1cnc(O)c([N+](=O)[O-])c1 1468122318 KETFCYQBKDLAPH-UHFFFAOYSA-N 310.310 -0.118 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](CO)CN1CCCCC1 1556565445 ODOCBKMQFGYLGQ-JTQLQIEISA-N 312.330 -0.851 5 10 DBBE CC(C)N(CCCNC(=O)c1nc[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581634785 QRCCKCJEXJLCFL-NXEZZACHSA-N 324.341 -0.173 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC(CO)(CO)C1 1645107170 BRAWAXNOWKCQGF-UHFFFAOYSA-N 314.269 -0.074 5 10 DBBE COc1cccnc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703364397 SMCUUYDGSYFLDK-NXEZZACHSA-N 322.321 -0.009 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ccn(C)n1 1731985096 GKDGRNHHCQDRMZ-UHFFFAOYSA-N 321.341 -0.076 5 10 DBBE Cn1c(C(=O)N2CCO[C@H](C(=O)NC3CC3)C2)cnc1[N+](=O)[O-] 1891588851 YOIKXMWFMIXJDZ-JTQLQIEISA-N 323.309 -0.552 5 10 DBBE C[C@@]1(O)CON(S(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)C1 2093398373 MBILIRNEYVDMHH-QMMMGPOBSA-N 309.325 -0.075 5 10 DBBE CCNC(=O)CS(=O)(=O)CC(=O)c1cc([N+](=O)[O-])c[nH]1 2145870031 JJFNDKBVNVFONR-UHFFFAOYSA-N 303.296 -0.344 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC(CO)C2)c1 2148958420 NEKNJXJHSZJQOK-UHFFFAOYSA-N 302.312 -0.507 5 10 DBBE NS(=O)(=O)NCCNc1ccc(C(=O)O)cc1[N+](=O)[O-] 2157525024 HWYRDNZKHYHKGJ-UHFFFAOYSA-N 304.284 -0.502 5 10 DBBE NS(=O)(=O)NCCNc1ncnc2sc([N+](=O)[O-])cc12 2157535028 QEXSQOGGLKYCNQ-UHFFFAOYSA-N 318.340 -0.196 5 10 DBBE CN=c1[nH]c(=NC[C@@H]2CCS(=O)(=O)C2)[nH]cc1[N+](=O)[O-] 2157681377 BMAOANABVYZNLQ-ZETCQYMHSA-N 301.328 -0.883 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1C[C@H](O)C[C@@H]1O 2164975060 AZTOQAKPUZODNE-XKSSXDPKSA-N 302.308 -0.243 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N=[S@@]1(=O)CC[C@@H](CN)C1 2186535117 NUYGGPQRKIZYLT-SVWIBVJCSA-N 301.328 -0.085 5 10 DBBE NNc1sc(S(=O)(=O)NCCC(N)=O)cc1[N+](=O)[O-] 157467130 JTAKEFLMKTXZPD-UHFFFAOYSA-N 309.329 -0.904 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COCCN2)cn1 236407117 XGXMWDSXVIIJBE-QMMMGPOBSA-N 302.312 -0.744 5 10 DBBE CC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)[S@]1=O 342265684 NWZRRNVOGGGVST-VRNWYBPDSA-N 315.355 -0.056 5 10 DBBE NC(=O)[C@]1(O)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 367004003 QKYIVMFISGEFLC-AWEZNQCLSA-N 322.321 -0.155 5 10 DBBE O=C1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CN1C1CC1 594773000 OKRCHVOUPCTTQD-UHFFFAOYSA-N 312.307 -0.057 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3COC[C@H]3C2)n1 599350883 VSSRHDIBNDYEGS-RKDXNWHRSA-N 316.339 -0.015 5 10 DBBE COC[C@@]1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 599692659 LGLPCMUXQCHFOT-CHWSQXEVSA-N 314.342 -0.111 5 10 DBBE O=C(NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1COCCO1 851327363 KBWHODFFJGEQSK-SSDOTTSWSA-N 317.279 -0.790 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)OCC2CC2)n1 858932152 AQMAQOAOUKJOJE-UHFFFAOYSA-N 318.311 -0.440 5 10 DBBE COC[C@H](C)CC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1261816412 JYGNTFCRYCLJTP-SSDOTTSWSA-N 320.327 -0.194 5 10 DBBE CCOC(=O)[C@](C)(O)CNC(=O)c1nn(C)cc1[N+](=O)[O-] 1320296927 IUSYMLPZOPBLFY-LLVKDONJSA-N 300.271 -0.628 5 10 DBBE O=[N+]([O-])c1cnc(NCC2(O)CCS(=O)(=O)CC2)nc1 1559189060 GKGBUQIUWXJHRR-UHFFFAOYSA-N 302.312 -0.264 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cc(O)nc(S)n1 1583369631 WSYHKWUMFOPXDB-UHFFFAOYSA-N 310.295 -0.108 5 10 DBBE C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@H]1CN(C)CCN1C 1628390743 YOZUUWKCFHXWNV-GXSJLCMTSA-N 322.369 -0.064 5 10 DBBE NS(=O)(=O)C[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 1654523914 NGPBREQCICKJMQ-SNVBAGLBSA-N 317.371 -0.066 5 10 DBBE CCOC(=O)Cn1cc([N+](=O)[O-])c(C(=O)N2CCOCC2)n1 2059991043 ICDFCSWWOGZDSF-UHFFFAOYSA-N 312.282 -0.173 5 10 DBBE C[C@]1(O)CON(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N)C1 2149797993 YCVCBHYUGWXILR-SNVBAGLBSA-N 303.296 -0.136 5 10 DBBE Cc1c([N+](=O)[O-])c(=NCCN2CCCS2(=O)=O)[nH]n1C 2207485514 LJMMQEUWPOXNHK-UHFFFAOYSA-N 303.344 -0.494 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2ccc(NN)c([N+](=O)[O-])c2)C1 49086990 LOWRGMPLFDQBCM-QMMMGPOBSA-N 315.355 -0.137 5 10 DBBE CC(C)(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N)C(N)=O 50676815 UVKAQTKDVDLWFG-UHFFFAOYSA-N 302.312 -0.281 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@](C)(O)CO 90287521 IUBQTYAUEVWZCU-LLVKDONJSA-N 304.324 -0.075 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 147416745 GSQPCIRIZUKHGM-UHFFFAOYSA-N 303.300 -0.876 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCO1 599286593 CPXVDDPFHSWVQU-SECBINFHSA-N 303.296 -0.017 5 10 DBBE C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1N)S(C)(=O)=O 697588005 MANVRAHXEDXOSS-LURJTMIESA-N 302.312 -0.265 5 10 DBBE CC[C@@H](CNS(C)(=O)=O)NC(=O)Cn1ccc([N+](=O)[O-])n1 1129021281 JREQEANUKUVTPB-QMMMGPOBSA-N 319.343 -0.765 5 10 DBBE COC(=O)/C=C\[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1159785223 RKXNMIOYBGYCMK-ZBJFTSOASA-N 309.278 -0.010 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2CC=CC2)n1 1329783150 AWWAYCAWJWCLKA-UHFFFAOYSA-N 301.328 -0.522 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC(=O)N(C)C2=O)n1 1436952367 MMTXROUGSXGYHM-ZETCQYMHSA-N 309.282 -0.312 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCc2cnc3n2CCOC3)n1 1586075320 OSEUGMHTOVRCPF-UHFFFAOYSA-N 306.282 -0.015 5 10 DBBE Nc1sc(S(=O)(=O)Nc2nc(O)n[nH]2)cc1[N+](=O)[O-] 2134814412 LFHBUCWAKSHWIZ-UHFFFAOYSA-N 306.285 -0.137 5 10 DBBE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1c1c(Cl)cncc1[N+](=O)[O-] 2200857149 HVMKRQMKGYGTDT-BWVDBABLSA-N 303.658 -0.362 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1N=c1[nH]n(C)c(C)c1[N+](=O)[O-] 2207487881 JFAIVCUBKRYQHQ-HTQZYQBOSA-N 304.328 -0.717 5 10 DBBE COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1cc([N+](=O)[O-])cs1 2233870361 IAIPFFBWNRVIPQ-MRTMQBJTSA-N 302.308 -0.151 5 10 DBBE CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 36265048 CHCQOYNHZNRNRQ-UWVGGRQHSA-N 319.314 -0.001 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50674113 WTPXXHBEPGDDMU-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE NC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 165880493 LQXYCASJLKCAPT-QMMMGPOBSA-N 316.339 -0.594 5 10 DBBE CCOC(=O)c1ccnc(N2CC(=O)N(C)C(=O)C2)c1[N+](=O)[O-] 274653529 HMXLAMFLEKNOAG-UHFFFAOYSA-N 322.277 -0.029 5 10 DBBE COC(=O)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 299466423 AAWJUOLICNAVHV-VIFPVBQESA-N 309.278 -0.222 5 10 DBBE CCn1cc(S(=O)(=O)NC2COCCOC2)c([N+](=O)[O-])n1 589924084 GFGYICSGGBRBBV-UHFFFAOYSA-N 320.327 -0.495 5 10 DBBE CCO[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1CN 593916733 OLBLMFZIYFFBOB-ZYHUDNBSSA-N 324.337 -0.421 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](Cn3ccnn3)C2)c1 595609639 ZPJQNFGPNZCLDB-AAEUAGOBSA-N 321.341 -0.234 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCOCC1 597616366 KQUHXORPSANMLI-JTQLQIEISA-N 312.326 -0.644 5 10 DBBE C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCNC1 599097743 MGWRIQSFMLVYAR-BDAKNGLRSA-N 317.371 -0.005 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CCN)C(F)F)n1 599109785 YNVILKSDCUFLOL-RXMQYKEDSA-N 313.286 -0.411 5 10 DBBE O=C(COC[C@@H]1CCCO1)OCCn1cnc([N+](=O)[O-])n1 749076303 IDMUGEWRVYVONT-VIFPVBQESA-N 300.271 -0.075 5 10 DBBE CC[S@@](=O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 858968199 LNANRTSMPKAPQV-GOSISDBHSA-N 310.357 -0.625 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 1177347313 ZWUOGJKHQSAGDS-NRUUGDAUSA-N 323.305 -0.323 5 10 DBBE CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCN2CCO[C@H]1C2 1273733984 VUQGXTYSDRFNAZ-UWVGGRQHSA-N 310.314 -0.882 5 10 DBBE COC1(OC)CCOC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 1453773866 ZTCHWHNAUGXUMC-QMMMGPOBSA-N 300.271 -0.174 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2ncnc(O)c2C1 1467245196 NHPYAWPZSAOYLM-UHFFFAOYSA-N 304.266 -0.128 5 10 DBBE Cc1ncn(C)c1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1532968450 AIRQPURBEUAKLP-GHMZBOCLSA-N 323.353 -0.076 5 10 DBBE O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])s1 1627707692 TYUZRAMKDBJQQN-JTQLQIEISA-N 320.348 -0.064 5 10 DBBE O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN2CCOC[C@@]2(CO)C1 1635834213 WPIYSFFOAOOVGP-ZDUSSCGKSA-N 310.310 -0.558 5 10 DBBE NC(=O)C[C@H]1COCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1642973708 YYQKAFOGCJSTBF-AAEUAGOBSA-N 323.305 -0.269 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 1650785273 GKUOEBUYORYNBV-UHFFFAOYSA-N 324.245 -0.317 5 10 DBBE Cn1cc(CN2CCC(NS(N)(=O)=O)CC2)c([N+](=O)[O-])n1 1655284241 RMCXNALZFUJOGF-UHFFFAOYSA-N 318.359 -0.914 5 10 DBBE C[C@H](O)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 1658965290 JTBZJJRQMZHXGO-DLOVCJGASA-N 300.315 -0.766 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ncc[nH]1 1745308129 HVOMRHAFFFYLBQ-NXEZZACHSA-N 309.326 -0.418 5 10 DBBE CCCS(=O)(=O)C[C@@](C)(C(=O)O)n1cnc([N+](=O)[O-])n1 2170489445 DQNJILVXXMGFDN-VIFPVBQESA-N 306.300 -0.189 5 10 DBBE CCS(=O)(=O)C[C@@H](C)N=c1[nH]c(=NC)[nH]cc1[N+](=O)[O-] 2170586082 QZEQLAKQDMDOKI-SSDOTTSWSA-N 303.344 -0.495 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@H]2N)n1 2239006176 IDUFFDLKNOOZHQ-VXNVDRBHSA-N 304.328 -0.125 5 10 DBBE COC(=O)[C@H](CO)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 50070450 XEGJQGZXHAVDAY-QMMMGPOBSA-N 319.295 -0.812 5 10 DBBE Cc1cc([N+](=O)[O-])cc(S(=O)(=O)CCS(N)(=O)=O)c1 166140257 RWRPFXRMUGBLSB-UHFFFAOYSA-N 308.337 -0.035 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1cc(Cl)ncc1[N+](=O)[O-] 226602002 PMACSBXDXXAEMV-UHFFFAOYSA-N 322.730 -0.078 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](O)C(N)=O 227837824 KXLRYQSAAZPUSC-MRVPVSSYSA-N 303.296 -0.972 5 10 DBBE COC(=O)[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 299582027 TWNABPSKLRUOLK-SNVBAGLBSA-N 309.278 -0.080 5 10 DBBE CC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593609081 PKWBEPLLEGYYFK-VIFPVBQESA-N 314.323 -0.111 5 10 DBBE CN1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 598902822 RUDXFPTVNQBLRC-UHFFFAOYSA-N 321.293 -0.026 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)[C@H](C)O 717400347 CMXZRRUSFJXPAV-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE CNS(=O)(=O)CCCOC(=O)Cn1ccc([N+](=O)[O-])n1 777070115 XQZHFCWMSZFAAZ-UHFFFAOYSA-N 306.300 -0.726 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cnnc3C2)nc1 1329645884 CQBCLPWMTWCGAE-UHFFFAOYSA-N 310.295 -0.214 5 10 DBBE C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334955972 AZIFPULXBNKEEM-ZDVLTJLQSA-N 324.384 -0.284 5 10 DBBE COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCOC1 1558831000 PJWRVZGPBPZZLF-YUMQZZPRSA-N 312.282 -0.127 5 10 DBBE C[C@@H]1CN(CCO)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 1629797935 BWXPABXGGKJKNR-SECBINFHSA-N 309.326 -0.289 5 10 DBBE CCc1nc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n[nH]1 1637492684 UZPBEYXATOLVIQ-UHFFFAOYSA-N 306.282 -0.247 5 10 DBBE CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1CO 1644090774 QJTUQMZWKBTKRR-LBPRGKRZSA-N 308.338 -0.198 5 10 DBBE NC[C@@H](Oc1ncc([N+](=O)[O-])cc1Br)C(N)=O 2007459043 HOKUXNATESCPJG-ZCFIWIBFSA-N 305.088 -0.056 5 10 DBBE C[C@@H]1[C@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 2182524123 RPQHUZICNFFZNY-HZGVNTEJSA-N 302.312 -0.366 5 10 DBBE O=C(O)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131143316 DLQDUHGXNGOENV-MRVPVSSYSA-N 308.243 -0.542 5 10 DBBE CN1CCO[C@@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@H]21 284455912 KYRQJGKIZFXYAG-WDEREUQCSA-N 309.326 -0.277 5 10 DBBE CCCN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593596955 FDDMPAVXUCJJAS-UHFFFAOYSA-N 302.312 -0.124 5 10 DBBE NS(=O)(=O)c1ccc(N2C[C@H]3C[C@H]2C(=O)O3)c([N+](=O)[O-])c1 856761730 BLVLGQNTHICRHM-LDWIPMOCSA-N 313.291 -0.254 5 10 DBBE C[C@H]1C(=O)N(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C(=O)N1C 1167405484 SGZREPPQXHZEOV-ZETCQYMHSA-N 324.297 -0.160 5 10 DBBE CC(=O)NC[C@@H]1CN(CCn2c([N+](=O)[O-])cnc2C)CCO1 1191132159 JOASYFHJCRAEMA-GFCCVEGCSA-N 311.342 -0.063 5 10 DBBE O=C(NC/C=C/CNCC(=O)N1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1274015559 JOTIBPCJVQEZII-XCUNLHGCSA-N 324.381 -0.074 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H](c2nn[nH]n2)C1 1632986801 SNQSYPSEJGABRJ-MRVPVSSYSA-N 306.286 -0.371 5 10 DBBE O=C(CN1CCCC1=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1689568173 HRABQOBQQGQWKL-NXEZZACHSA-N 324.337 -0.961 5 10 DBBE Cn1cc(C(=O)N2CC[C@H](n3ccnn3)C2)cc([N+](=O)[O-])c1=O 1891158636 KQMJIXUBONHTQM-JTQLQIEISA-N 318.293 -0.028 5 10 DBBE N=c1ccc([N+](=O)[O-])c(N2CC[C@@H](CS(N)(=O)=O)C2)[nH]1 2144386855 JSPYODYOQVUSHA-SSDOTTSWSA-N 301.328 -0.483 5 10 DBBE N[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2149989081 SIOUOHKCDWUGHS-YUMQZZPRSA-N 303.296 -0.695 5 10 DBBE C[S@](=O)(=Nc1nc(=N)[nH]cc1[N+](=O)[O-])N1CCNCC1 2173925879 NZYONJRYJJOQOG-FQEVSTJZSA-N 301.332 -0.653 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2C[C@]23CCOC3)nc1[N+](=O)[O-] 2198343338 YUJAXDAMDHHTSU-XVKPBYJWSA-N 302.312 -0.135 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2cc(NN)ccc2[N+](=O)[O-])C1 49087010 SIPLJWAICPJEQZ-SECBINFHSA-N 315.355 -0.137 5 10 DBBE Nc1cc(C(=O)NCCS(N)(=O)=O)c([N+](=O)[O-])cc1F 50703203 DNDNYVWVFBPBBK-UHFFFAOYSA-N 306.275 -0.666 5 10 DBBE Cc1nn(C[C@@H](O)CNC[C@@](C)(O)CO)c(C)c1[N+](=O)[O-] 90288490 WXYOFWCDNMKOEA-CMPLNLGQSA-N 302.331 -0.898 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)c2cn(C)nn2)c1=O 593424094 SEMLGCVQFWKLQK-UHFFFAOYSA-N 321.249 -0.446 5 10 DBBE CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599266395 NZIHBOGOFBXCHN-XPUUQOCRSA-N 324.384 -0.281 5 10 DBBE C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599281087 PBENUVFOWYKYJP-ZETCQYMHSA-N 317.327 -0.821 5 10 DBBE CC1(NCC(=O)NC2CC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1274333586 WBOHUJQKJPRSSS-VXGBXAGGSA-N 324.381 -0.099 5 10 DBBE C[C@H](O)[C@H](O)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 1301669685 FHYFZPSZMIIEIS-GZMMTYOYSA-N 312.278 -0.356 5 10 DBBE CCCCNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1661598525 YCUXYNHKBRIGPK-WRWGMCAJSA-N 312.370 -0.195 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCCn1ccnn1 1758929326 POGLJBVACHXFKL-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C(=O)O)cc1[N+](=O)[O-] 1866103660 FGDQQWHPUBIBTL-ZETCQYMHSA-N 313.222 -0.013 5 10 DBBE N[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2149989078 SIOUOHKCDWUGHS-JGVFFNPUSA-N 303.296 -0.695 5 10 DBBE CN=c1[nH]c(N[C@@H]2C[P@@](C)(=O)C[C@H]2O)ncc1[N+](=O)[O-] 2177839162 NEDCFZVXZOJXAE-WULHADROSA-N 301.243 -0.004 5 10 DBBE NNc1cc(N[C@@H]2CS(=O)(=O)C[C@H]2O)cc([N+](=O)[O-])c1 2177963567 SWFAVYHQDXKYFK-NXEZZACHSA-N 302.312 -0.550 5 10 DBBE O=C1CNCCN1CCOc1ncnc(Cl)c1[N+](=O)[O-] 2184613269 VFYCBWUYQYPZGP-UHFFFAOYSA-N 301.690 -0.151 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1N=c1[nH]n(C)c(C)c1[N+](=O)[O-] 2207487883 JFAIVCUBKRYQHQ-SFYZADRCSA-N 304.328 -0.717 5 10 DBBE NS(=O)(=O)CCCNC(=O)Cc1ccccc1[N+](=O)[O-] 40382944 LEMZFLWPHVIDGQ-UHFFFAOYSA-N 301.324 -0.068 5 10 DBBE Cc1nn(C[C@@H](O)CNCCOC(N)=O)c(C)c1[N+](=O)[O-] 135203590 YVOGKSJIFRPRNU-VIFPVBQESA-N 301.303 -0.546 5 10 DBBE O=C(NC(CO)CO)c1cc([N+](=O)[O-])ncc1Br 302337262 LOFUOHKIXBXVHA-UHFFFAOYSA-N 320.099 -0.165 5 10 DBBE COc1cccc(N2CCN(CC(N)=O)C(=O)C2)c1[N+](=O)[O-] 413424953 RCHYMLHTYUIXRT-UHFFFAOYSA-N 308.294 -0.263 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(c2nccc(N)c2[N+](=O)[O-])C1 703184242 PFGCORFHSQHVAK-ZETCQYMHSA-N 301.328 -0.300 5 10 DBBE COCCCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1261816739 UDOFLWAUNAPORZ-UHFFFAOYSA-N 306.300 -0.440 5 10 DBBE CCN1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 1468283670 RZSOVPQSHJVNQT-SECBINFHSA-N 308.294 -0.507 5 10 DBBE CCn1ccc(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1496012274 IJAIBJMEYIGKDS-VXGBXAGGSA-N 323.353 -0.315 5 10 DBBE O=[N+]([O-])c1ccn(CCN2CCC(O)(COCCO)CC2)n1 1648366114 DUBBGQRLZJNJID-UHFFFAOYSA-N 314.342 -0.373 5 10 DBBE CN(CCCNC(=O)Cc1ncc[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703643913 ZBTDYIYIGXXQDC-NXEZZACHSA-N 309.326 -0.418 5 10 DBBE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CC([N+](=O)[O-])C1 1900196349 CDOUAXWWOYHVQH-MRVPVSSYSA-N 303.315 -0.393 5 10 DBBE O=C(NCC(O)(CO)CO)c1cccc(Cl)c1[N+](=O)[O-] 1913800328 GDRRZMXQWNZARW-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE CN1[C@H](Cn2cc([N+](=O)[O-])c(C(=O)O)n2)CCS1(=O)=O 2144912550 MBWWAGCKUIZEKN-LURJTMIESA-N 304.284 -0.477 5 10 DBBE CN(CCS(=O)(=O)N(C)C)c1cc([N+](=O)[O-])cc(=N)[nH]1 2151038551 IKEIGVYHUPTFEV-UHFFFAOYSA-N 303.344 -0.270 5 10 DBBE CN1C(C)(C)[C@@H](N=c2[nH]n(C)cc2[N+](=O)[O-])CS1(=O)=O 2151143875 IPHDCPLANBTMHY-QMMMGPOBSA-N 303.344 -0.416 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2CNCCOC2)c1 2152199171 YMUMHSIHBXWKOZ-QMMMGPOBSA-N 302.312 -0.744 5 10 DBBE O=C1C[C@H](CNS(=O)(=O)c2cncc([N+](=O)[O-])c2)CN1 2186491340 UDODAGSGONDNKQ-ZETCQYMHSA-N 300.296 -0.596 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC2(CO)CC(O)C2)c1 2193971893 WXTPWYGBARTLGC-UHFFFAOYSA-N 302.308 -0.241 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1NC[C@H](O)[C@H]1O 2201148538 HNGMHDGWBUCHBG-IVZWLZJFSA-N 301.686 -0.120 5 10 DBBE N=c1[nH]cc([N+](=O)[O-])c(=NCCCS(=O)(=O)C(F)F)[nH]1 2237639914 DHEMYDMKIMPUAK-UHFFFAOYSA-N 311.270 -0.341 5 10 DBBE N[C@H](CS(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)O 2286022936 VMKCRHXAFXNSRS-MRVPVSSYSA-N 307.259 -0.113 5 10 DBBE CNCc1ccc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@@H]2O)c1 50516756 BASMOEYZOACADK-JQWIXIFHSA-N 316.335 -0.149 5 10 DBBE NNc1cc(S(=O)(=O)N2CC[C@H](CO)C2)ccc1[N+](=O)[O-] 167834007 WLSQKPTUMWVMKE-QMMMGPOBSA-N 316.339 -0.117 5 10 DBBE COCCNC[C@@H](O)Cn1nc([N+](=O)[O-])nc1Br 231801644 AOSXOWSCIANBCT-ZCFIWIBFSA-N 324.135 -0.454 5 10 DBBE C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CN(C)C 599311772 LUJXLHHFWWJEGJ-MRVPVSSYSA-N 305.360 -0.196 5 10 DBBE Cn1nnnc1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 611314281 KBZVJQBBTBFVQJ-UHFFFAOYSA-N 312.311 -0.361 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)[C@H](O)CO 704947948 RHWNGHSLWMGMFO-LHLIQPBNSA-N 306.296 -0.680 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(CN)COC1 705642997 SZLRTXWZXWQSMV-UHFFFAOYSA-N 301.324 -0.091 5 10 DBBE O=C(NN1CCS(=O)(=O)CC1)c1cc(O)ccc1[N+](=O)[O-] 862732948 QULWNAGLDOQRCJ-UHFFFAOYSA-N 315.307 -0.324 5 10 DBBE O=[N+]([O-])c1ncccc1CN1CCN2[C@H](CNS2(=O)=O)C1 1473822407 WEZYPRDKUDIYIV-SNVBAGLBSA-N 313.339 -0.676 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO 1558702413 RHYZLSWQTPSBGM-MNOVXSKESA-N 323.353 -0.001 5 10 DBBE Cc1n[nH]cc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1585096339 WGJAJJHUGBETQU-PSASIEDQSA-N 307.310 -0.238 5 10 DBBE O=C1CN(C2CN(C(=O)c3ccccc3[N+](=O)[O-])C2)CCN1 1889939642 LCPUDHZMUSLKKP-UHFFFAOYSA-N 304.306 -0.149 5 10 DBBE C[C@H](CS(=O)(=O)N(C)C)N=c1[nH]c(F)ncc1[N+](=O)[O-] 2151145869 VCYRPJUHLSQSAJ-ZCFIWIBFSA-N 307.307 -0.362 5 10 DBBE CO[C@H]1C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 2188221325 PCBZVTHYBACTRL-CBAPKCEASA-N 302.312 -0.054 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC1(CO)COC1 2189264007 JQRFWKWNAKITMD-UHFFFAOYSA-N 306.271 -0.227 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NC[C@]1(C)CCCS(=O)(=O)C1 2194296756 IAGPKHOCEKQXMJ-JTQLQIEISA-N 303.344 -0.228 5 10 DBBE NCC(CO)(CO)Nc1ncc(Br)cc1[N+](=O)[O-] 2254607077 HKFLJILTYVFOQT-UHFFFAOYSA-N 321.131 -0.154 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)NC1CC1 50657921 PLMXHBRKQPCGDA-UHFFFAOYSA-N 314.323 -0.266 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 50674461 NQOPXXAQRPEEEV-LURJTMIESA-N 302.312 -0.410 5 10 DBBE CNc1sc(S(=O)(=O)NCc2nnn[nH]2)cc1[N+](=O)[O-] 125504213 ZPOMEWNSTOEKGZ-UHFFFAOYSA-N 319.328 -0.310 5 10 DBBE CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnn(C)n1 127730200 SUSRKOFNDVVOLZ-UHFFFAOYSA-N 313.299 -0.039 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCN1CC2 188489340 SOPYFYGBTMFMBP-LLVKDONJSA-N 305.338 -0.093 5 10 DBBE O=C1NC(=O)[C@]2(CCCN(CCn3cc([N+](=O)[O-])cn3)C2)N1 192642103 QXDIBUGLXGCUAI-GFCCVEGCSA-N 308.298 -0.535 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)c1cc(N)ccc1[N+](=O)[O-] 719725229 ZAMKNBDPLGLRBG-UHFFFAOYSA-N 302.312 -0.463 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OCCOC[C@H]1CCCO1 741316505 CAVZWMAFUYWREM-SECBINFHSA-N 300.271 -0.075 5 10 DBBE CO[C@@H](C)CS(=O)(=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 764178335 BAAPVGDVUMQTIF-ZETCQYMHSA-N 306.300 -0.728 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 1157910716 KNNHUWPZEWZNDI-UHFFFAOYSA-N 314.323 -0.169 5 10 DBBE COC1(OC)CCOC[C@@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] 1301157987 XKSXRAAIKWJCOA-VIFPVBQESA-N 314.298 -0.164 5 10 DBBE CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC(O)(C(=O)OC)C1 1471416768 QKFJFPVLTDRTFL-UHFFFAOYSA-N 309.278 -0.004 5 10 DBBE Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1C 1535255477 XTBDLBUDAHJXJI-MWLCHTKSSA-N 321.337 -0.228 5 10 DBBE Cn1cc([C@H]2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])CCN2)cn1 1557832741 IHDLODALURSVBX-SNVBAGLBSA-N 305.298 -0.162 5 10 DBBE Cc1nncn1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1629641305 WMAKLJVDJGXSOF-UHFFFAOYSA-N 306.282 -0.527 5 10 DBBE C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCS1(=O)=O 1635711136 BTHKLAAHWXGBKU-SSDOTTSWSA-N 314.323 -0.169 5 10 DBBE CN(C)CCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689078688 AKHRDDCIGOXFDP-GHMZBOCLSA-N 300.359 -0.480 5 10 DBBE NNc1c(CN2C(=O)CCS2(=O)=O)cccc1[N+](=O)[O-] 2145902518 HKWQDTRPFIUXRF-UHFFFAOYSA-N 300.296 -0.058 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)C[C@]1(O)CNC[C@@H]1O 2157172542 RNDHJKZGUHFSAZ-WDEREUQCSA-N 302.308 -0.936 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2174116741 PRLPKUNDMCVAPY-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](O)CO)cc1F 2182234959 ILKDRMQWAAZAHR-SSDOTTSWSA-N 308.287 -0.245 5 10 DBBE CS(=O)(=O)CC[C@@H](N)C(=O)Nc1ncccc1[N+](=O)[O-] 2202433207 DKQJFEPGOVKQTO-SSDOTTSWSA-N 302.312 -0.310 5 10 DBBE CS(=O)(=O)C[C@H](N)C(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2360621846 FMEYSYWSNSLFHR-ZETCQYMHSA-N 303.296 -0.389 5 10 DBBE CCc1nn(C)c(NC[C@@H](O)CN2CCOCC2)c1[N+](=O)[O-] 94132246 WBIAUTHIVSESRN-SNVBAGLBSA-N 313.358 -0.004 5 10 DBBE O=[N+]([O-])c1cnc2ccc(=NCCN=c3cncc[nH]3)[nH]n12 347902362 OVEAIIRBESRERR-UHFFFAOYSA-N 300.282 -0.205 5 10 DBBE C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594769884 BCHJEJXICAZDDB-MRVPVSSYSA-N 314.323 -0.159 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCNC2)n1 599097466 IUOVIEFYCOMTTF-MRVPVSSYSA-N 303.344 -0.394 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1c(F)cccc1[N+](=O)[O-])C(=O)O 691716393 OMCUVQRQIGEERL-LURJTMIESA-N 307.259 -0.113 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)OCC(F)(F)F)c1=O 788494325 XLEAIISEKXDRCN-UHFFFAOYSA-N 323.183 -0.039 5 10 DBBE CNC(=O)[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)C 1320966371 ICCVZIPGVQECFD-LBPRGKRZSA-N 310.310 -0.357 5 10 DBBE CN1CCC(CCO)(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1447225152 VQUNQOJHPCNGTP-UHFFFAOYSA-N 311.342 -0.246 5 10 DBBE Nc1ncc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 1465612117 CCWKCEFXMFSGEK-MRVPVSSYSA-N 306.282 -0.578 5 10 DBBE C[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)CN1CCO 1559215441 AXWWMGNREUJNAM-UWVGGRQHSA-N 323.353 -0.020 5 10 DBBE O=C1N[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC[C@H]2CO1 1639841180 ZZXQYSHPEWOGGQ-DTWKUNHWSA-N 309.282 -0.252 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCO[C@@H](Cn2ccnn2)C1 1640909385 UPDZERRUKNPDBB-MRVPVSSYSA-N 307.270 -0.549 5 10 DBBE CN(CCCNC(=O)CCn1cncn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720444811 KPEYKKPHSOTQTB-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE O=[N+]([O-])c1nc(Br)n(CC2=NO[C@H]3CNC[C@H]23)n1 2068452952 NGWOPVCJZBEWLQ-XINAWCOVSA-N 317.103 -0.077 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NC[C@@H]2COC[C@H]2O)c1 2154107781 CDVHJGSIYGEOAS-GMSGAONNSA-N 303.296 -0.725 5 10 DBBE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1cc(CO)sc1[N+](=O)[O-] 2233866204 OULYZRGGSWEOBS-UTLUCORTSA-N 304.324 -0.295 5 10 DBBE CO[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C[C@H]1O 2286721479 ZXSSXFMRZXXBKR-XKSSXDPKSA-N 303.296 -0.584 5 10 DBBE CNC(=O)[C@@H](C)Oc1c(F)cc([N+](=O)[O-])cc1S(N)(=O)=O 215973372 DWSAPIIPRRQSHZ-RXMQYKEDSA-N 321.286 -0.105 5 10 DBBE CN1C(=O)C(=O)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1=O 340877282 AOISBOTZFFFIMQ-UHFFFAOYSA-N 320.261 -0.022 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC(=O)N1C 548761806 HPRQAVNXVNDUNR-MRVPVSSYSA-N 314.323 -0.159 5 10 DBBE C[C@](O)(CO)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 592431085 ZJEXLCPYACQFIB-DGCLKSJQSA-N 300.311 -0.333 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)O 691718813 YEJJSCPYWLNJQD-ZETCQYMHSA-N 307.259 -0.113 5 10 DBBE C[C@](O)(CO)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722261884 HRDBVQKPYGSTKN-SNVBAGLBSA-N 305.312 -0.801 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(C)OCCO2)n1 859090475 LXVGHPMMJIHSLU-UHFFFAOYSA-N 306.300 -0.630 5 10 DBBE C[C@H]1CCS(=O)(=O)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1116789224 YPUCHXAWICVGOU-QMMMGPOBSA-N 316.339 -0.023 5 10 DBBE CN1CCC[C@@](O)(CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1137377619 OHCGXZLNIYESQP-CYBMUJFWSA-N 311.342 -0.246 5 10 DBBE CCN(C)CCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1284176785 VQSUJBPEKWVGGY-DIACKHNESA-N 324.381 -0.434 5 10 DBBE C[C@@H](CCS(C)(=O)=O)OC(=O)Cn1cnc([N+](=O)[O-])n1 1357640234 YABDVTQJGUKWAH-ZETCQYMHSA-N 306.300 -0.447 5 10 DBBE Cc1cccc([N+](=O)[O-])c1C(=O)N1CC2(C1)NC(=O)NC2=O 1558793778 MFRDVQIAZIFGLI-UHFFFAOYSA-N 304.262 -0.063 5 10 DBBE CC(C)(CCC(=O)N1CC[C@H](NS(C)(=O)=O)C1)[N+](=O)[O-] 1585859064 XELRZWBZDYOIMA-VIFPVBQESA-N 307.372 -0.028 5 10 DBBE Nc1ccc(C(=O)N2CCS(=O)(=O)CCO2)cc1[N+](=O)[O-] 1607731828 ADNXLBSWWOEQDT-UHFFFAOYSA-N 315.307 -0.021 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](CS(N)(=O)=O)C1 1620635743 XURJFOUCPGCVKH-JTQLQIEISA-N 317.371 -0.290 5 10 DBBE CC(C)(NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1cnn[nH]1 1629670660 GYMJSUXZSTUCGE-UHFFFAOYSA-N 306.282 -0.074 5 10 DBBE CCc1[nH]nc(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c1[N+](=O)[O-] 1636014902 SDDCHOWAINORQY-OLQVQODUSA-N 307.266 -0.775 5 10 DBBE Cn1nnnc1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1652365927 QRXHWBHWGCADOW-UHFFFAOYSA-N 302.250 -0.043 5 10 DBBE CN1C(=O)[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C[C@@H]2C1=O 1655773238 VNYMKRGOEUQOBF-AOOOYVTPSA-N 318.289 -0.255 5 10 DBBE CN(C)C(=O)CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1698707434 LKYIWEMCHFABAR-DDHJBXDOSA-N 312.370 -0.243 5 10 DBBE NNc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]1CO 2148959046 UUNFQUKVSHHOQR-SSDOTTSWSA-N 302.312 -0.364 5 10 DBBE CN(C(=O)Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1)C1CC1 2156816340 LLIIWILDVASWSV-UHFFFAOYSA-N 303.300 -0.941 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(NCCCNS(N)(=O)=O)[nH]1 2157549414 YWZSDAXLMBYJSU-UHFFFAOYSA-N 304.332 -0.952 5 10 DBBE O=C(N[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O)c1csc([N+](=O)[O-])c1 2177861695 WSYUILGRSKVDDI-MCOJJJQWSA-N 302.308 -0.511 5 10 DBBE CN=c1[nH]c(O[C@@H]2C[P@](C)(=O)C[C@@H]2N)ncc1[N+](=O)[O-] 2184672692 IOWWFARMSHNQBG-SXOYWSNGSA-N 301.243 -0.070 5 10 DBBE C[C@H](O)[C@@H](N)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 80738289 DSMIJQFZONTYCT-WPRPVWTQSA-N 303.340 -0.278 5 10 DBBE CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 358827990 RTUGUQHSBHOVHX-UWVGGRQHSA-N 324.341 -0.051 5 10 DBBE CC[C@H]1C(=O)N(CC)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 426377549 IPXMIJBHIPDBNI-VIFPVBQESA-N 310.314 -0.344 5 10 DBBE CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)NCCN(C)C 839714759 INLQBDCRZMUJOB-GRYCIOLGSA-N 314.386 -0.140 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)OCCC1CS(=O)(=O)C1 1322340525 XUQKXHNRKQSKEZ-UHFFFAOYSA-N 303.296 -0.080 5 10 DBBE CN(CC1CC1)C(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1494382216 CMEXIIFKOWTGJU-VXGBXAGGSA-N 310.354 -0.680 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCNC(=O)C1 1638328090 FPCNTARIWOETKA-UHFFFAOYSA-N 307.310 -0.661 5 10 DBBE CS(C)(=O)=NCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1638895864 CAMOJGJAJNJJOK-UHFFFAOYSA-N 316.339 -0.400 5 10 DBBE O=C1NC[C@H](O)CC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 1656350932 BCIQZZWECSOVEO-GFCCVEGCSA-N 323.353 -0.246 5 10 DBBE O=C(NCC1(O)CN(Cc2cncc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1699913412 VTMPQQDRFUZXPP-VXGBXAGGSA-N 324.312 -0.451 5 10 DBBE CN(CCCNC(=O)CCc1cn[nH]c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758379983 NTSUSKXZXIVZEA-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE COc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)O)c([N+](=O)[O-])c1 1865946161 UIMSCPLKBFGNFL-RKDXNWHRSA-N 300.223 -0.652 5 10 DBBE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1csc([N+](=O)[O-])c1 2200851942 OABZKGXXMZJROW-GEVIPFJHSA-N 302.264 -0.713 5 10 DBBE C[C@@H](O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)s1 2201009542 XNXVOXRRFNHDAL-CERHOOOWSA-N 304.324 -0.388 5 10 DBBE CO[C@H](CN)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2365428555 ZGRUVOJLGHXHFC-SSDOTTSWSA-N 307.303 -0.014 5 10 DBBE O=C(Cn1c[n+](N[N+](=O)[O-])cn1)Nc1ccc([N+](=O)[O-])cc1 16671705 SQPOLKGMHGPIHZ-UHFFFAOYSA-O 308.234 -0.547 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(=O)N(CC(F)(F)F)C1 489655489 YASZZDKFGGQYPY-UHFFFAOYSA-N 322.203 -0.623 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(C2CC2)[C@H]2CCNC2)n1 599102841 SHHGVSBLWREYQV-VIFPVBQESA-N 315.355 -0.157 5 10 DBBE C[C@H]1CCN(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599247919 WEZWEGFDYCFNQX-VIFPVBQESA-N 317.371 -0.052 5 10 DBBE C[C@@H]1C[C@H](O)CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599325703 HBGVYFNMUACFDI-SFYZADRCSA-N 304.328 -0.280 5 10 DBBE CS(=O)(=O)CCCCNc1ncnc(NN)c1[N+](=O)[O-] 692823093 XJYPHXAYUZHJIQ-UHFFFAOYSA-N 304.332 -0.093 5 10 DBBE CNCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 705956649 AJNXZZAIIFEGDZ-UHFFFAOYSA-N 304.328 -0.496 5 10 DBBE Nc1ccc(N2CCC[C@@H](S(N)(=O)=O)C2)nc1[N+](=O)[O-] 707422271 DFQFTQBKQNTKKX-SSDOTTSWSA-N 301.328 -0.171 5 10 DBBE CNc1cc([N+](=O)[O-])cc(N2CC[C@H](S(N)(=O)=O)C2)n1 707428438 LKGBENYLNVQNSM-QMMMGPOBSA-N 301.328 -0.101 5 10 DBBE C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CCN1S(C)(=O)=O 853564104 JYMDYINRANLVJU-SECBINFHSA-N 303.344 -0.286 5 10 DBBE CN(C)C(=O)OCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859222574 XZGLZDNCMHGLDI-UHFFFAOYSA-N 321.315 -0.695 5 10 DBBE C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 1116883079 IXOVGLRAUVNDNT-SEJYDQARSA-N 301.328 -0.446 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1N1CCN(CC(N)=O)C(=O)C1 1186673144 SGXNKECETPDUTM-UHFFFAOYSA-N 310.314 -0.746 5 10 DBBE O=C(NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)c1nc[nH]n1 1356639296 SZZPYABWQGRZAK-RKDXNWHRSA-N 308.298 -0.809 5 10 DBBE NC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 1464562242 VRABFEPYFLMDCL-QWRGUYRKSA-N 309.278 -0.659 5 10 DBBE CCCN(CCNC(=O)Cc1cnc[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581427051 YGUGQNSLMDJPOP-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(N2CCCC2=O)C1 1635945992 LFLHPIFKUHTODE-UHFFFAOYSA-N 307.310 -0.067 5 10 DBBE O=C(NCC1(NC(=O)C23CCN(CC2)C3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1759888205 DHNCYQUTFZWYHC-GHMZBOCLSA-N 322.365 -0.488 5 10 DBBE NCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2156030596 BVAFGPFMFZCFBF-UHFFFAOYSA-N 307.303 -0.013 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1Nc1[nH]c(=N)ccc1[N+](=O)[O-] 2207460657 QKLQXGFKTAZMBD-HTRCEHHLSA-N 302.312 -0.374 5 10 DBBE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1csc([N+](=O)[O-])c1 2233875409 YDOOKJIHFGUTKE-KHQFGBGNSA-N 302.308 -0.151 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](O)CO)ccc1Cl 90281341 BSSXEUMCHWQARU-ZCFIWIBFSA-N 310.715 -0.120 5 10 DBBE CNc1cccc(S(=O)(=O)N(CCO)CCO)c1[N+](=O)[O-] 126942581 KFNUKDFSPRBZCY-UHFFFAOYSA-N 319.339 -0.388 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@]3(CCOC3)C2)c1 185167633 VWXJFCTXQPXBDL-CHWSQXEVSA-N 312.326 -0.357 5 10 DBBE Cc1nn(C)c(C(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] 347987918 YETZQDXLHGULSN-ZJUUUORDSA-N 309.326 -0.208 5 10 DBBE CC(=O)c1cc(N2CCN(CC(N)=O)C(=O)C2)ccc1[N+](=O)[O-] 413426046 UQFYAXLELFSHLR-UHFFFAOYSA-N 320.305 -0.069 5 10 DBBE O=C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCN1 593542673 KNFVUYUBWXPBLM-UHFFFAOYSA-N 300.296 -0.500 5 10 DBBE COC(=O)c1cc(C(=O)N2C[C@@H](O)C[C@@H](O)C2)cc([N+](=O)[O-])c1 610669355 URPJGJRZGSIDFM-TXEJJXNPSA-N 324.289 -0.051 5 10 DBBE NNc1ncnc(N2CCSC[C@@H]2CCO)c1[N+](=O)[O-] 689675999 DYHWWCHUKOACED-ZETCQYMHSA-N 300.344 -0.025 5 10 DBBE CN(C)C[C@H](O)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 717333787 RUPGHBSYUUAJRL-SECBINFHSA-N 304.328 -0.809 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](O)[C@@H](C)O 717400811 GBUXAPZBFGQFMZ-PSASIEDQSA-N 304.324 -0.077 5 10 DBBE CCOC(=O)[C@@H](COC)OC(=O)Cn1ccc([N+](=O)[O-])n1 766323253 ZJTWRQRUFNSIQZ-MRVPVSSYSA-N 301.255 -0.087 5 10 DBBE C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C(=O)O1 845936255 WDTNXFXUXFXBSN-HTRCEHHLSA-N 301.280 -0.028 5 10 DBBE CN(CCNS(C)(=O)=O)c1cc(N)c([N+](=O)[O-])c(CO)c1 1117253560 MKUCEVDLRHIIFI-UHFFFAOYSA-N 318.355 -0.345 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(c2ccnc(O)c2[N+](=O)[O-])C1 1118589524 KENPSQQEGFNQEZ-SSDOTTSWSA-N 302.312 -0.177 5 10 DBBE CC12CC(CN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C2 1118703228 AVQUSJWAZMGZOW-UHFFFAOYSA-N 307.310 -0.082 5 10 DBBE Cn1cncc1[C@@H](CO)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1149212741 CNCLFWOYCMJRGI-SECBINFHSA-N 321.293 -0.660 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(=O)n(CCO)c2)n1 1162881689 ZHGUJZJGZNCVNG-UHFFFAOYSA-N 307.266 -0.265 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCC(=O)N=S(C)(C)=O 1469263638 BWDPNHPNCHDXBF-UHFFFAOYSA-N 317.327 -0.530 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NCCC[C@H]1C=NNC1=O 1557702096 SNKVENDOEQSYSX-VIFPVBQESA-N 308.298 -0.190 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)n1 1585517158 CYRFRDCWWPDZNH-OCAPTIKFSA-N 314.323 -0.555 5 10 DBBE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1624069639 NEIFFBUXOVZIFQ-IJLUTSLNSA-N 321.337 -0.194 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CC1OCCO1 1643839743 URJSRPXLLDRXSH-SSDOTTSWSA-N 300.271 -0.818 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1cccn1 1758369628 MJXKKXJYHQZQJC-GHMZBOCLSA-N 309.326 -0.487 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2CCNC[C@H]2F)c1 2146549637 HKTQMUAHXUJIBW-ZJUUUORDSA-N 304.303 -0.032 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](O)C(=O)O 2176845223 YERKXYCPLADIMW-MUWHJKNJSA-N 304.280 -0.293 5 10 DBBE CCc1nn(C)c(O[C@@H]2CS(=O)(=O)C[C@H]2N)c1[N+](=O)[O-] 2177960522 ZKGIVILVDICTJM-HTRCEHHLSA-N 304.328 -0.606 5 10 DBBE CO[C@H]1CNC[C@@H]1S(=O)(=O)N=c1cc[nH]cc1[N+](=O)[O-] 2202432652 UNMXHIKJJFOKRG-UWVGGRQHSA-N 302.312 -0.860 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1Nc1ncnc(F)c1[N+](=O)[O-] 2207471786 RMOLTEMJFGFMBT-WDSKDSINSA-N 306.275 -0.252 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Oc2ncnc(F)c2[N+](=O)[O-])C1 2285604557 CXYXVFNHOQHGJY-ZCFIWIBFSA-N 306.275 -0.063 5 10 DBBE COC(=O)[C@H](N)CS(=O)(=O)Nc1cc([N+](=O)[O-])ccn1 2286024548 VZOJNHIYANYYIH-SSDOTTSWSA-N 304.284 -0.768 5 10 DBBE CC(C)(NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)C(N)=O 44467452 BVTSXLUGYZVYKW-UHFFFAOYSA-N 303.296 -0.157 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC(CO)CO)sc1Cl 117589495 JFMFKCNOIYLHTB-UHFFFAOYSA-N 316.744 -0.059 5 10 DBBE NNc1ncc([N+](=O)[O-])c(NC2CCS(=O)(=O)CC2)n1 236286749 DOTSVUXHMKQQFQ-UHFFFAOYSA-N 302.316 -0.341 5 10 DBBE CC[C@H](CO)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 548387026 NNQSEAQHRKBHDU-SNVBAGLBSA-N 323.353 0.101 5 10 DBBE CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593525964 PRXVWLNZEDJHDJ-UHFFFAOYSA-N 314.323 -0.111 5 10 DBBE NC[C@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)O 715436890 OIMUCBPKOXMDNT-QMMMGPOBSA-N 305.268 -0.967 5 10 DBBE Cn1nncc1S(=O)(=O)NC(=O)c1ccccc1[N+](=O)[O-] 781742777 RGNLFUSADZFDSV-UHFFFAOYSA-N 311.279 -0.158 5 10 DBBE O=C(CO)NCCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 1144413456 LZCJAOURXDTHCJ-UHFFFAOYSA-N 311.294 -0.412 5 10 DBBE C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCN1S(C)(=O)=O 1192731554 WUTIOENVHVTVTO-VIFPVBQESA-N 317.371 -0.206 5 10 DBBE CCn1cnnc1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1261793714 SLIQXMXNPCHLLQ-UHFFFAOYSA-N 315.315 -0.582 5 10 DBBE CNC(=O)[C@H](O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 1339024540 KJUSPTOYUVISGR-SNVBAGLBSA-N 317.323 -0.879 5 10 DBBE CO[C@H](C)CS(=O)(=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1339093037 FHNLQQDVWRRGFC-ZCFIWIBFSA-N 306.300 -0.577 5 10 DBBE CN(C)C(=O)Cn1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])n1 1357921106 LRKIXZHYJSACSZ-UHFFFAOYSA-N 321.297 -0.135 5 10 DBBE CNS(=O)(=O)CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 1460622216 UHVNDLWGKLEJNX-GFCCVEGCSA-N 317.367 -0.059 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1c(F)cccc1[N+](=O)[O-] 1653050370 QWWJFVLQHZDFRJ-ZETCQYMHSA-N 320.298 -0.131 5 10 DBBE Cc1nc(N(C)CCNC(=O)Cn2ncnn2)ccc1[N+](=O)[O-] 1688342327 XECRHCAZDKCZME-UHFFFAOYSA-N 320.313 -0.463 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CNCCN(CCO)C(=O)C(F)F 1700021317 CTMFNWYEXWEDEF-UHFFFAOYSA-N 321.284 -0.496 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC(=S)NCCO 1858599304 KWQSHDRLZPZLSI-UHFFFAOYSA-N 305.337 -0.260 5 10 DBBE Cn1c(C(=O)NC[C@H](O)Cn2ccccc2=O)cnc1[N+](=O)[O-] 1891132194 IJJPXHNCSIVRKW-VIFPVBQESA-N 321.293 -0.719 5 10 DBBE NS(=O)(=O)NCCN=c1[nH]c2cc([N+](=O)[O-])ccc2o1 2157535722 YHPONXYWDWTRKS-UHFFFAOYSA-N 301.284 -0.637 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]32)n1 2196038606 UJCKFEYUTUFKGW-KCJUWKMLSA-N 300.340 -0.053 5 10 DBBE Nc1sc(S(=O)(=O)N2CC[C@H]2[C@H](O)CO)cc1[N+](=O)[O-] 2286224883 IPABGYVTJZHYBB-CAHLUQPWSA-N 323.352 -0.645 5 10 DBBE CC(CO)(CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 126259057 GMAPPHRNESZZLG-UHFFFAOYSA-N 308.287 -0.245 5 10 DBBE CN1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O 188364383 UXYTXJYJLXTEAO-UHFFFAOYSA-N 310.314 -0.335 5 10 DBBE CO[C@H]1C[C@@H](C(=O)O)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 262088640 CFIFIZGABGUJCN-YUMQZZPRSA-N 312.282 -0.049 5 10 DBBE NC(=O)[C@@]1(O)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 319276979 FQMDTIYQOJCMAG-CYBMUJFWSA-N 309.278 -0.578 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@@H]1O 323369943 DIMFPITYSWQCMX-BDAKNGLRSA-N 303.296 -0.785 5 10 DBBE C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H](C)N1CCOCC1 355141547 UPYRHAIMHWRGFJ-UWVGGRQHSA-N 312.330 -0.588 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN2CCOC[C@@H]2C1 371871019 WJMLSAZUXCDBSF-LBPRGKRZSA-N 322.321 -0.701 5 10 DBBE CNc1nccc(C(=O)N2CCO[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] 563408284 RLYZMXROGKXPEM-WPRPVWTQSA-N 310.310 0.253 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H](O)CO 698920960 ULHYJIWUJLLPQV-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCN1CCN(C)CC1 929425459 UKLOSSGEPSXEFJ-UHFFFAOYSA-N 324.385 -0.147 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CC2OCCO2)n1 1176629957 BQHVKNXHQBEHSY-SSDOTTSWSA-N 300.271 -0.818 5 10 DBBE O=C(NC1(CCO)CN(C(=O)c2ccoc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1285936036 ALBOFIOBSMCOTN-GHMZBOCLSA-N 323.305 -0.362 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCNC[C@@H]1c1cccnc1 1326611832 MAYFAANINLNVRD-LLVKDONJSA-N 317.309 -0.246 5 10 DBBE CN(Cc1cn(C)nn1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1348153234 LRAMRYHBYXXVTB-UHFFFAOYSA-N 315.315 -0.723 5 10 DBBE CN(CCNC(=O)CCCn1cncn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1355911337 SHNZPWGMJIKBAA-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE CN1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C(=O)N1 1466410599 RDAPNXNCKZSEFE-MRVPVSSYSA-N 322.277 -0.559 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccnnc1 1533490859 CJCMNYLPLJVOFD-COUIAZAYSA-N 305.294 -0.456 5 10 DBBE NC(=O)N1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 1637116861 PPVCAUCSMGFKBX-SECBINFHSA-N 310.314 -0.302 5 10 DBBE CCN(C)CCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1688660882 KGKDXXYPONJJIU-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)N1CC(O)C1 1914122649 IIKURKSTPHVOGJ-UHFFFAOYSA-N 303.296 -0.063 5 10 DBBE NC(=O)[C@@H]1C[C@@H](N)CN(c2nc(Cl)ncc2[N+](=O)[O-])C1 2162788562 ZBRVMUZRLATLSZ-PHDIDXHHSA-N 300.706 -0.323 5 10 DBBE NNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NC1COC1 2165343036 OKFBKQHEUVDDRN-UHFFFAOYSA-N 306.275 -0.303 5 10 DBBE CO[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 2188223181 STHIOTLFDIJJHR-WCBMZHEXSA-N 302.312 -0.054 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NC2(CO)CC(O)C2)c1 2193968883 JCTCFAVXWZMUAY-UHFFFAOYSA-N 303.296 -0.846 5 10 DBBE CS(=O)(=O)NCCN=c1ccn2ncc([N+](=O)[O-])c2[nH]1 2295870855 KTXWYNWXKQKLGX-UHFFFAOYSA-N 300.300 -0.980 5 10 DBBE NS(=O)(=O)NC[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 60378768 BBVRKHAGBKWRQR-SECBINFHSA-N 315.355 -0.001 5 10 DBBE CN1CCO[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 284384272 GGVWEEZRSNOJNO-RYUDHWBXSA-N 309.326 -0.277 5 10 DBBE C[S@](=O)CCCNC(=O)c1cc([N+](=O)[O-])ncc1NN 312249961 VTAGUBYFBJRBGK-FQEVSTJZSA-N 301.328 -0.226 5 10 DBBE COCCOCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594750470 IQVWAZHPPWJLHW-UHFFFAOYSA-N 305.312 -0.069 5 10 DBBE NCC1(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CCOCC1 599103081 MTPDGFQGVNEAIF-UHFFFAOYSA-N 316.339 -0.224 5 10 DBBE CC[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1O 599269482 TWEJVWRXOVCIFK-VXNVDRBHSA-N 304.328 -0.280 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCC3)n1 599347396 QUQCUWNIRXVDTP-RKDXNWHRSA-N 316.339 -0.090 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](CC(=O)O)C2)n1 600653697 MKIMPFTXSGIMMH-SSDOTTSWSA-N 318.311 -0.186 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2CCNC2=O)cc1[N+](=O)[O-] 693955554 RNAOEXKJFVNRCI-SCSAIBSYSA-N 306.325 -0.595 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CNC[C@H]1O 699963804 WXCSPMVFAFMKNT-WCBMZHEXSA-N 301.324 -0.486 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNC[C@H]2O)c(Cl)c1 699965687 ALBKJBORORDUCN-DTWKUNHWSA-N 321.742 -0.141 5 10 DBBE Nc1ncc([N+](=O)[O-])c(NCC2(S(N)(=O)=O)CCC2)n1 721515306 DVZBBHBBCUDABY-UHFFFAOYSA-N 302.316 -0.410 5 10 DBBE Cc1nn(C)c(C(=O)N2CC3(CN(C)C(=O)O3)C2)c1[N+](=O)[O-] 1183720936 PJDDZQUYUXPJBD-UHFFFAOYSA-N 309.282 -0.087 5 10 DBBE CCN(CCNC(=O)c1n[nH]cc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1284612862 CTITVSZRNJBLMO-NXEZZACHSA-N 309.326 -0.038 5 10 DBBE Cn1nnnc1CNCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 1495159560 YYAOXNUMAOTLCE-NXEZZACHSA-N 323.357 -0.606 5 10 DBBE CN(C)C(=O)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1570674051 RCICEYILUNHZAJ-GHMZBOCLSA-N 314.386 -0.186 5 10 DBBE CC(C)(CCC(=O)N1CCN2[C@H](CNS2(=O)=O)C1)[N+](=O)[O-] 1597327197 IOOWCIAZYXONNJ-SECBINFHSA-N 320.371 -0.817 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(Cc2cn[nH]c2)CC1 1643153971 RSSJRYWLHIMKBQ-UHFFFAOYSA-N 305.298 -0.001 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1=CCOCC1 1688397672 FOSWOZYWWCMROW-VXGBXAGGSA-N 311.338 -0.037 5 10 DBBE NS(=O)(=O)C1CN(c2ccc([N+](=O)[O-])cc2C(=O)O)C1 1915000776 HZVCXQRPABKAIV-UHFFFAOYSA-N 301.280 -0.230 5 10 DBBE NC[C@@H]1CC[S@@](=O)(=NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 2154593656 XIAGYZRZWSFKCS-FHZGZLOMSA-N 301.328 -0.236 5 10 DBBE CN(C)c1nc(=NC[C@H]2CCS2(=O)=O)[nH]cc1[N+](=O)[O-] 2157676845 QKZCNCXALSXATC-SSDOTTSWSA-N 301.328 -0.528 5 10 DBBE CCS(=O)(=O)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(=N)[nH]2)C1 2179901467 HEJUKCKVZCHCDK-SSDOTTSWSA-N 301.328 -0.189 5 10 DBBE CO[C@@H]1C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 2188222944 SHTNBBUIMGNVBS-RKDXNWHRSA-N 302.312 -0.054 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1Nc1ncc([N+](=O)[O-])c(=N)[nH]1 2207472797 YZXVRFZUMHSLMX-CAHLUQPWSA-N 303.300 -0.979 5 10 DBBE CS(=O)(=O)NC1CN(c2ccc([N+](=O)[O-])c(NN)c2)C1 2234453028 LZTPSQROPXAMFH-UHFFFAOYSA-N 301.328 -0.382 5 10 DBBE CO[C@@H](CO)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 2295305345 ICNJYXMXVDQAGJ-SSDOTTSWSA-N 305.312 -0.537 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2[C@H]3CC[C@H]2COC3)n1 599327620 UPGQXJQSFIPDRS-YUMQZZPRSA-N 302.312 -0.120 5 10 DBBE NNc1ccc(S(=O)(=O)Nc2nn[nH]n2)cc1[N+](=O)[O-] 709881771 RLOUEKFQFJVAFY-UHFFFAOYSA-N 300.260 -0.806 5 10 DBBE C[C@H](O)[C@@H](O)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 717413615 FHRUYCHHWQTRHP-WKEGUHRASA-N 308.287 -0.246 5 10 DBBE CC(C)S(=O)(=O)CCCOC(=O)Cn1cnc([N+](=O)[O-])n1 758937221 QOGZDBXHLYCNIV-UHFFFAOYSA-N 320.327 -0.057 5 10 DBBE CN(CCNCC(=O)Nc1ccon1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1481229439 PLKXMPAZLNNYHW-RKDXNWHRSA-N 311.298 -0.674 5 10 DBBE CC(C)N(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)C 1493859763 WWOLQBBVJFQXEE-VXGBXAGGSA-N 314.386 -0.044 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@@H]2CC[C@H]2N)n1 2240647512 GUPWZNYHWMICMK-JGVFFNPUSA-N 303.344 -0.515 5 10 DBBE C[C@H](O)CN(CCN)S(=O)(=O)c1cncc([N+](=O)[O-])c1 2285469965 JPLALYQDHJXNCW-QMMMGPOBSA-N 304.328 -0.680 5 10 DBBE O=[N+]([O-])c1ccc(C[C@H]2CNCCNCCNCCN2)cc1 36462290 OKWOSNVPILWYNU-AWEZNQCLSA-N 307.398 -0.122 5 10 DBBE in-vitro CCNC(=O)C1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 178131567 IGAGJHITGSVGTC-UHFFFAOYSA-N 308.294 -0.649 5 10 DBBE C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1(=O)=O 247521956 NMIUGCIACCZQAJ-MWLCHTKSSA-N 318.355 -0.729 5 10 DBBE O=[N+]([O-])c1cnc2ccc(NC[C@@H](O)CN3CCOCC3)nn12 301909133 FKEDBTHJTQOYLM-SNVBAGLBSA-N 322.325 -0.258 5 10 DBBE CC(C)(C(=O)N[C@H]1CCC(=O)NC1=O)n1cc([N+](=O)[O-])cn1 436024127 XOVXLYWYLCXSNQ-QMMMGPOBSA-N 309.282 -0.552 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@](O)(CO)C1 594785561 NMYKEBUSWPWCLY-LLVKDONJSA-N 317.323 -0.502 5 10 DBBE CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599266392 NZIHBOGOFBXCHN-HTRCEHHLSA-N 324.384 -0.281 5 10 DBBE COC[C@@](C)(NC(=O)Cn1c([N+](=O)[O-])cnc1C)C(=O)OC 1127093516 HRNNEQRWQBKTCG-GFCCVEGCSA-N 314.298 -0.206 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](O)CN1CCCC1=O 1150451543 JMUTZRTUCTYRLR-MRVPVSSYSA-N 311.298 -0.959 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 1157293563 MSGHBFSNYRXLME-IEBDPFPHSA-N 311.294 -0.853 5 10 DBBE CN(C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)S(C)(=O)=O 1544434658 WDAJEEXPJZYPAX-GMTAPVOTSA-N 319.383 -0.218 5 10 DBBE Cc1ccc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 1584954484 VTKHPHQEXQNVCQ-MWLCHTKSSA-N 319.321 -0.171 5 10 DBBE CC[C@H]1C(=O)NCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 1655677207 KSTOQSBYZMKAFU-RYUDHWBXSA-N 311.342 -0.247 5 10 DBBE Cn1cc(CN2CCS(=O)(=O)C[C@H]2CCO)c([N+](=O)[O-])n1 1660258600 BCRQEZLRNARDDG-SNVBAGLBSA-N 318.355 -0.690 5 10 DBBE CCN(CCNC(=O)CC1(O)CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737798835 YNRBFCREGZXQJG-GHMZBOCLSA-N 313.354 -0.079 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1N=c1cc(C)[nH]cc1[N+](=O)[O-] 1917800001 ATSAOHABMSGIDZ-MWLCHTKSSA-N 301.324 -0.056 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N[C@@H](C(=O)O)C1CS(=O)(=O)C1 2197523189 CMTMSWGOSIIZDU-ZCFIWIBFSA-N 304.284 -0.762 5 10 DBBE CN(Nc1nc(=N)[nH]cc1[N+](=O)[O-])S(=O)(=O)C1CCC1 2365269203 RPGKLGNCHVTPQN-UHFFFAOYSA-N 302.316 -0.062 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50674396 YWGIFVFWCOQKPU-ZCFIWIBFSA-N 302.312 -0.410 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 159211974 VLNFCCQJTGJEAP-GOSISDBHSA-N 307.353 -0.166 5 10 DBBE Nc1c([N+](=O)[O-])ccc(F)c1C(=O)NCCS(N)(=O)=O 222911936 KWGKNWPBVZHNII-UHFFFAOYSA-N 306.275 -0.666 5 10 DBBE CN(c1cc([N+](=O)[O-])cc(NN)n1)[C@@H]1CCS(=O)(=O)C1 234319716 OXYNCZVTIVFXQM-SSDOTTSWSA-N 301.328 -0.101 5 10 DBBE CN1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593577861 OSPYZNWMLPTNKX-NSHDSACASA-N 316.339 -0.665 5 10 DBBE Nc1ncc(C(=O)NCCN2CCNC2=S)cc1[N+](=O)[O-] 1160308918 QAOHLYWNIJWORL-UHFFFAOYSA-N 310.339 -0.508 5 10 DBBE NC(=O)[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C(N)=O 1196091751 BKGFRFSWYBIJED-UWVGGRQHSA-N 310.285 -0.248 5 10 DBBE CC(C)NS(=O)(=O)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] 1323393204 VYVKTRRAFWBOBT-UHFFFAOYSA-N 319.343 -0.614 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 1326252190 BUYJECOURLSLKF-ILWJIGKKSA-N 307.310 -0.178 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCOC[C@]12CCOC2 1448379425 XLFGKPLOWACJJD-CQSZACIVSA-N 323.305 -0.226 5 10 DBBE CS(=O)(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 1545351542 VWZXWFJVIBAYKJ-UHFFFAOYSA-N 302.312 -0.033 5 10 DBBE N[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1615977022 GPLGNQGLXIGDHD-QWRGUYRKSA-N 301.324 -0.011 5 10 DBBE O=C(NC1CCN([C@H]2CCOC2=O)CC1)c1n[nH]cc1[N+](=O)[O-] 1623682135 FZFLKVWDBBLCNS-VIFPVBQESA-N 323.309 -0.172 5 10 DBBE O=C(NCCN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1691703017 NZMGGJRZSLMVTG-GWNIPJSYSA-N 324.381 -0.338 5 10 DBBE Cc1nc(NN)[nH]c(=NCCN=S(C)(C)=O)c1[N+](=O)[O-] 1913486819 YOQMLHXFDJVMAG-UHFFFAOYSA-N 303.348 -0.460 5 10 DBBE O=C1NOC[C@@H]1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2148982157 REPGJWRFRRHKJO-ZETCQYMHSA-N 305.243 -0.558 5 10 DBBE C[S@](=O)C1CN(S(=O)(=O)c2cccc(N)c2[N+](=O)[O-])C1 2171955596 AKIWZOJYSMGBNI-IBGZPJMESA-N 319.364 -0.072 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=N[C@@H]2C[P@@](C)(=O)C[C@@H]2O)[nH]1 2177955624 ZWNVWRKYOQYUQO-NVCUEICFSA-N 301.243 -0.582 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1ncc(F)cc1[N+](=O)[O-] 2192680822 YQVRJQPJCSIZII-APPZFPTMSA-N 304.303 -0.074 5 10 DBBE N[C@]1(C(=O)Nc2ncccc2[N+](=O)[O-])CCS(=O)(=O)C1 2202434626 UNDPUEQTKNPZTP-SNVBAGLBSA-N 300.296 -0.556 5 10 DBBE CSC1(C(=O)O)CN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 2362137612 VJIFRLMZUJTLQF-UHFFFAOYSA-N 300.296 -0.030 5 10 DBBE O=C(O)[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 88376548 QLSIWFFOHMCECX-QMMMGPOBSA-N 317.279 -0.536 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](O)CO)ccc1Cl 90281340 BSSXEUMCHWQARU-LURJTMIESA-N 310.715 -0.120 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 131311257 LFZKHJHTIIUQQB-LURJTMIESA-N 317.327 -0.707 5 10 DBBE CNc1cc(S(=O)(=O)NCc2nnn[nH]2)ccc1[N+](=O)[O-] 132216341 NSOSZPKOKXWPCW-UHFFFAOYSA-N 313.299 -0.372 5 10 DBBE C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 342282684 JRKYJCJHOCWYTK-WDEREUQCSA-N 324.341 -0.492 5 10 DBBE O=C(O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)COC1 369962273 NAJKYMDIPARXLC-UHFFFAOYSA-N 302.264 -0.273 5 10 DBBE O=C1CN=C(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)N1 778272355 HOXAQGUKVTWBEW-UHFFFAOYSA-N 306.263 -0.185 5 10 DBBE NC(=O)N[C@H](CO)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1137278911 VPUNZLZORLXDTK-LLVKDONJSA-N 308.294 -0.491 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1N(CCO)CCOCCO 1307139135 MNYFHSOFUBWRCK-UHFFFAOYSA-N 302.331 -0.073 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)(O)CC2)n1 1329784232 KBEQOETYIYQGJA-UHFFFAOYSA-N 304.328 -0.136 5 10 DBBE NC(=O)[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 1464562234 VRABFEPYFLMDCL-MNOVXSKESA-N 309.278 -0.659 5 10 DBBE COc1cccc(C(=O)N2CC(S(N)(=O)=O)C2)c1[N+](=O)[O-] 1570263050 YTRDVHHHGLFRSH-UHFFFAOYSA-N 315.307 -0.284 5 10 DBBE O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1617047353 LVOKNZNUGQHETB-YNEHKIRRSA-N 312.370 -0.826 5 10 DBBE CS(=O)(=O)CC1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)COC1 1643893650 VHVDPCQEHGGKKJ-UHFFFAOYSA-N 303.296 -0.534 5 10 DBBE NCCN(CCN)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2152186519 JQIISAVSEVULTH-UHFFFAOYSA-N 306.319 -0.358 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CN)CO 2182586421 SIDWRRLGDDAINF-SSDOTTSWSA-N 305.312 -0.799 5 10 DBBE C[C@@H](O)[C@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131364879 BZCHFRPVLXKDKD-HZGVNTEJSA-N 307.303 -0.280 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Nc2ncnc(N)c2[N+](=O)[O-])C1 400137621 URLJTZKKEGFZLP-ZCFIWIBFSA-N 302.316 -0.587 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCNCC2)n1 566203405 SDJQFVDIFYLQBA-UHFFFAOYSA-N 310.358 -0.164 5 10 DBBE CC(C)NC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593526550 UXWMILLAPWOGRE-UHFFFAOYSA-N 302.312 -0.207 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1COCCN1C 600420878 LQALQJCWJRJUOW-LLVKDONJSA-N 311.342 -0.063 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N[C@H]2CNC[C@H]2O)c1 699963002 POZLBGBRMNQKCA-DTWKUNHWSA-N 305.287 -0.655 5 10 DBBE CS(=O)(=O)CC1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1116232133 WRXPVQADYIXAKN-UHFFFAOYSA-N 317.327 -0.873 5 10 DBBE O=C(NCCN1CCN(CCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1265258321 GAJAHCGCBMYDFH-VXGBXAGGSA-N 302.350 -0.255 5 10 DBBE Cc1cc(O)ncc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1283004564 FWCINOJXALSZTH-PSASIEDQSA-N 308.294 -0.393 5 10 DBBE COC1(COC(=O)Cn2cnc([N+](=O)[O-])n2)CCOCC1 1344402085 NBTPYIIUIJQWNL-UHFFFAOYSA-N 300.271 -0.075 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[C@H]1C=NNC1=O 1470578253 FBYWNZZEWLBHMR-VIFPVBQESA-N 308.298 -0.272 5 10 DBBE CN=[S@@](C)(=O)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C 1633998862 LFGUXNOJQCYQRI-FQEVSTJZSA-N 303.344 -0.056 5 10 DBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@@H](O)[C@@H](CO)C1 1642401839 PDZKOBYPAHTDQI-ZWNOBZJWSA-N 320.305 -0.244 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](CO)CC1OCCO1 1643839744 URJSRPXLLDRXSH-ZETCQYMHSA-N 300.271 -0.818 5 10 DBBE O=C(NC/C=C\CNCCN1C(=O)CCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1716292383 JBXJFGGKIHPBFQ-JLVKAVFRSA-N 324.337 -0.937 5 10 DBBE Cc1cn(C)nc1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737132209 HJLYQHIFDJHIGJ-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@@H]1[C@@H]2COC[C@@H]21 2188908783 GBQAZUZTKJLKDP-RNLVFQAGSA-N 302.312 -0.360 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2CC3(CNC3)CS2(=O)=O)n1 2236668977 YPUDJMINORDIPZ-UHFFFAOYSA-N 301.328 -0.937 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Oc2ccc(N)c([N+](=O)[O-])n2)C1 2285605220 ODIWZDVBXZESJI-SSDOTTSWSA-N 302.312 -0.015 5 10 DBBE Cc1cc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)cc([N+](=O)[O-])c1C 93091839 YYMRNVWZACJJHH-TXEJJXNPSA-N 316.335 -0.062 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 132274629 BGKSFBVBZHZNTM-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE NC(=O)CONS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 169168964 RSHSJNAUHRVDSM-UHFFFAOYSA-N 309.687 -0.057 5 10 DBBE CN1CCN(Cc2ccc([N+](=O)[O-])c(NN)c2)S1(=O)=O 312434412 WCRZBQDQNQIDTP-UHFFFAOYSA-N 301.328 -0.127 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 342393371 XDOSROCUUCYEND-SSDOTTSWSA-N 303.296 -0.049 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN2C[C@H](O)C[C@H]2C1 594230526 QCRKBVIOHWRVJI-CMPLNLGQSA-N 324.341 -0.748 5 10 DBBE CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594754741 CBUVPJGLYYNYPZ-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE COCCOC[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1116147413 NDCIHELVQAFPCF-JTQLQIEISA-N 313.314 -0.302 5 10 DBBE NC(=O)[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1135516842 ALGUGUIHBBHJIM-VIFPVBQESA-N 308.294 -0.520 5 10 DBBE O=C1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCN1 1256993881 VFZRJLKWRJWNHZ-UHFFFAOYSA-N 320.305 -0.441 5 10 DBBE C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334955961 AZIFPULXBNKEEM-IIYDVTGLSA-N 324.384 -0.284 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCC[C@@H]1C=NNC1=O 1454189499 YQFKYLWSJPBNOE-SECBINFHSA-N 321.293 -0.615 5 10 DBBE Cc1nc(C)n(CCN(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1482595408 OWCDQSACYITCLU-CHWSQXEVSA-N 324.385 -0.050 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC(=O)NC 1492945919 OWSINDSGVLNQCP-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCN2C(=O)CSC2=O)n1 1626257394 RLVVEVMFGMBBOX-UHFFFAOYSA-N 313.295 -0.247 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1N1CC2(C[C@H](O)CNC2=O)C1 1643188058 ZGKZPQZQBQYRIA-VIFPVBQESA-N 309.326 -0.193 5 10 DBBE Cc1nc(C)n(CCN(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1663180980 VQDFTTWXOVMNEP-VXGBXAGGSA-N 310.358 -0.392 5 10 DBBE CC(C)N(C)C(=O)CNCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1691315075 SFEMOAGYDRKREW-GHMZBOCLSA-N 300.359 -0.434 5 10 DBBE O=C1NOC[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2148981860 PMNIAYHVMRMYIS-VIFPVBQESA-N 301.280 -0.556 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC([C@@H](F)CO)C2)cn1 2166896978 TTXWXDYDKCFIAK-VIFPVBQESA-N 305.287 -0.059 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NCCN1CCP(C)(=O)CC1 2199619704 NIZYMJMMKZUAON-UHFFFAOYSA-N 302.275 -0.134 5 10 DBBE O=C(O)CS(=O)(=O)CCn1ccc(Cl)c([N+](=O)[O-])c1=O 2207100583 INSYIUQUOCSGLY-UHFFFAOYSA-N 324.698 -0.091 5 10 DBBE O=[N+]([O-])c1ccc(CN2C[C@H]3CNCCN3S2(=O)=O)o1 2236800972 ZKNVQHCNLKEPNE-MRVPVSSYSA-N 302.312 -0.478 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(=NCCS(=O)(=O)CCO)[nH]1 2360985352 KCJUDALRKANNRB-UHFFFAOYSA-N 306.344 -0.387 5 10 DBBE NNc1cc(NCCS(=O)(=O)CCO)cc([N+](=O)[O-])c1 2361005274 OUQNQNPYFMOQOO-UHFFFAOYSA-N 304.328 -0.301 5 10 DBBE CCCS(=O)(=O)N(C)Nc1nc(NN)ncc1[N+](=O)[O-] 2365291056 YRKPSHPZRZVURO-UHFFFAOYSA-N 305.320 -0.331 5 10 DBBE NC(=O)[C@H]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 132050084 LOECKDLQNHVABB-VHSXEESVSA-N 322.321 -0.083 5 10 DBBE NC(=O)OCCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 135278798 JRAKCFHTUDMUSQ-UHFFFAOYSA-N 304.284 -0.449 5 10 DBBE CN1CCN(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N)CC1 150103865 PLLKJXXMCZIASF-UHFFFAOYSA-N 315.355 -0.382 5 10 DBBE CO[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 227282326 LUEYTTDQSYNSDY-ZETCQYMHSA-N 305.268 -0.632 5 10 DBBE CN(C(CO)CO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N 312534574 HBKIWPREZUFZRC-UHFFFAOYSA-N 305.312 -0.849 5 10 DBBE O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](CO)CN1CCOCC1 339212237 AKTBOZMHLQJSPA-ZDUSSCGKSA-N 323.349 -0.053 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H]3CNC[C@H]32)cc1 366988955 NLVDPYSJUVRWQF-NEPJUHHUSA-N 313.335 -0.044 5 10 DBBE CN1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 548432873 AMFQDHGPLGZOJG-UHFFFAOYSA-N 306.278 -0.417 5 10 DBBE CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] 599490001 HLWROQASAOIPGU-OCAPTIKFSA-N 314.323 -0.126 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)c1cccc(N)c1[N+](=O)[O-] 719725131 WIZGWTGLNINGAR-UHFFFAOYSA-N 302.312 -0.463 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(O)(C(N)=O)CC2)n1 1139145525 HVCGLVUOEBHFHC-UHFFFAOYSA-N 308.294 -0.249 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(CCO)C[C@@H]1C 1142103128 AFAOQNPMFHWHSK-JTQLQIEISA-N 311.342 -0.375 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC2(CN(C)C(=O)O2)C1 1299509971 DPMXDRZIDPJMHY-UHFFFAOYSA-N 309.282 -0.237 5 10 DBBE CC(C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)[C@]1(O)CCOC1 1328578013 PPAHPVFKTSXZLT-LBPRGKRZSA-N 313.314 -0.520 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCN(C(=O)C2CC2)CC1 1338534425 CBXLOSLDFFHUPI-UHFFFAOYSA-N 322.325 -0.343 5 10 DBBE Cn1cc([C@@H]2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])CCN2)cn1 1557832739 IHDLODALURSVBX-JTQLQIEISA-N 305.298 -0.162 5 10 DBBE C[C@@H]1C(=O)N(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(=O)N1C 1633409298 HITUNBHPKSTHTL-SSDOTTSWSA-N 323.265 -0.930 5 10 DBBE CCN=c1[nH]cc([N+](=O)[O-])c(=NCCN=S(C)(C)=O)[nH]1 1913502078 YZJOWCIVNQMJQT-UHFFFAOYSA-N 302.360 -0.200 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H](O)C2)cn1 2161389836 AQKPSXKIWONCBU-HTQZYQBOSA-N 303.296 -0.894 5 10 DBBE O=C(O)[C@H](CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2188008166 MHEZRLLZJKFJFV-ZETCQYMHSA-N 304.280 -0.434 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1ncc(F)cc1[N+](=O)[O-] 2192680824 YQVRJQPJCSIZII-IONNQARKSA-N 304.303 -0.074 5 10 DBBE NC(=O)CCNS(=O)(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 2232784496 XFYOFIHJTDGCSJ-UHFFFAOYSA-N 322.730 -0.016 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]2[C@H](O)CO)c1 2286213306 REFJEAOCEHUMKP-GHMZBOCLSA-N 302.308 -0.289 5 10 DBBE CS(=O)(=O)C[C@H](Nc1ccnc(O)c1[N+](=O)[O-])C(=O)O 2360590475 LVPUNFOFZIKOOF-LURJTMIESA-N 305.268 -0.395 5 10 DBBE COCCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 164610303 OGDWSOLFNHFLOX-UHFFFAOYSA-N 319.339 -0.194 5 10 DBBE CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCS1(=O)=O 268322411 CGWJRXVZAKQMGQ-UHFFFAOYSA-N 316.339 -0.173 5 10 DBBE CN1CCN(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 298330030 WSQWPFIHNVZYHF-UHFFFAOYSA-N 308.342 -0.252 5 10 DBBE Cc1[nH]nc(C(=O)N[C@@H](CO)CN2CCOCC2)c1[N+](=O)[O-] 339218169 UUKDJEXRAAFADZ-SECBINFHSA-N 313.314 -0.951 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@@]2(CCSC2)C1 565543374 ILTXFHXUCANFJC-NSHDSACASA-N 313.339 -0.079 5 10 DBBE O=C(O)[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C1CC1 593704065 WEBYZYCFHAUTQQ-DTWKUNHWSA-N 309.282 -0.245 5 10 DBBE CNc1nccc(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1[N+](=O)[O-] 594371544 DBQYEZRTCSQNJE-IQFKYQIUSA-N 310.335 0.377 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O 594797490 YJBZSQCSWIMGHD-AQRPAEKGSA-N 317.348 -0.116 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C 598011635 VZKFFBDXWKDCQU-GZMMTYOYSA-N 312.282 -0.454 5 10 DBBE CCN(C)C(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599282425 QJSZMUIBRVQCMW-UHFFFAOYSA-N 305.316 -0.915 5 10 DBBE C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859122303 FIDXGDLUDNQRLW-SSDOTTSWSA-N 317.327 -0.821 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)[C@H]2CCCOC2)n1 1320787373 UACDTKFKFKKAIH-ZETCQYMHSA-N 318.311 -0.433 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCNC(=O)CC2)n1 1330324022 NUEQACHUPLNAMS-SSDOTTSWSA-N 317.327 -0.725 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N(CCO)CCOCCO 1454215868 BFJOIXRRYFKQOU-UHFFFAOYSA-N 313.310 -0.380 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1565534843 ZRDULDSITSDCQB-LBELIVKGSA-N 314.294 -0.885 5 10 DBBE CCn1ncc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1568849090 SLWYQMJFRUDYOH-OPVGQWETSA-N 308.342 -0.275 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CC(N[C@@H]2CCOC2)C1 1612978895 CRUDJBAYGGRDPL-MRVPVSSYSA-N 307.310 -0.344 5 10 DBBE COC(=O)[C@H](CC1OCCO1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 1636307515 HHFYMMRSFGQMHQ-QMMMGPOBSA-N 313.266 -0.043 5 10 DBBE O=C(CN1C[C@H](O)[C@@H](CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 1646102474 ZHZJQYPTHCKYPJ-RISCZKNCSA-N 321.333 -0.231 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1 1653049925 GXLUMDRNDDXOHS-SNVBAGLBSA-N 302.308 -0.270 5 10 DBBE CC(C)N(CCN(C)C(=O)c1nc[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1701865640 HVUMHCUCNSLTRI-NXEZZACHSA-N 324.341 -0.221 5 10 DBBE CCOc1cc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 1703178630 VTUCTGSNUSSUCM-GHMZBOCLSA-N 322.321 -0.009 5 10 DBBE O=C(NCCO)[C@@H]1C[C@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1 1861034012 JTSSMLOWSCZQEL-RYUDHWBXSA-N 323.305 -0.721 5 10 DBBE O=[N+]([O-])c1c(N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)nc2sccn12 2165125256 VEZTTXQAQOKEIF-JRTVQGFMSA-N 300.296 -0.429 5 10 DBBE C[P@]1(=O)C[C@@H](O)[C@@H](Nc2ncnc(NN)c2[N+](=O)[O-])C1 2177956342 RPWPLAQOUQULQQ-OBNOKIJXSA-N 302.231 -0.182 5 10 DBBE C[C@H]1[C@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 2182524124 RPQHUZICNFFZNY-IMTBSYHQSA-N 302.312 -0.366 5 10 DBBE CCCN=c1ccc(S(=O)(=O)N2CC([N+](=O)[O-])C2)c[nH]1 2191517057 QDSXYMQWHMZLIO-UHFFFAOYSA-N 300.340 -0.025 5 10 DBBE NNc1cc(NC(C(N)=O)C(N)=O)c(Cl)cc1[N+](=O)[O-] 2234470516 OESMHPGSLQBAPB-UHFFFAOYSA-N 302.678 -0.715 5 10 DBBE O=C(NCCS(=O)(=O)CCO)c1cccc([N+](=O)[O-])c1 2360993817 IKNDQEDNWVXRID-UHFFFAOYSA-N 302.308 -0.268 5 10 DBBE CC(C)NC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50658583 LWDORTPZYJQVJL-UHFFFAOYSA-N 316.339 -0.020 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CC(N)=O)CC1 54482487 TYMFSYULLCNTDZ-UHFFFAOYSA-N 307.310 -0.459 5 10 DBBE C[C@H](O)[C@@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 80737659 SROQXIYDEOVCKE-RCOVLWMOSA-N 307.303 -0.280 5 10 DBBE COCCN(CCO)S(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 164606884 KUCMGFVQTAEVAH-UHFFFAOYSA-N 319.339 -0.194 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CNC(=O)C1 229363191 MBKZSQOZQYYQRR-ZCFIWIBFSA-N 300.296 -0.656 5 10 DBBE O=C1NCC[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 594791767 OMWKJTNBGFXFOH-NSHDSACASA-N 313.335 -0.055 5 10 DBBE C[C@]1(CO)CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 725373955 CAIXYYWADXWJHY-GFCCVEGCSA-N 315.351 -0.060 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@@H]2CCO)c1 762337521 HRKWVGOWYDTJSX-CMPLNLGQSA-N 300.315 -0.765 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)[C@@H]2CCCOC2)n1 1320787371 UACDTKFKFKKAIH-SSDOTTSWSA-N 318.311 -0.433 5 10 DBBE Cn1nccc1C1(O)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 1471472169 IZVVWRMMTBVYDB-UHFFFAOYSA-N 320.309 -0.355 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(n2ccnn2)C1 1650908488 QUQRXUVZQCODHZ-UHFFFAOYSA-N 304.266 -0.569 5 10 DBBE Cn1cc(CN2CCC3(CC2)C[C@H](O)CNC3=O)c([N+](=O)[O-])n1 1660456840 QHWUVHGAWWGOOY-NSHDSACASA-N 323.353 -0.209 5 10 DBBE Cn1cnc(C(=O)NCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)c1 1759080164 XJONVWOVRIXRLO-ZYHUDNBSSA-N 321.337 -0.194 5 10 DBBE COC(=O)CNC(=O)CCNC(=O)Cc1ccccc1[N+](=O)[O-] 1868005492 XVRQJMMLDXPTCC-UHFFFAOYSA-N 323.305 -0.067 5 10 DBBE COc1ccc([N+](=O)[O-])c(C2(C(=O)O)CS(=O)(=O)C2)n1 2146101210 VCAPPEXLLURQIL-UHFFFAOYSA-N 302.264 -0.251 5 10 DBBE NS(=O)(=O)c1ccc(N2CCNNCC2)c([N+](=O)[O-])c1 2152175021 DGVBYPHNDWXEPZ-UHFFFAOYSA-N 301.328 -0.844 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2174119069 NDDCBLBHJYXTTD-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE O=C(O)[C@@H]1CN(c2cncc([N+](=O)[O-])c2)CCS1(=O)=O 2197722574 UEQBCCUAPXBLTI-VIFPVBQESA-N 301.280 -0.322 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC[C@H](F)C2)cn1 2234651699 RZJOQRVKZRVHRJ-SFYZADRCSA-N 304.303 -0.032 5 10 DBBE C[C@@H](O)[C@H](N)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 80737509 RVJHGRBPTUQBNM-HTRCEHHLSA-N 307.303 -0.280 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC(CO)CO 94780243 IWJVWZGYOOKWJU-UHFFFAOYSA-N 308.287 -0.326 5 10 DBBE Nc1sc(S(=O)(=O)NCCc2ncn[nH]2)cc1[N+](=O)[O-] 125624596 IADQGRGKMNMKKD-UHFFFAOYSA-N 318.340 -0.122 5 10 DBBE CC(C)COC[C@@H](O)CNC(=O)Cn1cnc([N+](=O)[O-])n1 448261314 PBNNNPGBYGMYAJ-VIFPVBQESA-N 301.303 -0.664 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCNC(C)(C)C2)n1 599100716 MMDLIFWBZJYZAZ-UHFFFAOYSA-N 303.344 -0.299 5 10 DBBE CN([C@H]1COC[C@H]1O)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 709288309 CVQQWZGBRMUTBF-DTWKUNHWSA-N 303.296 -0.630 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)n1 1118738120 QYTVCCZLWXNAOG-LLVKDONJSA-N 323.353 -0.001 5 10 DBBE NC(=O)CN1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2O)C1 1144429349 SCSBXFKJQQZGEM-VIFPVBQESA-N 322.321 -0.020 5 10 DBBE C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@H](C)CN1CCO 1162247837 BRKVPAFKJOQOPI-VHSXEESVSA-N 311.342 -0.145 5 10 DBBE C[C@H](CN1CCOCC1)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 1458899070 VFFABJYYWAKVNY-SNVBAGLBSA-N 324.337 -0.176 5 10 DBBE CCCn1nnnc1CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1472959716 UQGHMVAEGHWVMH-GHMZBOCLSA-N 323.357 -0.608 5 10 DBBE CNC(=O)CN(C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1494195101 GAHFCSIUASUMBU-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE CCn1cc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1580692621 JJVOJAKLMDPNHJ-GHMZBOCLSA-N 309.326 -0.244 5 10 DBBE COCCN1C(=O)N[C@@H]2CN(c3c([N+](=O)[O-])ncn3C)CC[C@H]21 1615494071 VAXSGTJNGVOYHN-NXEZZACHSA-N 324.341 -0.053 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)n1 1648402183 KEMULJGMTLUCGK-QWRGUYRKSA-N 323.353 -0.001 5 10 DBBE CCN(CCNC(=O)CN(C)C(C)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688387696 GGOYELMQBWWPKU-GHMZBOCLSA-N 314.342 -0.905 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(NC[C@@H]2CCS(=O)(=O)N2)[nH]1 2146221695 WASNRGXMMVMICA-ZETCQYMHSA-N 301.328 -0.443 5 10 DBBE NC[C@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2153167966 JGADBJTYDKQEOQ-QMMMGPOBSA-N 302.312 -0.662 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H](O)C2)c1 2161391673 SGVZTYRESLLWCH-NXEZZACHSA-N 302.308 -0.289 5 10 DBBE C[C@H](O)[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O 21819118 CYDQGJHPAGQUAK-OIBJUYFYSA-N 318.307 -0.152 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](N)[C@@H](C)O 80737707 GMUUPOSZAMBQHE-SCZZXKLOSA-N 303.340 -0.110 5 10 DBBE C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1(=O)=O 173776096 NMIUGCIACCZQAJ-KOLCDFICSA-N 318.355 -0.729 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCC1(N2CCOCC2)CC1 433728625 CSKSSBOHVGTYII-UHFFFAOYSA-N 310.314 -0.833 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)c2cn(C)nn2)c1 593423869 MZIYVDJJVAXCFV-UHFFFAOYSA-N 321.249 -0.446 5 10 DBBE O=Cc1ccc(OCC(=O)N2CC(O)(CO)C2)c([N+](=O)[O-])c1 854673868 NXMPHFKSXZJBSA-UHFFFAOYSA-N 310.262 -0.648 5 10 DBBE CNC(=O)CN(CC(=O)NC)C(=O)c1cccc([N+](=O)[O-])c1 1303306271 CBPFSDHSKHTDDX-UHFFFAOYSA-N 308.294 -0.471 5 10 DBBE Cc1cc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 1700490915 PGFHUAIDLKVGOA-VXGBXAGGSA-N 324.337 -0.299 5 10 DBBE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ncnn1C 1724853174 YKDKJBZYYCVDFK-GHMZBOCLSA-N 310.358 -0.239 5 10 DBBE NC(=O)C1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CC1 2177590314 FJIDWBDNBXQMPY-UHFFFAOYSA-N 320.352 -0.218 5 10 DBBE COC(=O)[C@H](N)CC[S@@](=O)Cc1nn(C)cc1[N+](=O)[O-] 2195299523 UUDDUIAEIZMKOP-JLPJYYFKSA-N 304.328 -0.533 5 10 DBBE NNc1ccc([N+](=O)[O-])c(NC[C@@H]2CCS(=O)(=O)N2)c1 2206775218 GIMUBXQGOZCFQV-QMMMGPOBSA-N 301.328 -0.016 5 10 DBBE COCCS(=O)(=O)CCN=c1[nH]n(C)c(C)c1[N+](=O)[O-] 2207479263 YKYGZVNUBUXEEH-UHFFFAOYSA-N 306.344 -0.468 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=N[C@H](C)CS(N)(=O)=O)[nH]1 2286730075 QIJCMDQHHZMCIA-ZCFIWIBFSA-N 305.316 -0.958 5 10 DBBE COC(=O)[C@@H](C)NC[C@@H](O)Cn1nc(C)c([N+](=O)[O-])c1C 69369699 VYGAOKQQRWXDSG-PSASIEDQSA-N 300.315 -0.080 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCO 228410468 FWQVJDYQWXXNRR-UHFFFAOYSA-N 318.307 -0.006 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@H](N)C(=O)O)cc1[N+](=O)[O-] 323272567 GGGPFGYJRZOVAD-QMMMGPOBSA-N 303.296 -0.407 5 10 DBBE Cn1nccc1[C@H]1NC(=O)N(CCn2cc([N+](=O)[O-])cn2)C1=O 348354540 AVDCHEINMQMXEC-SNVBAGLBSA-N 319.281 -0.182 5 10 DBBE COC[C@@H](Cn1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C)OC 694633259 COBZXDNNFIETPY-SSDOTTSWSA-N 308.316 -0.591 5 10 DBBE NNc1cc([N+](=O)[O-])cc(NCC2(S(N)(=O)=O)CC2)n1 713962249 BQEJZFSUYNALDL-UHFFFAOYSA-N 302.316 -0.492 5 10 DBBE O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(O)CNC1 852803232 WLURSOQMIOEHAY-UHFFFAOYSA-N 306.322 -0.422 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3(CCOC3)C2)n1 859173070 XVRJYNNWTOOXHE-UHFFFAOYSA-N 302.312 -0.261 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cncn1C 1267399159 PJRVNSRRQNYRCI-UHFFFAOYSA-N 321.341 -0.076 5 10 DBBE COC[C@H](NC(=O)Cn1c([N+](=O)[O-])cnc1C)C(=O)OC 1295582281 IVARRPLTJANRPH-QMMMGPOBSA-N 300.271 -0.596 5 10 DBBE CCc1nn(C)c(NC[C@@]2(O)CCS(=O)(=O)C2)c1[N+](=O)[O-] 1307119360 BSYUBGWXDSYRIV-NSHDSACASA-N 318.355 -0.148 5 10 DBBE CN(C)C(=O)CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1316914042 DZOJRFLCLJKEBM-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@H]1O 1331554236 FQZMRFFCMCKYIJ-VXNVDRBHSA-N 304.328 -0.280 5 10 DBBE O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1[C@H](CO)CC[C@H]1CO 1452459937 HUEMHJCTQXTMLK-AVGNSLFASA-N 310.306 -0.028 5 10 DBBE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1470604119 ORGBCVBYTOFZLD-KYXWUPHJSA-N 315.326 -0.252 5 10 DBBE CC(C)CNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1499664107 AVIMPXCHHDANTQ-VXGBXAGGSA-N 312.370 -0.434 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CNC2(CO)CCSCC2)c1 1559900445 LXDPYEOAXOYJBI-NSHDSACASA-N 316.383 0.000 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCS(C)(=O)=O 1597272970 FWWZMZKGYBFNOI-UHFFFAOYSA-N 304.328 -0.349 5 10 DBBE CN(CCCNCC(=O)N(C)C1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1699506116 FISGOSGPMOFINP-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE COc1cncc(CNCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1714703564 ITTJZUDTIZDXOX-GHMZBOCLSA-N 309.326 -0.302 5 10 DBBE Cn1cc(C(=O)N2CC(Cn3ccnn3)C2)cc([N+](=O)[O-])c1=O 1891196465 SRJWOTQEZSVWSY-UHFFFAOYSA-N 318.293 -0.343 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1COC[C@H]1CO 2146505675 RHVHWPOKAVBAML-RKDXNWHRSA-N 302.308 -0.120 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@H](CO)[C@H](C)O)cc1[N+](=O)[O-] 2174116340 MYVFJZBUSFPQKY-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE NNc1sc(S(=O)(=O)NC2[C@H]3COC[C@H]23)cc1[N+](=O)[O-] 2174659020 HROAYICTVZRSED-WHFBIAKZSA-N 320.352 -0.135 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CC2(C1)OC[C@@H](O)[C@@H]2O 2183639426 SFSAXFMTJSZUPT-RQJHMYQMSA-N 302.674 -0.651 5 10 DBBE C[C@H]1CN(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)CCN1 2202442734 LSOGNUIZNWUJCD-QMMMGPOBSA-N 301.328 -0.060 5 10 DBBE O=C(C1CC1)[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1 338207859 VSWMKJDLNSANED-SECBINFHSA-N 309.282 -0.607 5 10 DBBE CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 600711543 RZMHRXGUNJEIJK-UHFFFAOYSA-N 317.327 -0.857 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)O 691718360 VMINBBPBOQALHO-ZETCQYMHSA-N 307.259 -0.113 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](CCO)C1CCOCC1 1116623689 RURONUQXYVXZSF-JTQLQIEISA-N 313.314 -0.520 5 10 DBBE CN1CCN(C(=O)CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1144294462 WAHNIVVUAUGFQY-UHFFFAOYSA-N 310.314 -0.788 5 10 DBBE O=C(CCc1ccncn1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1293306826 IDCCSEONWMUOAK-VXGBXAGGSA-N 321.337 -0.303 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n1 1462223260 PNDWYFQJPORGFE-OCAPTIKFSA-N 321.293 -0.502 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cc[nH]n1 1523873091 KJJPBAKMBLOTPR-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE CCNC(=O)CC(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1567790614 WDSSMQCMHHSUOR-UHFFFAOYSA-N 324.341 -0.845 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](O)CS(C)(=O)=O 1613008652 DBZAOLGRNBURGW-QMMMGPOBSA-N 306.344 -0.063 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC(C)(CO)CO 1624302140 WVPGPQYAMAGUOG-UHFFFAOYSA-N 300.315 -0.451 5 10 DBBE O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCN1C(=O)CNC1=O 1627593575 GBPOPKADHJMUPA-UHFFFAOYSA-N 324.268 -0.056 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(N[C@H]2CCOC2)C1 1652690391 FFTJQABTSITAPA-JTQLQIEISA-N 322.321 -0.654 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc[n+]([O-])cc1 1759630082 FIJJZKOPWMKKOH-NUYITTKVSA-N 320.305 -0.613 5 10 DBBE C[C@]1(NS(=O)(=O)c2cncc([N+](=O)[O-])c2)CCNC1=O 1965770486 KTDPPGPRKAFHDJ-JTQLQIEISA-N 300.296 -0.453 5 10 DBBE NCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)o1 2203633538 ZRSPVVASAIBHPA-UHFFFAOYSA-N 300.256 -0.368 5 10 DBBE O=Cc1cc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c([N+](=O)[O-])s1 2289402522 IEGSUQVSVBCMKD-UASFKTIASA-N 302.308 -0.381 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2289413787 RKKGMEIPKLCFEF-BYULHYEWSA-N 302.308 -0.558 5 10 DBBE CCNS(=O)(=O)CCNc1ncnc(OC)c1[N+](=O)[O-] 231006389 KUNBGLSJBJAGPX-UHFFFAOYSA-N 305.316 -0.255 5 10 DBBE COc1cc(C(=O)N2CC[C@](O)(C(N)=O)C2)cc([N+](=O)[O-])c1C 286385508 CLUSBRLPHJAYMS-CQSZACIVSA-N 323.305 -0.026 5 10 DBBE COC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 356935062 NWMRNYBSMZVMJV-UHFFFAOYSA-N 324.293 -0.374 5 10 DBBE O=C(C1CC1)[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 548390473 DCCKCMLBSHYEJQ-JTQLQIEISA-N 308.294 -0.002 5 10 DBBE CCN1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1=O 582999583 SSBZAFLEEMARGK-UHFFFAOYSA-N 300.296 -0.200 5 10 DBBE CN(C(C)(C)C(N)=O)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594777187 VLZYILSKLPJARP-UHFFFAOYSA-N 302.312 -0.126 5 10 DBBE C[C@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[S@@](C)=O 599261677 WWHPDQRYDAADGK-QOLSBQFWSA-N 324.384 -0.236 5 10 DBBE CN(C)C(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 610768994 BZGUFGOVRQJXCX-UHFFFAOYSA-N 321.337 -0.164 5 10 DBBE CCN(C)S(=O)(=O)NC(=O)c1nn(CC)cc1[N+](=O)[O-] 755804748 SGEBUXAWQMDKNO-UHFFFAOYSA-N 305.316 -0.263 5 10 DBBE CCOC(=O)C1CCN(C(=O)Cn2ncc([N+](=O)[O-])n2)CC1 863375365 PDLWLIDKXYVUOD-UHFFFAOYSA-N 311.298 -0.012 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1 1157293560 MSGHBFSNYRXLME-GDPRMGEGSA-N 311.294 -0.853 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCOC[C@@H]1CCO 1180161258 VNVTUXYEJCADID-JTQLQIEISA-N 311.294 -0.634 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1csnn1 1284611901 LIHUICYRWYAROX-VXNVDRBHSA-N 313.339 -0.218 5 10 DBBE CN(CCNC(=O)Cc1cncs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296116130 QCHOWTWUPDRKLU-NXEZZACHSA-N 312.351 -0.075 5 10 DBBE O=C(Cc1ccon1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357683852 WNJLBKPBGUQBAJ-JLVKAVFRSA-N 308.294 -0.329 5 10 DBBE CN1CCO[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1=O 1443520258 QMJLEPNTGIPZJM-LBPRGKRZSA-N 323.305 -0.053 5 10 DBBE O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 1449698472 RDXCLFXLSBQHFU-LBPRGKRZSA-N 314.319 -0.126 5 10 DBBE Cn1ccc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1533490925 DTNRRBHMDHNSKV-NWRGJWMSSA-N 307.310 -0.513 5 10 DBBE CC(C)(CCC(=O)NCCN1CCS(=O)(=O)CC1)[N+](=O)[O-] 1626873749 ZBOCHNSYHOUZMC-UHFFFAOYSA-N 321.399 -0.332 5 10 DBBE COC[C@@H](O)CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1648558891 NMYQVDCQJSMCPY-JTQLQIEISA-N 321.293 -0.087 5 10 DBBE CC(C)NC(=O)NCCN(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1663180671 ONWZHHOCTMEALT-GHMZBOCLSA-N 315.374 -0.593 5 10 DBBE CN(CC(N)=O)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1672925270 WCNXWRGMQVBTOE-CHWSQXEVSA-N 320.349 -0.115 5 10 DBBE COC(=O)[C@H](CO)NC(=O)C(=O)Cc1ccccc1[N+](=O)[O-] 1866062597 ZGUOFGBYBQRJGD-VIFPVBQESA-N 310.262 -0.644 5 10 DBBE CCc1nn(C)c(OC[C@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 2146201965 DDJVIMNAOBYJCA-SSDOTTSWSA-N 304.328 -0.039 5 10 DBBE NNc1cccc(S(=O)(=O)N2CC(CO)C2)c1[N+](=O)[O-] 2148958678 PVAYZKDIEXTUOX-UHFFFAOYSA-N 302.312 -0.507 5 10 DBBE N[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2149988254 MYSJUGIIBZIVHK-RKDXNWHRSA-N 305.287 -0.262 5 10 DBBE N[C@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2154387291 ATDPKBXBTUYEAQ-IIYDVTGLSA-N 320.352 -0.123 5 10 DBBE NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2181125595 PDORXHISTRCIQN-HTQZYQBOSA-N 302.312 -0.928 5 10 DBBE O=[N+]([O-])c1cncnc1OCC[C@@H]1CNCCS1(=O)=O 2235291945 CFZSZZYYOAQZMD-MRVPVSSYSA-N 302.312 -0.460 5 10 DBBE CS(=O)(=O)NC1CN(Cc2cccc(N)c2[N+](=O)[O-])C1 2236862024 ZTUIGFSWNSUOFM-UHFFFAOYSA-N 300.340 -0.090 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=N[C@H](C)CS(C)(=O)=O)[nH]1 2286629703 DWYWZQUUBBHAJW-SSDOTTSWSA-N 304.328 -0.202 5 10 DBBE C[C@@H]1Oc2ccc([N+](=O)[O-])nc2N(CCC(=O)NCCN)C1=O 75259510 DCPSKROZAILLAD-QMMMGPOBSA-N 323.309 -0.431 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](N)[C@@H](C)O 80749050 UWVYPZQJEDRUAD-APPZFPTMSA-N 319.339 -0.410 5 10 DBBE C[C@@H]1CN(CCO)CCN1C(=O)N=c1cc[nH]cc1[N+](=O)[O-] 455032907 KLJBZABIUSACOK-SNVBAGLBSA-N 309.326 -0.058 5 10 DBBE NS(=O)(=O)NC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 599176806 ZGICBSKHGCWOKT-UHFFFAOYSA-N 301.328 -0.248 5 10 DBBE CN1CCC[C@@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599223498 MLXAEPKTHBWEMM-MRVPVSSYSA-N 303.344 -0.299 5 10 DBBE CCOC(=O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599249652 YUTCWHXCAANVSX-UHFFFAOYSA-N 306.300 -0.440 5 10 DBBE CN(CC(C)(C)CO)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599321295 XLFFMMNBJSOXIL-UHFFFAOYSA-N 306.344 -0.033 5 10 DBBE O=C(O)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1 725373390 JBDLHBVBWPCVJV-XCBNKYQSSA-N 315.307 -0.312 5 10 DBBE O=C(N[C@@H]1C[C@H](O)[C@H](O)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 1155985533 WFEKLUOWTFQEOZ-LETLQTKMSA-N 310.262 -0.063 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@H]1CCCN2CCO 1158509600 XHAVOOLPMFULMG-CHWSQXEVSA-N 323.353 -0.151 5 10 DBBE COC(=O)C[C@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CCOC1 1320272836 YZQGLDFXQWOKCE-LLVKDONJSA-N 313.270 -0.975 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@H]2CCCOC2)n1 1329034040 QACQCNCFJHXVPE-ZETCQYMHSA-N 318.311 -0.440 5 10 DBBE CCn1nncc1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1687456870 SXHKEBQTJUEQPB-NXEZZACHSA-N 324.341 -0.459 5 10 DBBE Cc1cc(CCC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 1742403531 DTIZCSZFJRIJBH-GHMZBOCLSA-N 310.310 -0.187 5 10 DBBE CN(CC(=O)O)S(=O)(=O)NCc1ccccc1[N+](=O)[O-] 1968574068 CTNRQSYSWVYDAO-UHFFFAOYSA-N 303.296 -0.054 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@@H](C)CS(N)(=O)=O)c1[N+](=O)[O-] 2096636335 GWGVIMMISVQGLL-BYPYZUCNSA-N 309.735 -0.143 5 10 DBBE C[C@@]1(O)CON(S(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 2149820948 VUIJFFJHEYTSDR-JTQLQIEISA-N 303.296 -0.136 5 10 DBBE N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2154387940 HZHKMIGWZZMPLO-XJZHNMMOSA-N 320.352 -0.123 5 10 DBBE C[C@@H]1[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 2182524002 QTIIVWAOYOITPK-HZGVNTEJSA-N 302.312 -0.366 5 10 DBBE O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1NC[C@@H](O)[C@H]1O 2357926651 MDQQJMLWNFZFET-KXUCPTDWSA-N 301.686 -0.120 5 10 DBBE CN(Nc1ncc([N+](=O)[O-])c(=N)[nH]1)S(=O)(=O)C1CCC1 2365265787 SERUBPIWTZRERD-UHFFFAOYSA-N 302.316 -0.062 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@H](Cn2cccn2)C1 171883762 DZMOXNZORULXSL-GFCCVEGCSA-N 320.309 -0.085 5 10 DBBE Cc1cccc(S(=O)(=O)CCS(N)(=O)=O)c1[N+](=O)[O-] 235799798 PRABAZHIFGAZMD-UHFFFAOYSA-N 308.337 -0.035 5 10 DBBE O=C1[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCCN1CCO 337875832 QMCJBXSSHBRNIB-VIFPVBQESA-N 320.309 0.033 5 10 DBBE COC[C@@]1(C(=O)O)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 591652548 KVJDOVYDWIUXQK-GFCCVEGCSA-N 312.282 -0.117 5 10 DBBE CCN1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1=O 594767335 DUNSTOARLBVQRG-UHFFFAOYSA-N 314.323 -0.157 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H](O)C23CCC3)n1 599347049 QUQCUWNIRXVDTP-IUCAKERBSA-N 316.339 -0.090 5 10 DBBE COCCS(=O)(=O)CC(=O)Nc1c([N+](=O)[O-])ncn1C 1128880412 JAKXMMVYLXBVHH-UHFFFAOYSA-N 306.300 -0.672 5 10 DBBE C[C@H]1CS(=O)(=O)CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 1439567922 LDDOFMHYYNGTEN-VIFPVBQESA-N 316.339 -0.173 5 10 DBBE CN(C)C[C@@]1(O)CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)C1 1587976024 VTWFSXULPVDKBG-ZDUSSCGKSA-N 310.310 -0.166 5 10 DBBE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnnn1C 1717207152 YPYFVYQXEWPLFN-NXEZZACHSA-N 311.346 -0.844 5 10 DBBE NC1CCS(=O)(=NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1916502792 PGFMNFZGXZADNM-UHFFFAOYSA-N 301.328 -0.093 5 10 DBBE CS(=O)(=O)C1CN(C(=O)c2cc([N+](=O)[O-])ncc2N)C1 2152287071 VEPFCPKBRREAFM-UHFFFAOYSA-N 300.296 -0.559 5 10 DBBE C[S@](=O)CCCCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 2166656117 CFYWWJWGOCPCMQ-YBTHPKLGSA-N 304.372 -0.100 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)CC2CC(=O)C2)n1 2240635407 FNFCSIJCLRIXEM-UHFFFAOYSA-N 302.312 -0.273 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(NCC2(O)CS(=O)(=O)C2)[nH]1 2283074826 ZULXRMHULLVUOR-UHFFFAOYSA-N 302.312 -0.975 5 10 DBBE Cc1nn(C[C@@H](O)CNCC[S@](C)=O)c(C)c1[N+](=O)[O-] 158075268 CYECAFZMYRWEBL-WVDJIFEKSA-N 304.372 -0.263 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)N(C)C 593580172 COMKJTONHPSAOL-ZETCQYMHSA-N 302.312 -0.255 5 10 DBBE N[C@H]1COCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 725372947 DIGWLGXPZKKPQP-SECBINFHSA-N 301.324 -0.057 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC2(CC1)CC(=O)N2 1142754615 KDGPDVYZQXMWGN-UHFFFAOYSA-N 307.310 -0.019 5 10 DBBE Cn1cc(CN2CCC(S(N)(=O)=O)CC2)c([N+](=O)[O-])n1 1168837939 KDAPNXVVPKDNRN-UHFFFAOYSA-N 303.344 -0.419 5 10 DBBE CCN(CC)S(=O)(=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1254366106 BOTSNPNDVBPYQL-UHFFFAOYSA-N 305.316 -0.355 5 10 DBBE CCN(CCNC(=O)c1cnn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1284631361 KTVMIKCYJHFYLX-PSASIEDQSA-N 310.314 -0.941 5 10 DBBE Cn1nncc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 1482217829 COYMTKAETQSEAG-VXGBXAGGSA-N 322.369 -0.001 5 10 DBBE O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1csc2cncn12 1522626756 ITHVGTIBHAYKLE-HTQZYQBOSA-N 323.334 -0.093 5 10 DBBE O=C(NCC12COCCN1CCOC2)c1n[nH]cc1[N+](=O)[O-] 1648022076 KQCLKKVBNATRBW-UHFFFAOYSA-N 311.298 -0.851 5 10 DBBE CCn1ncnc1CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1686989584 OHZKNOOLYBSVFV-GHMZBOCLSA-N 308.342 -0.393 5 10 DBBE O=C1CN(C2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)CCN1 1891017284 FOJMIJCHRAIVPG-UHFFFAOYSA-N 322.296 -0.010 5 10 DBBE O=[N+]([O-])c1cnc(NCC(O)(CO)CO)c(Br)c1 1913800827 RUEHJVMPNVMYKM-UHFFFAOYSA-N 322.115 -0.120 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2ccc(F)c([N+](=O)[O-])c2)C1 1914979654 FDVVKPLZQNENRU-UHFFFAOYSA-N 303.271 -0.153 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](O)[C@H](F)C1 2149266891 SYVVSHIBPGUNAP-APPZFPTMSA-N 305.287 -0.120 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@@H](F)[C@@H](CO)C2)c1 2177138190 KSLUYDUYMUZAOZ-GMSGAONNSA-N 305.287 -0.059 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]2[C@H](O)CO)cc1 2286210815 MWCOGJXQMHWUQW-GHMZBOCLSA-N 302.308 -0.289 5 10 DBBE C[C@@H](O)CN(C)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 51840043 UKFPCWIVYNPLOA-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE COc1ccc(S(=O)(=O)NOCC(=O)O)c([N+](=O)[O-])c1 70186152 FAOOWWCEZQXCFH-UHFFFAOYSA-N 306.252 -0.102 5 10 DBBE NC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cn1cnc([N+](=O)[O-])n1 357376082 PRVRWGJDWAMYBB-JTQLQIEISA-N 316.277 -0.371 5 10 DBBE C[C@](O)(CO)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] 567877347 NJCQMZZZLJGBLY-ZWNOBZJWSA-N 300.311 -0.333 5 10 DBBE CN(C)CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1=O 593234896 OJABLEMZSWXXPA-UHFFFAOYSA-N 324.341 -0.976 5 10 DBBE C[C@@H](Cn1cncn1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599232162 JITWYLHAWNONTJ-ZETCQYMHSA-N 315.315 -0.713 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(C)OCCCO2)n1 859130896 KSSBIZDHDZVGBL-UHFFFAOYSA-N 320.327 -0.240 5 10 DBBE NC(=O)C1(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCCC1 1136814474 FPKQWEZPGIWEGN-UHFFFAOYSA-N 308.294 -0.329 5 10 DBBE CNC(=O)NCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 1142850929 ZYTZIOWECFXGBJ-UHFFFAOYSA-N 320.309 -0.010 5 10 DBBE CC1=NNC(=O)[C@@H]1CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C 1306538550 GLBVERBGAZZZKS-MRVPVSSYSA-N 308.298 -0.121 5 10 DBBE CC(C)CNC(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331338355 BEYHCPMEIUKECW-UHFFFAOYSA-N 319.343 -0.621 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](O)C3(CC3)C2)n1 1348137257 ZAHMDMWKUHQFCX-MRVPVSSYSA-N 302.312 -0.526 5 10 DBBE CCN(C(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 1483732558 JQAMTGONGIHFNZ-VXGBXAGGSA-N 324.381 -0.099 5 10 DBBE Cn1cc(C[C@H](CO)NC(=O)CCn2cc([N+](=O)[O-])cn2)cn1 1626893394 BGZLQPQJTFEZIQ-LLVKDONJSA-N 322.325 -0.365 5 10 DBBE C[C@H]1CN(CCO)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 1629797936 BWXPABXGGKJKNR-VIFPVBQESA-N 309.326 -0.289 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CC2(C[C@H](O)CNC2=O)C1 1634491295 BRPSKHUGQYOWJY-QMMMGPOBSA-N 311.319 -0.021 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NN1C(=O)[C@@H](C)N(C)C1=O 1641849458 MIMNRNSZNOEQKL-ZCFIWIBFSA-N 310.270 -0.587 5 10 DBBE O=C(CN1C[C@H]2C(=O)NC(=O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] 1643161335 KHGRCAZHMQXVOG-DTORHVGOSA-N 318.289 -0.262 5 10 DBBE CC(C)[C@H](C(=O)OCC[N+](C)(C)C)N1CCS(=O)(=O)CC1 1852600563 RKXQPWLWNRYNNQ-CYBMUJFWSA-N 321.463 -0.009 5 10 DBBE Nc1cccc(C(=O)N2CC(S(N)(=O)=O)C2)c1[N+](=O)[O-] 1914992084 YKLVGSYTQDXLEF-UHFFFAOYSA-N 300.296 -0.710 5 10 DBBE Cc1cc(S(=O)(=O)N[C@H](CN)CO)cc([N+](=O)[O-])c1C 2182586601 WFBUWZXLKYRXQF-SECBINFHSA-N 303.340 -0.190 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2([C@H](O)CO)CC2)cc1 2190120072 UGASCKSXVOGRNE-SNVBAGLBSA-N 302.308 -0.241 5 10 DBBE N[C@@H](CS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)O 2195335651 JGRUQIVAGFSYEI-JTQLQIEISA-N 302.308 -0.036 5 10 DBBE O=C(O)[C@@H](Nc1cncc([N+](=O)[O-])c1)C1CS(=O)(=O)C1 2197523662 GACMKXIEXGABHU-VIFPVBQESA-N 301.280 -0.101 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@](O)(CO)[C@@H](O)C1 2234105023 KUNFLPQWEAGCPL-GZMMTYOYSA-N 302.308 -0.414 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)CC2CC(O)C2)n1 2240655764 BSUANRVCBYACOX-UHFFFAOYSA-N 304.328 -0.481 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 125584885 RDXDRJJYKHHJRH-YFKPBYRVSA-N 320.352 -0.253 5 10 DBBE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] 592874029 QLWNOZHNKMUSQB-QMMMGPOBSA-N 310.314 -0.490 5 10 DBBE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 592881629 UTTFKTZMYRUNKN-SNVBAGLBSA-N 324.341 -0.630 5 10 DBBE C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599244281 YYXNGDWHKVAYPV-SSDOTTSWSA-N 317.327 -0.773 5 10 DBBE COCC1(C)CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599292490 IVXUGQIAUZBAQN-UHFFFAOYSA-N 304.328 -0.015 5 10 DBBE C[C@@H](C[S@@](C)=O)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1138185315 FNQHAAXAILLHNN-FFVOIRBGSA-N 301.324 -0.360 5 10 DBBE O=[N+]([O-])c1cnc(N2CCO[C@@]3(CCS(=O)(=O)C3)C2)nc1 1329251471 BWTXAYGUQHCHFS-NSHDSACASA-N 314.323 -0.221 5 10 DBBE CN1CC(N2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)C1 1522086878 JSLQQEGKAFYAQC-UHFFFAOYSA-N 308.342 -0.600 5 10 DBBE CCS(=O)(=O)N(C)CC(=O)Nc1c([N+](=O)[O-])cnn1C 1539281282 AEYPJRFNEFNGIN-UHFFFAOYSA-N 305.316 -0.452 5 10 DBBE COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1cn(C)nc1[N+](=O)[O-] 1648535636 WAPPAWSZDPPPCH-VIFPVBQESA-N 311.298 -0.856 5 10 DBBE Cc1nc[nH]c1CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1687462552 WDSRTCQFRZWADL-ZYHUDNBSSA-N 323.353 -0.109 5 10 DBBE Cc1cnc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1720217855 PEDJVYKHLHDNEJ-MWLCHTKSSA-N 307.310 -0.314 5 10 DBBE NCCNC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1859458096 RSZDTYZXQAAWHW-UHFFFAOYSA-N 306.278 -0.344 5 10 DBBE Cn1cc(C(=O)NCCN2CCOCC2)cc([N+](=O)[O-])c1=O 1889576159 INSHMGAMGVNCSW-UHFFFAOYSA-N 310.310 -0.645 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2COC[C@H]2CO)c1 2146504401 LTYJGVYKSQMZIZ-LDYMZIIASA-N 302.308 -0.120 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1CCN1CCCC1 2156806219 GIHVEGAJUIRWCW-UHFFFAOYSA-N 303.344 -0.157 5 10 DBBE O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1NC[C@H](O)[C@H]1O 2201147598 BJZARKIKZFYIBG-FXBDTBDDSA-N 301.686 -0.120 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1N=c1ccc(N)c([N+](=O)[O-])[nH]1 2207470267 LDEVFZVVJNXVAP-HTQZYQBOSA-N 302.312 -0.782 5 10 DBBE CS(=O)(=O)N1CC(Nc2ccc([N+](=O)[O-])c(NN)c2)C1 2234446175 BKKVVJGYPMIJQT-UHFFFAOYSA-N 301.328 -0.064 5 10 DBBE C[C@H](N)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCO1 156452718 OMPVXXXGPBKLJB-WPRPVWTQSA-N 316.339 -0.274 5 10 DBBE COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@](O)(C(N)=O)C1 319402136 ZLDMKNDNLSIADZ-CYBMUJFWSA-N 309.278 -0.334 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1COC[C@H]1O 323126716 OABOBYUJQJQVHT-WCBMZHEXSA-N 302.308 -0.059 5 10 DBBE CNC(=O)[C@H](CO)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 358898144 ZJMHVKHWDYXENX-JTQLQIEISA-N 317.323 -0.879 5 10 DBBE CNC(=O)C[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599321234 JDHNLEMOUQJVKV-ZCFIWIBFSA-N 305.316 -0.869 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC[C@H]1C(F)(F)F 610047676 LLVZIKJNGUGWPN-LURJTMIESA-N 309.204 -0.024 5 10 DBBE Cn1cc(CN2CCC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])n1 1307616953 DFPUBETXHSABHG-VIFPVBQESA-N 303.344 -0.419 5 10 DBBE O=C(NCC1(NCCN2C(=O)CCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1499221910 WFFWQERNWCLXAL-NXEZZACHSA-N 324.337 -0.961 5 10 DBBE COCCOC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1526060272 SPTOVAZQGLISKD-GHMZBOCLSA-N 302.327 -0.020 5 10 DBBE C[C@@H]1OCC[C@@]1(O)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1618088638 AVLLRDRBALRSRN-TVQRCGJNSA-N 311.294 -0.587 5 10 DBBE Cc1cc(N2CCN3[C@@H](CNS3(=O)=O)C2)ncc1[N+](=O)[O-] 1643223081 IKXGAPHJMZRIBP-VIFPVBQESA-N 313.339 -0.363 5 10 DBBE CN(CCNC(=O)Cn1ncnn1)c1ncccc1[N+](=O)[O-] 1688342347 YPQOUXDBDALQHN-UHFFFAOYSA-N 306.286 -0.771 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])C(=O)N1C[C@@H](O)C[C@@H]1C(=O)O 1866349459 WLQQSLRUMLWZOJ-GXSJLCMTSA-N 322.273 -0.247 5 10 DBBE NS(=O)(=O)C[C@@H]1CCCN1c1ncnc(F)c1[N+](=O)[O-] 2146413598 XIPQTIBMVYXARM-LURJTMIESA-N 305.291 -0.219 5 10 DBBE O=[N+]([O-])c1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)c(F)c1 2176896954 FYPXBUPQQPRPJG-MNOVXSKESA-N 304.299 -0.019 5 10 DBBE NNc1ccc([N+](=O)[O-])c(N2CC(CS(N)(=O)=O)C2)c1 2206801765 KEAROVBJOOIFGC-UHFFFAOYSA-N 301.328 -0.395 5 10 DBBE CCc1ncc([N+](=O)[O-])c(=NC[C@@H]2CCS(=O)(=O)N2)[nH]1 2286664765 UYADTKKPCUWNHT-ZETCQYMHSA-N 301.328 -0.527 5 10 DBBE CN(C(=O)CN1C[C@@H](O)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 179185429 WAUDOTAITZGQDH-OLZOCXBDSA-N 309.322 -0.015 5 10 DBBE NC(=O)COCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 230099838 XRPVEGNLEIEJBE-UHFFFAOYSA-N 324.340 -0.981 5 10 DBBE Cn1nccc1[C@@H]1NC(=O)N(CCn2cc([N+](=O)[O-])cn2)C1=O 348354535 AVDCHEINMQMXEC-JTQLQIEISA-N 319.281 -0.182 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(NCCc2nnnn2C)n1 588011801 QUBSGYJGWMBSED-UHFFFAOYSA-N 307.270 -0.046 5 10 DBBE CCNC(=O)N1CCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)CC1 755231666 RSYPLJHHQCVJMO-UHFFFAOYSA-N 324.341 -0.027 5 10 DBBE CC[C@@H]1C(=O)NCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1156504298 KUWHYSJOWSZIJH-SNVBAGLBSA-N 322.321 -0.116 5 10 DBBE COc1cccc(C(=O)NC[C@H](O)Cn2ccnn2)c1[N+](=O)[O-] 1161187802 DKBPDDIXHOEMGN-VIFPVBQESA-N 321.293 -0.014 5 10 DBBE CN(C[C@@H](O)c1cccnc1)C(=O)Cn1cnc([N+](=O)[O-])n1 1180217387 OHSYMFQREHHNGM-SNVBAGLBSA-N 306.282 -0.227 5 10 DBBE C[C@@H]1[C@@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C(=O)N1C 1277407370 XJXXLOIXEYEXIX-IWSPIJDZSA-N 310.314 -0.348 5 10 DBBE COC(=O)[C@@H](F)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1462759146 PRJBPQHLYUZUCW-QMMMGPOBSA-N 301.230 -0.616 5 10 DBBE Cc1cnn(CC(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1501052308 OGEPIOGVZUCJKT-VXGBXAGGSA-N 323.353 -0.226 5 10 DBBE CN1CCC(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1583311531 URIMEUXDXZSBML-XCUNLHGCSA-N 324.381 -0.218 5 10 DBBE N[C@H]1COCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1615977023 GPLGNQGLXIGDHD-WDEREUQCSA-N 301.324 -0.011 5 10 DBBE CN1CCN(CC2CN(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)CC1 1628387872 UXMIWRCGRIWCTD-UHFFFAOYSA-N 322.369 -0.352 5 10 DBBE Cc1[nH]nc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)c1[N+](=O)[O-] 1629876000 WFTXCXGMLAZQFQ-VIFPVBQESA-N 321.297 -0.241 5 10 DBBE CCOC(=O)[C@@](C)(O)CNC(=O)Cn1c([N+](=O)[O-])cnc1C 1638086617 HFWVAZMUHMZGHQ-LBPRGKRZSA-N 314.298 -0.470 5 10 DBBE O=C1[C@H](N2C[C@@H](O)[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 1646100844 GUYKJRYNUPICDJ-ZLKJLUDKSA-N 321.333 -0.015 5 10 DBBE COC(=O)[C@@H](O)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1649034869 RYOVZGKLYQJDFT-QWRGUYRKSA-N 312.278 -0.332 5 10 DBBE CCN(C(=O)Cn1ccnc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1656812319 FYUVDQPBNOZFRP-SECBINFHSA-N 316.339 -0.173 5 10 DBBE COc1cccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1742858430 IXYCBGYDVWFQFA-MWLCHTKSSA-N 322.321 -0.009 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCOCC1 1747743324 MAGNXUPDKUADOV-GHMZBOCLSA-N 311.338 -0.157 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N(CCO)C1COC1 1915690914 ZGAQEOCFPSZMKP-UHFFFAOYSA-N 302.308 -0.023 5 10 DBBE NC1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])COC1 2151403062 QQGQAYQKKGKJOS-UHFFFAOYSA-N 302.312 -0.618 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(NCCCNS(N)(=O)=O)[nH]1 2157547656 QKHOROJVTDGRKF-UHFFFAOYSA-N 304.332 -0.952 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 2165862873 FERBGKKKPRIHLH-SSDOTTSWSA-N 301.328 -0.300 5 10 DBBE Cc1nc(NN)nc(N2CC[S@@](=O)[C@@H](C)C2)c1[N+](=O)[O-] 2171983208 XXPQRPUUAHYYAD-SXPOAWKSSA-N 300.344 -0.064 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@@H]2CS(=O)(=O)C[C@@H]2O)c1[N+](=O)[O-] 2177956697 UTDXJVOAEHWMRJ-RITPCOANSA-N 322.730 -0.662 5 10 DBBE O=[N+]([O-])c1c(Cl)nc[nH]c1=NCC(F)(F)C1(O)CNC1 2288484269 QYXULXCSBOHGQH-UHFFFAOYSA-N 309.660 -0.158 5 10 DBBE Cc1[nH]c(=N)nc(NN(C)S(=O)(=O)C2CC2)c1[N+](=O)[O-] 2365265099 OWPUEVIABCOHAD-UHFFFAOYSA-N 302.316 -0.143 5 10 DBBE NS(=O)(=O)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 40385688 SRZNDLBFWXSHFM-UHFFFAOYSA-N 323.352 -0.448 5 10 DBBE CNc1nccc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)c1[N+](=O)[O-] 563393574 WOMQXSYZMQEWHT-QMMMGPOBSA-N 307.310 0.334 5 10 DBBE CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 809838130 QJXQKYGSTMFVCP-YFKPBYRVSA-N 309.325 -0.959 5 10 DBBE CC[C@]1(C)NC(=O)N(NC(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 1321205285 XVQQGTSRCRAQJE-NSHDSACASA-N 310.270 -0.306 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@@H]2c2ncno2)c1 1327347559 SZLLSLZATPYGFY-GHMZBOCLSA-N 324.297 -0.391 5 10 DBBE CSCC[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(N)=O 1437767440 YTXJGVCUSJKZQG-LURJTMIESA-N 301.328 -0.335 5 10 DBBE C[C@@H]1CS(=O)(=O)CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 1439567920 LDDOFMHYYNGTEN-SECBINFHSA-N 316.339 -0.173 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1468026746 JBXCKFMUCWWUAI-UHFFFAOYSA-N 302.312 -0.563 5 10 DBBE CN(CCCNC(=O)c1cccnn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1577306332 XGQUWJDEXHVJIA-MWLCHTKSSA-N 307.310 -0.280 5 10 DBBE O=C1CCCN1C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1629807437 JHUBLAMYVZHMPD-SNVBAGLBSA-N 322.325 -0.343 5 10 DBBE COCC(C)(C)C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703364333 QPTNNDLBOSGHDK-NXEZZACHSA-N 301.343 -0.053 5 10 DBBE COc1ccc(NC(=O)Cn2nnnc2C(=O)O)c([N+](=O)[O-])c1 1860739773 WPNRRCYABYFLDY-UHFFFAOYSA-N 322.237 -0.073 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NCC[C@H](O)CO 2182235175 NZCLCUZVVWDVGU-QMMMGPOBSA-N 308.287 -0.245 5 10 DBBE CO[C@@H]1CNC[C@H]1S(=O)(=O)Nc1ncccc1[N+](=O)[O-] 2202433282 FSMVTYXKMFCGPZ-RKDXNWHRSA-N 302.312 -0.282 5 10 DBBE CN(C)CCNS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 37929985 VMPWQOUQLRZIAY-UHFFFAOYSA-N 303.344 -0.280 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 49102095 CRDZUIMJWLWQOI-LURJTMIESA-N 317.327 -0.707 5 10 DBBE NCCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 262486635 ZYBQOEFOOOMGGN-UHFFFAOYSA-N 308.294 -0.215 5 10 DBBE COC[C@@](C)(CC(=O)OC)NC(=O)Cn1cnc([N+](=O)[O-])n1 487933937 WBUUPKQDSOHMJE-LLVKDONJSA-N 315.286 -0.729 5 10 DBBE CCOC[C@H](C(=O)OC)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 610942011 KLNIJDDUOKAJBI-MRVPVSSYSA-N 315.286 -0.777 5 10 DBBE Nc1ccnc(N2CCC[C@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] 707425264 WPMCKWFGBRXEDU-ZETCQYMHSA-N 301.328 -0.171 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cnn(C)c1 1285360825 SQRGXVFCFLJVLJ-VXGBXAGGSA-N 323.353 -0.455 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC(=O)N(CC2CC2)C1 1462434676 GZHFABBMVZODFV-SNVBAGLBSA-N 307.310 -0.082 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3c(nnn3C)C2)n1 1530464619 RVDDZFCAZLRZCV-ZETCQYMHSA-N 305.298 -0.256 5 10 DBBE Cc1cc([N+](=O)[O-])cn(Cc2nnc3c(=O)[nH]ccn23)c1=O 1643794333 CDDAFJRTXXOOJK-UHFFFAOYSA-N 302.250 -0.156 5 10 DBBE Cc1nc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)o1 1733500389 OYMAWHFQRCCWCJ-ZYHUDNBSSA-N 324.337 -0.380 5 10 DBBE NC(=O)CC[C@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O 1866090868 DSLYSMNPXOKRKV-ZETCQYMHSA-N 311.250 -0.251 5 10 DBBE N[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 2144799014 NGRWSRAOTPKIFV-SSDOTTSWSA-N 304.284 -0.930 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H](CO)CCCO)c1 2146565283 SYCMFQDALIXWOF-QMMMGPOBSA-N 305.312 -0.599 5 10 DBBE CS(=O)(=O)c1ccc(N2CCNNCC2)c([N+](=O)[O-])c1 2152175521 LAWDCMMZPNFLAK-UHFFFAOYSA-N 300.340 -0.088 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)c1cc([N+](=O)[O-])cnc1O 2152956854 HAWADEKMKYAVGX-RXMQYKEDSA-N 304.284 -0.898 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1cc(N)cc([N+](=O)[O-])c1 2192658497 LZBYNVRAWHGSNM-MNOVXSKESA-N 300.340 -0.026 5 10 DBBE O=[N+]([O-])c1c(Cl)nc[nH]c1=NCCS(=O)(=O)CCO 2335756604 HDOSHWXJZZSZMJ-UHFFFAOYSA-N 310.719 -0.721 5 10 DBBE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1c1ncc([N+](=O)[O-])cc1Cl 2357878294 QUIRFYJLSUAERM-BWZBUEFSSA-N 303.658 -0.362 5 10 DBBE CCNC(=O)COc1c(F)cc([N+](=O)[O-])cc1S(N)(=O)=O 215972901 HQSGNMWIDNBMMD-UHFFFAOYSA-N 321.286 -0.104 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN([C@@H]2CCC[C@H]2O)CC1 609285935 SWMCKUGLKYTDCI-GHMZBOCLSA-N 324.341 -0.756 5 10 DBBE CN(CC(=O)NCCc1nnnn1C)c1ccccc1[N+](=O)[O-] 611313529 PFFTVYPHPRBSGQ-UHFFFAOYSA-N 319.325 -0.087 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CNC[C@H]2O)cc1 699963269 UEHISYLOWGSJBG-WDEREUQCSA-N 301.324 -0.653 5 10 DBBE O=C1NC(=O)[C@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 1158803735 KWDRXNBDEJBVFT-OUAUKWLOSA-N 319.273 -0.641 5 10 DBBE CC1(NCCn2cncn2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1281489528 MHUPPRXKDSEEJL-VXGBXAGGSA-N 322.369 -0.086 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)n1 1584376510 UKXRXQSRDKASIC-VXNVDRBHSA-N 309.282 -0.942 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3nn(C)cc3[N+](=O)[O-])C[C@@H]2C1=O 1624457214 ZLODODMEHYUIAH-KNVOCYPGSA-N 307.266 -0.985 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC(O)(c3ccnn3C)C2)n1 1633017957 OZWSRTWQQCHCDE-UHFFFAOYSA-N 320.309 -0.112 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C[C@H](C)O)CC1 1634586838 FTWWIAAZEJOKEZ-JTQLQIEISA-N 311.342 -0.375 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](CO)[C@H](CCO)C2)c1 1655113003 LASPUSUCLQSYFZ-NTZNESFSSA-N 314.342 -0.925 5 10 DBBE CCn1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1758929238 LKRZQSSXOOTZNP-PSASIEDQSA-N 310.314 -0.849 5 10 DBBE Nc1ccc(S(=O)(=O)NCC2OCCO2)cc1[N+](=O)[O-] 2019432359 AADGGXUHJXRDJR-UHFFFAOYSA-N 303.296 -0.172 5 10 DBBE NC(=O)[C@H]1CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2145611396 AXCLLIVWEFIGEY-MRVPVSSYSA-N 303.271 -0.018 5 10 DBBE COC[C@@H](NC(=O)c1cc(Cl)ncc1[N+](=O)[O-])C(N)=O 2152374893 TUTGGHIOBLAPDA-ZCFIWIBFSA-N 302.674 -0.127 5 10 DBBE O=[N+]([O-])c1c(F)nc[nH]c1=NCC1[C@H]2CS(=O)(=O)C[C@H]12 2174707836 KUNHESIAWLWGDC-RNFRBKRXSA-N 302.287 -0.352 5 10 DBBE CO[C@@H]1C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 2188222934 SHTNBBUIMGNVBS-DTWKUNHWSA-N 302.312 -0.054 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC[C@@H](F)C2)cn1 2234655391 RZJOQRVKZRVHRJ-YUMQZZPRSA-N 304.303 -0.032 5 10 DBBE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1cc(CO)sc1[N+](=O)[O-] 2358551930 OULYZRGGSWEOBS-LPEHRKFASA-N 304.324 -0.295 5 10 DBBE CO[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)O 263059904 HLOWKIRVIPTNTE-MRVPVSSYSA-N 300.271 -0.258 5 10 DBBE O=C1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 276109034 LMPLHHHETRTUNP-UHFFFAOYSA-N 306.278 -0.118 5 10 DBBE CCS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])cnc1C 337713895 IXEJCPPQAFKXAN-UHFFFAOYSA-N 316.339 -0.033 5 10 DBBE CNC(=O)NC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 600230259 RJYXQJMGCBFKRJ-QMMMGPOBSA-N 311.298 -0.307 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N[C@@H]2CNC[C@H]2O)c1 699919150 POZLBGBRMNQKCA-RKDXNWHRSA-N 305.287 -0.655 5 10 DBBE COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 1597045814 BFXNOAPWMKPJKU-OPRDCNLKSA-N 323.309 -0.014 5 10 DBBE O=C1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C2(CN1)COC2 1611142685 RLKYIULPYJLWTR-UHFFFAOYSA-N 305.290 -0.135 5 10 DBBE COCCCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 1700199289 ILMCIBKFTDFJNI-VXGBXAGGSA-N 313.354 -0.399 5 10 DBBE Cc1ncc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C 1721705766 KSSJUQXSGZCWSP-GHMZBOCLSA-N 323.353 -0.076 5 10 DBBE O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cocn1 1726032380 IOQVQJGXPONACE-PSASIEDQSA-N 324.293 -0.967 5 10 DBBE Cc1cc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 1733500875 XKCSOPZSOQQSAC-GHMZBOCLSA-N 310.310 -0.689 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(NC[C@@H]2CCS(=O)(=O)N2)[nH]1 2146221721 WEWQLNWDFREMPX-ZETCQYMHSA-N 301.328 -0.443 5 10 DBBE NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2181124850 FWWXAKPCVLSOKT-RKDXNWHRSA-N 301.324 -0.323 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](O)[C@H](O)C2)cn1 2188682421 PUEWGKGAUBYKHP-DTWKUNHWSA-N 303.296 -0.894 5 10 DBBE Cc1nn(C)c(N[C@@H]2COC[C@@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2207480381 AEPQLNIXAPKAPP-SFYZADRCSA-N 304.328 -0.139 5 10 DBBE CNC(=O)[C@H]1CNCCN1c1nc2sccn2c1[N+](=O)[O-] 89088022 QJXWCWVWTVCHCX-SSDOTTSWSA-N 310.339 -0.172 5 10 DBBE COc1ccc([N+](=O)[O-])c(S(=O)(=O)CCS(N)(=O)=O)c1 134205731 SHWLPBQTCVWUOT-UHFFFAOYSA-N 324.336 -0.334 5 10 DBBE CS(=O)(=O)NCCCNc1cc([N+](=O)[O-])cc(NN)n1 230976166 FFTPSFNTVUMSDW-UHFFFAOYSA-N 304.332 -0.373 5 10 DBBE CC1(C)CN(C(=O)c2cc([N+](=O)[O-])[nH]n2)CCS1(=O)=O 285696203 OMJBBQKRJDIZIY-UHFFFAOYSA-N 302.312 -0.033 5 10 DBBE C[C@H]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CS1(=O)=O 598192058 KVTYTLHSWLGOKD-DTWKUNHWSA-N 316.339 -0.127 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@]3(N)C2)n1 599100754 MXVMNQFZYYKMEM-KWQFWETISA-N 315.355 -0.170 5 10 DBBE C[C@@H](O)[C@@H](O)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 717415828 PNHDQWXFZOKPEI-SVRRBLITSA-N 308.287 -0.246 5 10 DBBE O=C(O)[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 725372884 BEFZTAOWVRUDBK-HTQZYQBOSA-N 315.307 -0.454 5 10 DBBE O=C(COC(=O)[C@H]1CNC(=O)N1)Nc1ccccc1[N+](=O)[O-] 732360814 JBNHBGBXUMPBQG-MRVPVSSYSA-N 308.250 -0.242 5 10 DBBE O=C1NC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCN2C1=O 1185649616 MPUFPKLNDOYLMQ-MRVPVSSYSA-N 309.257 -0.724 5 10 DBBE COC(=O)c1cnc(N2CCN(C)[C@@H](CO)C2)c([N+](=O)[O-])c1 1187271178 IWAGAXKLIFSZRW-SNVBAGLBSA-N 310.310 -0.111 5 10 DBBE Cn1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1505940452 GRJYRURAFVRFME-NXEZZACHSA-N 307.310 -0.536 5 10 DBBE O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN2CCOC[C@]2(CO)C1 1635834212 WPIYSFFOAOOVGP-CYBMUJFWSA-N 310.310 -0.558 5 10 DBBE O=C1NC(=O)[C@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 1658728138 KOAUUYUKVXVPBQ-GRYCIOLGSA-N 305.290 -0.167 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2OCC(=O)N[C@@H]2C1 1658898375 MRSGWWCOQVPCOC-GHMZBOCLSA-N 309.326 -0.311 5 10 DBBE CN(C)c1noc(CN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1687475700 PRDUOELEDCIEPN-NXEZZACHSA-N 324.341 -0.555 5 10 DBBE N[C@H]1COC[C@@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1919732602 UJMUHMLBEDMHBR-CLTAVNFZSA-N 322.075 -0.914 5 10 DBBE Nc1cc(O[C@@H]2CS(=O)(=O)C[C@H]2N)c(F)cc1[N+](=O)[O-] 2184669845 UTKZOEYTVPKKHB-GMSGAONNSA-N 305.287 -0.181 5 10 DBBE NC(CO)(CO)CN=c1c(Br)c[nH]cc1[N+](=O)[O-] 2258281418 LVFVIBLBVLFBBQ-UHFFFAOYSA-N 321.131 -0.732 5 10 DBBE CN1CCO[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 284384267 GGVWEEZRSNOJNO-NEPJUHHUSA-N 309.326 -0.277 5 10 DBBE CN(C[C@H](O)CN)S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 312775589 GYZQILLUYHIDQN-SSDOTTSWSA-N 307.303 -0.326 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(C[C@H]2CCOC2)CC1 488835323 WUKDROMCCXMCAW-LLVKDONJSA-N 324.341 -0.633 5 10 DBBE CN(C)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593575701 NCSOGNUEPNEJNY-UHFFFAOYSA-N 318.355 -0.154 5 10 DBBE CO[C@]1(CO)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 595662161 NHWHNXAFZNNPKT-QWHCGFSZSA-N 314.342 -0.375 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncnc(F)c1[N+](=O)[O-] 701521934 NUWIEPKIRKAAOV-PHDIDXHHSA-N 306.275 -0.252 5 10 DBBE Cc1nn(C)c(C(=O)OCC(=O)c2cnn(C)n2)c1[N+](=O)[O-] 791775302 DGEPDJLIEJLLDH-UHFFFAOYSA-N 308.254 -0.195 5 10 DBBE CCO[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)CN(C)C 1133571569 HECMHTDDVXXXAI-SECBINFHSA-N 300.319 -0.731 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](O)Cn1ccnn1 1299097048 UWWYAVSJQSTFDK-NSHDSACASA-N 321.293 -0.258 5 10 DBBE CN1CCN(C(=O)CCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1542951792 DEWCLCAQJWMAMS-UHFFFAOYSA-N 324.341 -0.778 5 10 DBBE C[C@@](CO)(NCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 1620495114 GFNSJLVAQROBOU-LBPRGKRZSA-N 317.367 -0.059 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC(C)(C)C 1667566953 WPSXQUNJEKBYPH-GHMZBOCLSA-N 314.386 -0.044 5 10 DBBE C[C@@H](N=c1[nH]c(=N)[nH]cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 2146103142 LHLJGJRQQKNJNN-RNFRBKRXSA-N 301.328 -0.546 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CCOC[C@H]1[C@@H](O)CO 2146326532 OZPYNHQLBNNPJK-YUMQZZPRSA-N 302.308 -0.150 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1N 2179201475 IITFXJYDVVMJTP-WCBMZHEXSA-N 301.324 -0.059 5 10 DBBE N[C@@H](CS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)O 2195329052 WCTRWQZXWOZRMW-VIFPVBQESA-N 302.308 -0.036 5 10 DBBE COC[C@@](C)(Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1)OC 2198278407 ZRWBPPMFCCSULJ-SECBINFHSA-N 308.316 -0.510 5 10 DBBE O=[N+]([O-])c1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)c(CO)c1 2205292804 ULFHGUGKQUKFOQ-GHMZBOCLSA-N 302.308 -0.343 5 10 DBBE C[C@H](O)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 20545779 IVRFKAUYGBXKDI-IMTBSYHQSA-N 304.280 -0.293 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCS(=O)CC2)c([N+](=O)[O-])c1 50671275 GZVBANSFQIWIMX-UHFFFAOYSA-N 319.364 -0.070 5 10 DBBE Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](O)CO)cc1C 90281505 VIYXYLIFQCVQDU-VIFPVBQESA-N 304.324 -0.157 5 10 DBBE NC(=O)CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1=O 413427422 ZOKTZTFHXIPSOZ-UHFFFAOYSA-N 313.701 -0.223 5 10 DBBE COC[C@@](C)(O)CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 582296690 RHYZXJCUYVFMRD-RYUDHWBXSA-N 302.331 -0.471 5 10 DBBE CN1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1=O 593540077 JFLASEUBKXQKHQ-ZETCQYMHSA-N 300.296 -0.501 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2ncns2)CC1 597725005 KPVMWCJIONOOIL-UHFFFAOYSA-N 323.338 -0.008 5 10 DBBE Cc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(N(C)C)nn1 598857122 SUHREDQWJRYBLK-UHFFFAOYSA-N 306.286 -0.011 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)CN1 599099828 DJJCJIDITLSYKT-HTQZYQBOSA-N 303.344 -0.301 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)n1 599100287 LVMKGSJFZRNXPU-RNFRBKRXSA-N 307.307 -0.612 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3CC2(C(=O)O)C3)n1 600664586 CJOJCRVTUCKFRQ-UHFFFAOYSA-N 316.295 -0.434 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCNC2=O)n1 755573548 NTUSIWRMFREQDU-UHFFFAOYSA-N 311.254 -0.480 5 10 DBBE CCS(=O)(=O)NCCCOC(=O)c1nn(C)cc1[N+](=O)[O-] 772050039 BHHSUIKKUKAZFQ-UHFFFAOYSA-N 320.327 -0.186 5 10 DBBE CCN(OC)C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 845952486 PHJFDZOGVGCGOE-UHFFFAOYSA-N 318.311 -0.322 5 10 DBBE CN(C)c1cc(F)c(C(=O)N2CC(O)(CO)C2)cc1[N+](=O)[O-] 854675095 VOYWWFSAMPRHRJ-UHFFFAOYSA-N 313.285 -0.021 5 10 DBBE COC(OC)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 1154341233 LHTSMQVCOJHLIT-GHMZBOCLSA-N 314.294 -0.276 5 10 DBBE CC(C)OCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1328946369 KOTZHMJUPVVABQ-UHFFFAOYSA-N 306.300 -0.442 5 10 DBBE O=C(/C=C\CN1CCOCC1)NCCn1cc([N+](=O)[O-])cn1 1545543309 XCEKGSUCWHWGEB-UPHRSURJSA-N 309.326 -0.204 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO 1558702414 RHYZLSWQTPSBGM-QWRGUYRKSA-N 323.353 -0.001 5 10 DBBE O=C(NC1(CCO)CN(C(=O)/C=C\C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1571883446 KFXDWOUBTSHUMH-OPVGQWETSA-N 323.349 -0.303 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCC2CS(=O)(=O)C2)n1 1585100774 IPQFWMAGLKAUEQ-UHFFFAOYSA-N 316.339 -0.024 5 10 DBBE O=c1[nH]ccn2c(CCN=c3cc[nH]cc3[N+](=O)[O-])nnc12 1612903720 SGNZPKIASBVASH-UHFFFAOYSA-N 301.266 -0.203 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCC(=O)NCC12COC2 1644311873 OOWVZHUIEOSYKF-UHFFFAOYSA-N 309.326 -0.309 5 10 DBBE Cc1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)nn1 1688325927 WGOSYEKCKOBOOS-VXGBXAGGSA-N 321.337 -0.053 5 10 DBBE COCC1(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 1738751480 VVHWITYSFPVLMB-NXEZZACHSA-N 311.338 -0.157 5 10 DBBE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC([N+](=O)[O-])C1 1899960172 FCRYGDCDZBIXKF-VXNVDRBHSA-N 303.315 -0.252 5 10 DBBE C[C@H](O)CN(C)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 51840080 UPPJRHOZPAXEOI-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@](O)(C(N)=O)C1 276487644 UNSWWZHDGXQOTK-LKFCYVNXSA-N 322.321 -0.156 5 10 DBBE CNC(=O)CN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 346380051 HFUIOKVCEINEJR-UHFFFAOYSA-N 322.321 -0.196 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](c2nn[nH]n2)C1 537125230 FMEZFXONFHKNOP-MRVPVSSYSA-N 306.286 -0.289 5 10 DBBE Cn1nnnc1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 591757575 IEFMWNKSTVYZAK-LLVKDONJSA-N 322.325 -0.310 5 10 DBBE C[C@H]1C(=O)N(C)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596290305 BEZYOAHLIPHVMT-ZETCQYMHSA-N 314.323 -0.133 5 10 DBBE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)c1c[nH]nc1[N+](=O)[O-])C2 1116943968 DFABCUUYGRMCMB-ISVAXAHUSA-N 324.293 -0.030 5 10 DBBE CC(C)(CNS(C)(=O)=O)NC(=O)c1ccc([N+](=O)[O-])[nH]1 1558457789 UHVLOPZYKOLTGF-UHFFFAOYSA-N 304.328 -0.020 5 10 DBBE Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](CO)[C@@H](CO)C1 1636129456 MZMMEJJVTWADDF-OCAPTIKFSA-N 313.285 -0.011 5 10 DBBE COCCCOCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1759225828 NDSUCEDUQOCQEF-GHMZBOCLSA-N 315.326 -0.968 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NCC[C@@H]1CNCCS1(=O)=O 1916402981 BAHXJZXQRYLQKH-MRVPVSSYSA-N 303.344 -0.483 5 10 DBBE CC[C@@H](CS(C)(=O)=O)N=c1[nH]c(=NC)[nH]cc1[N+](=O)[O-] 2146288326 KNXLLJOYLOVECX-ZETCQYMHSA-N 303.344 -0.495 5 10 DBBE Cc1cc([N+](=O)[O-])nn1[C@@](C)(C(=O)O)C1CS(=O)(=O)C1 2146793027 ZIVIYNYXECMHQQ-SNVBAGLBSA-N 303.296 -0.056 5 10 DBBE COc1nc(=NC[C@@H]2CCS(=O)(=O)C2)[nH]cc1[N+](=O)[O-] 2157672578 ARTNROYFYYXCKK-ZETCQYMHSA-N 302.312 -0.338 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N=[S@](C)(=O)CC1CNC1 2186527181 MOXNAPAQVMNOMU-HXUWFJFHSA-N 301.328 -0.214 5 10 DBBE O=C(O)[C@H](CO)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2188008114 LWNPAKYPDOWEAM-ZETCQYMHSA-N 304.280 -0.434 5 10 DBBE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1c1ncc([N+](=O)[O-])cc1Cl 2200863191 QUIRFYJLSUAERM-BIIVOSGPSA-N 303.658 -0.362 5 10 DBBE Cc1nc(NS(=O)(=O)N2CC(CN)C2)ccc1[N+](=O)[O-] 2233145202 ZOHHTJOIPRXRPB-UHFFFAOYSA-N 301.328 -0.155 5 10 DBBE C[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCNC1=O 2288923099 TWHMCGVUTFTECC-JTQLQIEISA-N 300.296 -0.453 5 10 DBBE COCCNC(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1F 87892144 LQGAYCYZYRZOSQ-UHFFFAOYSA-N 321.286 -0.243 5 10 DBBE C[C@@H](O)CN(C)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 126769897 VGNXQABGZQINIR-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE NCCN1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 170358243 DRJLITIQXVNYCF-UHFFFAOYSA-N 321.337 -0.364 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1c(N)cccc1[N+](=O)[O-] 311829158 DWGJFSIOUBAMAP-SFHVURJKSA-N 307.353 -0.166 5 10 DBBE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 355493031 AWVXRSJPZOUBLL-JTQLQIEISA-N 323.309 -0.610 5 10 DBBE NC(=O)[C@H](CO)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F 487749502 CSJNBPARPDHWHG-VIFPVBQESA-N 303.221 -0.622 5 10 DBBE CNc1nccc(C(=O)N2CCO[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] 563408283 RLYZMXROGKXPEM-WCBMZHEXSA-N 310.310 0.253 5 10 DBBE CO[C@]1(CO)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 595662159 NHWHNXAFZNNPKT-CHWSQXEVSA-N 314.342 -0.375 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)C2CCOCC2)n1 1331715011 JEJMMDLSXODRTE-UHFFFAOYSA-N 318.311 -0.440 5 10 DBBE O=C1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C2(CN1)COC2 1560120948 MGBLJZGAVNVVAN-LBPRGKRZSA-N 307.306 -0.171 5 10 DBBE CN1CC[C@](O)(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 1567317857 YWBRXTPRIKTNEN-OCCSQVGLSA-N 309.322 -0.189 5 10 DBBE CN1CC[C@@](O)(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 1567317858 YWBRXTPRIKTNEN-TZMCWYRMSA-N 309.322 -0.189 5 10 DBBE Cn1c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cnc1[N+](=O)[O-] 1890683743 ORKVAWRUUWJASR-ZETCQYMHSA-N 302.312 -0.507 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CC(O)(CO)C2)ccc1O 2171960525 RUGMBWNERVIAGE-UHFFFAOYSA-N 304.280 -0.972 5 10 DBBE CO[C@H]1CNC[C@@H]1S(=O)(=O)Nc1cc([N+](=O)[O-])ccn1 2202448800 NBMOVKOBIRRLDN-IUCAKERBSA-N 302.312 -0.282 5 10 DBBE O=C1C[C@@H](NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)CN1 2232790909 HSLDOYSJIARFJQ-ZCFIWIBFSA-N 303.271 -0.099 5 10 DBBE Cn1cc([N+](=O)[O-])c(=N[C@@H](CSCC(=O)O)C(=O)O)[nH]1 2288535970 JTQJVHMYVLMSMZ-YFKPBYRVSA-N 304.284 -0.567 5 10 DBBE Nc1sc(S(=O)(=O)NCCn2ccnn2)cc1[N+](=O)[O-] 128090154 ILTIVIVOOYSZBQ-UHFFFAOYSA-N 318.340 -0.192 5 10 DBBE NNc1cc(S(=O)(=O)N[C@H]2CCOC2)ccc1[N+](=O)[O-] 131333164 LVHIUUJYBOYIEQ-ZETCQYMHSA-N 302.312 -0.052 5 10 DBBE CS(=O)(=O)CCNC(=O)c1cccc(NN)c1[N+](=O)[O-] 157093352 PHYMIFSKKSEDSW-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CNCCO2)ccc1O 157394820 VGZHURNOASUPBQ-MRVPVSSYSA-N 317.323 -0.433 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 160828340 VXUYTGNKSFAIFE-UHFFFAOYSA-N 306.275 -0.320 5 10 DBBE Cn1ccnc1N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 353597219 PFHHTBPMMUHAMQ-UHFFFAOYSA-N 320.313 -0.731 5 10 DBBE O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CCN2CCOC[C@@H]2C1 365200405 QJOVYLWJCNTDOY-JTQLQIEISA-N 308.294 -0.148 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(CO)COC2)s1 443493379 WSTZHQWEGCMFBB-UHFFFAOYSA-N 308.337 -0.057 5 10 DBBE NC(=O)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1=O 459713829 XJYIYSUUTVTAFV-UHFFFAOYSA-N 322.321 -0.397 5 10 DBBE NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCn2nncc2C1 583945093 HGXNUCKDAPPMGK-UHFFFAOYSA-N 324.322 -0.146 5 10 DBBE CN(CC(=O)NC1CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594743501 FMBVEYUIWFTMBD-UHFFFAOYSA-N 314.323 -0.111 5 10 DBBE CCO[C@H]1C[C@@H]1C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1261816625 PWMDZPVVJTXYGC-XPUUQOCRSA-N 318.311 -0.442 5 10 DBBE O=C(NC[C@]1(OCCO)CCOC1)c1n[nH]cc1[N+](=O)[O-] 1331248442 XFGDVZPGDZFAOC-LLVKDONJSA-N 300.271 -0.784 5 10 DBBE CO[C@H](CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 1347178307 MATZPYQAEPAPFG-WCFLWFBJSA-N 314.342 -0.207 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NCCCN2C(=O)CNC2=O)n1 1353178670 TYVFOPFZYPIETQ-UHFFFAOYSA-N 321.293 -0.030 5 10 DBBE C[C@H](CCS(C)(=O)=O)OC(=O)Cn1cnc([N+](=O)[O-])n1 1357640233 YABDVTQJGUKWAH-SSDOTTSWSA-N 306.300 -0.447 5 10 DBBE CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cnn[nH]1 1483475876 MOTLRXWYPVDRHU-UHFFFAOYSA-N 322.329 -0.302 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2(C[C@H](O)CNC2=O)C1 1558317867 NHOQHWBNFLUVGF-JTQLQIEISA-N 320.305 -0.379 5 10 DBBE CN(CCN1CCN(CCCO)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1567717847 MCEINGRAPHJAEN-CHWSQXEVSA-N 314.386 -0.890 5 10 DBBE Cn1cc(C[C@@H](CO)NC(=O)c2nn(C)cc2[N+](=O)[O-])cn1 1630355981 FXLHVLGHIQOYMP-VIFPVBQESA-N 308.298 -0.605 5 10 DBBE CN(C)C[C@@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 1642862426 AGSYHFMQGHJFOR-AWEZNQCLSA-N 323.353 -0.018 5 10 DBBE O=C1NOC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2148980932 JIWUIJLKZFTZAN-ZETCQYMHSA-N 305.243 -0.558 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2157536459 GDRKETTZOODPLA-UHFFFAOYSA-N 322.730 -0.229 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)NCC(CO)CO)cc1 2179741374 CFBZEDQDNATLQY-UHFFFAOYSA-N 304.324 -0.385 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2C[C@H]3CCS(=O)(=O)[C@H]3C2)n1 2196047081 IVBNTEHPBPEGRG-KCJUWKMLSA-N 300.340 -0.053 5 10 DBBE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1cc(CO)sc1[N+](=O)[O-] 2233866202 OULYZRGGSWEOBS-KXUCPTDWSA-N 304.324 -0.295 5 10 DBBE Nc1cc(NCC2(O)CS(=O)(=O)C2)c(F)cc1[N+](=O)[O-] 2283073735 IULDXNMIZCOABH-UHFFFAOYSA-N 305.287 -0.113 5 10 DBBE CNc1ccc(S(=O)(=O)NCc2nnn[nH]2)cc1[N+](=O)[O-] 50672796 JQSUSJYJFALADL-UHFFFAOYSA-N 313.299 -0.372 5 10 DBBE COCCNC[C@H](O)CS(=O)(=O)c1ccccc1[N+](=O)[O-] 123677765 CVFMTORPEFQKFO-JTQLQIEISA-N 318.351 -0.035 5 10 DBBE CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnn(C)n1 127721220 ADVMRQXAQLPMEA-UHFFFAOYSA-N 313.299 -0.039 5 10 DBBE NC(=O)[C@H](N)Cn1cc(Br)cc([N+](=O)[O-])c1=O 217013124 AKWJDQIBTVSASJ-RXMQYKEDSA-N 305.088 -0.668 5 10 DBBE C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCS1(=O)=O 408197494 JSJMNXYSBQRJRH-QMMMGPOBSA-N 302.312 -0.563 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CNCCC1(F)F 567900022 HMLPKKDTBBGYHD-SECBINFHSA-N 316.264 -0.130 5 10 DBBE CN(C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593573670 ZFDCSKHEJBKARF-UHFFFAOYSA-N 317.327 -0.461 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H](O)C2(C)C)n1 599280030 ABSYOCXYJWJZAN-HTQZYQBOSA-N 304.328 -0.234 5 10 DBBE C[C@H]1CC(=O)NN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 1136141379 ZZHSKBQHIKIRRV-QMMMGPOBSA-N 306.278 -0.023 5 10 DBBE COC(=O)C1(O)CN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 1163974849 UFOXGWIEVAOQJV-UHFFFAOYSA-N 300.242 -0.050 5 10 DBBE CCOCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1281444482 DPGNWFKEPHHFHG-GHMZBOCLSA-N 311.338 -0.251 5 10 DBBE Cc1ccc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1285545824 TVBJMZFXDNWUKM-IRSQKABVSA-N 319.321 -0.148 5 10 DBBE O=C(c1cc([N+](=O)[O-])ccc1-n1cnnn1)N1CC[C@H]1CO 1289246609 KNFWNVLFNQMURK-VIFPVBQESA-N 304.266 -0.223 5 10 DBBE C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1nncn1C 1334954755 JSRVILHVJDIFBS-LURJTMIESA-N 315.315 -0.504 5 10 DBBE O=C(NCCN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1567829671 RUTUVEWMLCWPCU-VXGBXAGGSA-N 310.354 -0.774 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CCN(CC1)C2 1581082350 KEKGCWKEQHIZPF-VXGBXAGGSA-N 324.381 -0.288 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCO[C@@H]1CCOC1 1635591526 YIPSGHSBGSFZOO-SNVBAGLBSA-N 311.294 -0.322 5 10 DBBE C[C@@H]1C(=O)N(C)S(=O)(=O)N1Cc1cccnc1[N+](=O)[O-] 1651943737 NRJSEYNWWOPDJC-SSDOTTSWSA-N 300.296 -0.103 5 10 DBBE Cc1ncncc1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737726468 VMWGXHUNAVYKHI-MWLCHTKSSA-N 307.310 -0.362 5 10 DBBE O=C(NC1CN(C(=O)CCCn2ccnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1737996568 PXWQRPMKUBTFEX-VXGBXAGGSA-N 321.337 -0.345 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3cnc([N+](=O)[O-])n3C)C[C@H]2C1=O 1889719570 HNFXEIQHEARCOC-RNFRBKRXSA-N 307.266 -0.985 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NN2CCNCC2)c(F)c1 2145593926 UVNRSOKXZIMNDH-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNCC2[C@H]3CS(=O)(=O)C[C@H]23)n1 2174705299 UAUOMQFEDRNALX-RKDXNWHRSA-N 300.340 -0.292 5 10 DBBE Cc1nc(Cl)nc(O[C@@]2(C(N)=O)CCNC2)c1[N+](=O)[O-] 2184654426 DUVPAJBGKILOGC-JTQLQIEISA-N 301.690 -0.057 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2(CO)COC2)c(F)c1 2189264386 MBQHFGBIRUXDOR-UHFFFAOYSA-N 306.271 -0.227 5 10 DBBE C[C@H](CS(=O)(=O)NCc1nn(C)cc1[N+](=O)[O-])C(=O)O 2240654587 SUSAIACJTBDXBU-ZCFIWIBFSA-N 306.300 -0.532 5 10 DBBE COC(=O)CN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O 52125845 JZLGYHUBRBWTJB-UHFFFAOYSA-N 300.248 -0.088 5 10 DBBE NNc1cccc(S(=O)(=O)N2CCOCC2)c1[N+](=O)[O-] 126648316 JLXSMUGRZNVGAI-UHFFFAOYSA-N 302.312 -0.099 5 10 DBBE COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nn1cnnc1 170371779 RBJITLAGBNEXTH-UHFFFAOYSA-N 306.238 -0.096 5 10 DBBE Cc1nn(C)c([C@@]2(C(=O)O)CCS(=O)(=O)C2)c1[N+](=O)[O-] 312417706 JXKQVBSIDSRNHL-SNVBAGLBSA-N 303.296 -0.222 5 10 DBBE C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 342282681 JRKYJCJHOCWYTK-MNOVXSKESA-N 324.341 -0.492 5 10 DBBE CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)NC 593606877 YSHKRKLEVGSOCC-MRVPVSSYSA-N 302.312 -0.207 5 10 DBBE CS(=O)(=O)NC1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 600326396 OXSBPRNQHSBOSV-UHFFFAOYSA-N 315.307 -0.326 5 10 DBBE NS(=O)(=O)[C@@H]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])C1 707415309 RHJQGYPCSOWSCB-RXMQYKEDSA-N 307.719 -0.095 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@]2(CNC(=O)C2)C1 1116859516 KHYJLQRCRNORHD-CYBMUJFWSA-N 307.310 -0.162 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(C[C@H](O)CNC2=O)C1 1154867729 VOYBOVBHVACSGM-NSHDSACASA-N 305.290 -0.082 5 10 DBBE NS(=O)(=O)c1c(N2CCNC(=O)CC2)cccc1[N+](=O)[O-] 1251610252 NUUYYBZOVPMZAZ-UHFFFAOYSA-N 314.323 -0.432 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCCOCCS(C)(=O)=O 1628192406 WOXDEWKCVPDIKL-UHFFFAOYSA-N 320.327 -0.881 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1 1630213171 SCPVVLWGXXKXHD-QMMMGPOBSA-N 322.281 -0.813 5 10 DBBE O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1csc([N+](=O)[O-])c1 1640824932 KLDMVCQXTPDDEL-JTQLQIEISA-N 320.348 -0.064 5 10 DBBE Cn1cc(C(=O)N2CC(n3ccnn3)C2)cc([N+](=O)[O-])c1=O 1891178641 GUZSCBOXADETOX-UHFFFAOYSA-N 304.266 -0.418 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NC[C@H]2COC[C@@H]2O)c1 2154107784 CDVHJGSIYGEOAS-XVKPBYJWSA-N 303.296 -0.725 5 10 DBBE CN(C)C(=O)CCN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 29824626 PSAGDYRTBDZYNL-UHFFFAOYSA-N 310.358 -0.071 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCc2nnn[nH]2)ccc1F 44930690 PCUCOJFUJCHBBI-UHFFFAOYSA-N 302.247 -0.275 5 10 DBBE CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C(N)=O 50656747 GPLSCWZTQVUMIA-LURJTMIESA-N 302.312 -0.211 5 10 DBBE COCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])nc21 96552262 YIKWSTADEQTYGM-UHFFFAOYSA-N 310.266 -0.522 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 136167728 SHSGWELKCPGUSK-LURJTMIESA-N 317.327 -0.577 5 10 DBBE COC[C@@H](C(N)=O)N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] 354607412 FIMOMVXOFFQXAP-LBPRGKRZSA-N 324.337 -0.010 5 10 DBBE CN(C)C(=O)CN1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 361783333 MGPCEVWONMHSET-UHFFFAOYSA-N 323.357 -0.433 5 10 DBBE N[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 688512802 LUOWECAOZMAHNI-LLVKDONJSA-N 301.324 -0.009 5 10 DBBE O=c1nc(O)c([N+](=O)[O-])cn1C[C@H]1CCCCS1(=O)=O 694452915 JKOOWNVZGOYWAI-SSDOTTSWSA-N 303.296 -0.176 5 10 DBBE CS(=O)(=O)c1cccc(N[C@@H]2CNC[C@H]2O)c1[N+](=O)[O-] 699926063 SVRLXDPIKZHLRD-RKDXNWHRSA-N 301.324 -0.257 5 10 DBBE CO[C@@H](C)CCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 861326448 JSXMLHYJILOAAL-ZETCQYMHSA-N 320.327 -0.052 5 10 DBBE CN1C(=O)[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]2C1=O 1187340820 KMJUPWGJMMGNSL-OCAPTIKFSA-N 319.277 -0.860 5 10 DBBE NC(=O)[C@@H](F)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1470782799 JYHFNYVEMAUOMH-VIFPVBQESA-N 314.277 -0.752 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCS(=O)(=O)C[C@H]1CCO 1559284663 MILKAWKEUDUSEQ-MRVPVSSYSA-N 304.328 -0.686 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](CO)[C@@H](O)C1 1612468441 HMHLELQEBVALHF-KWQFWETISA-N 316.335 -0.212 5 10 DBBE COC(=O)c1ccnc(N2CCN(C)[C@H](CO)C2)c1[N+](=O)[O-] 1651316069 XMMKKRRNHOXZJV-VIFPVBQESA-N 310.310 -0.111 5 10 DBBE CCCN(C)CC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688358338 AVYMSYJDSQQZHD-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CC([N+](=O)[O-])C1 1900052631 XBVZBZRRUKCOHC-CBAPKCEASA-N 303.315 -0.252 5 10 DBBE CCc1nn(C)c(N2CCS(=O)(=O)CCN2)c1[N+](=O)[O-] 1965650023 KWQCSLMTUANRDN-UHFFFAOYSA-N 303.344 -0.370 5 10 DBBE CS(=O)(=O)CCS(=O)(=O)CC(=O)c1cc([N+](=O)[O-])c[nH]1 2145869691 DLSDYSILCATWRO-UHFFFAOYSA-N 324.336 -0.435 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCNNCC2)ccc1O 2152187833 XBZAVRLFMFDLFD-UHFFFAOYSA-N 302.312 -0.601 5 10 DBBE NS(=O)(=O)NCCNC(=O)Cc1ccccc1[N+](=O)[O-] 2157538320 YLGRMLLJWNDVFY-UHFFFAOYSA-N 302.312 -0.953 5 10 DBBE COC(=O)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2159751413 IQGGPIMXALGPDE-UHFFFAOYSA-N 301.280 -0.217 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCSC[C@@H]1C(=O)O 2186545083 BACWTBOTRMWMDO-SSDOTTSWSA-N 300.296 -0.030 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1NC[C@@H](O)[C@H]1O 2201148539 HNGMHDGWBUCHBG-OPRDCNLKSA-N 301.686 -0.120 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=NCC(F)(F)C1(O)CNC1 2288482240 DTLSYWLKZBXCEB-UHFFFAOYSA-N 309.660 -0.158 5 10 DBBE Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C(N)=O 94780542 AUIRURIENQAQSY-ZCFIWIBFSA-N 302.312 -0.362 5 10 DBBE O=C(O)C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 312730425 JNLIIGUMEUYJIZ-UHFFFAOYSA-N 304.236 -0.589 5 10 DBBE NS(=O)(=O)c1ccc(N2CCn3nncc3C2)c([N+](=O)[O-])c1 577768938 XLEYWBIKYLJEGK-UHFFFAOYSA-N 324.322 -0.146 5 10 DBBE O=C(O)[C@@H]1CSCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 598660824 XGNUWBVLMYBFRE-ZETCQYMHSA-N 315.311 -0.538 5 10 DBBE Cn1ccc(NC(=O)CNC(=O)Cn2ccc([N+](=O)[O-])n2)n1 619251974 WFAAONPNVYWROJ-UHFFFAOYSA-N 307.270 -0.720 5 10 DBBE CN(CCCNc1ncnc(N)c1[N+](=O)[O-])S(C)(=O)=O 692434091 YWNCRCLGXJIMDK-UHFFFAOYSA-N 304.332 -0.340 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncnc(N)c1[N+](=O)[O-] 696993896 FVWHLAQBYSKYRM-NTSWFWBYSA-N 303.300 -0.809 5 10 DBBE CNc1ncc([N+](=O)[O-])c(NCCN(C)S(C)(=O)=O)n1 822020115 HXHXWIZOPDBZNI-UHFFFAOYSA-N 304.332 -0.270 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(O)(C(=O)O)C1 864091310 BKPDSFKIHGGQNO-UHFFFAOYSA-N 316.291 -0.277 5 10 DBBE COc1ccc(CC(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1[N+](=O)[O-] 1141988926 HYUDVDCFZHXLLF-JQWIXIFHSA-N 310.306 -0.043 5 10 DBBE Cn1cc([C@H](O)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cn1 1149973212 LUKVZPIIYYTKMI-GFCCVEGCSA-N 321.293 -0.660 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCC(=O)Nc1ccn(C)n1 1297231139 QNDLLWBNBPQECB-UHFFFAOYSA-N 321.297 -0.412 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC(N[C@H]2CCOC2)C1 1304083161 BRIGJJASKXWCQR-JTQLQIEISA-N 322.321 -0.654 5 10 DBBE CNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cc(C)n1 1466974699 FSNCWDYZQDQTMM-UHFFFAOYSA-N 302.312 -0.423 5 10 DBBE Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ncn1 1506048799 BCDYJAFMBUUJSG-MWLCHTKSSA-N 319.321 -0.171 5 10 DBBE CN(C)CCCNC(=O)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] 1559417452 SSDOVFCMFBYICQ-UHFFFAOYSA-N 300.275 -0.233 5 10 DBBE Cc1ncc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 1583152780 QGEISHKNRPXGET-NWRGJWMSSA-N 307.310 -0.214 5 10 DBBE CCn1cnnc1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1596143320 NEBBEQBRRDQAGE-UHFFFAOYSA-N 306.282 -0.316 5 10 DBBE O=C(NC1(CCO)CN(C(=O)C2CC=CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1734821734 ZGTHVFMHFIAFMW-VXGBXAGGSA-N 323.349 -0.303 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CCS(=O)(=O)CCN1 2106515339 PCBPAIRFGATRDY-UHFFFAOYSA-N 307.719 -0.222 5 10 DBBE CS(=O)(=O)C[C@@H]1CCCN1c1ncnc(N)c1[N+](=O)[O-] 2151274117 RNNGVPRBCLQVDR-ZETCQYMHSA-N 301.328 -0.020 5 10 DBBE NS(=O)(=O)c1cn([C@@H]2CCCCNC2=O)nc1[N+](=O)[O-] 2156813051 DXFCXJJDVLZQSS-ZCFIWIBFSA-N 303.300 -0.720 5 10 DBBE COc1nc(=NCCN(C)S(C)(=O)=O)[nH]cc1[N+](=O)[O-] 2157674333 ZIGZVOQBUUKYIM-UHFFFAOYSA-N 305.316 -0.881 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCOCCCO)cn1 2160288205 IFCKPJGHBVUITK-UHFFFAOYSA-N 305.312 -0.333 5 10 DBBE CN=c1[nH]c(N=[S@@](C)(=O)CC2CNC2)ncc1[N+](=O)[O-] 2173821375 FQDJZZCLKZSSAR-FQEVSTJZSA-N 300.344 -0.203 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](O)C(=O)O 2176845221 YERKXYCPLADIMW-HZGVNTEJSA-N 304.280 -0.293 5 10 DBBE O=[N+]([O-])c1c(N2CC3(C2)OC[C@H](O)[C@H]3O)ccnc1Cl 2183646474 YCHRVXPRENPUBN-IONNQARKSA-N 301.686 -0.046 5 10 DBBE Nc1sc(S(=O)(=O)NC[C@@H]2CNC(=O)O2)cc1[N+](=O)[O-] 2186492694 ODNNKJPSOQEMCU-BYPYZUCNSA-N 322.324 -0.375 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1N=c1[nH]c(Cl)ncc1[N+](=O)[O-] 2207468402 BKIIELVOPHUTST-FSPLSTOPSA-N 322.730 -0.316 5 10 DBBE Cc1c([N+](=O)[O-])c(=N[C@H]2COC[C@H]2S(C)(=O)=O)[nH]n1C 2207469343 HPXLOMHZDUIREA-JGVFFNPUSA-N 304.328 -0.717 5 10 DBBE NCC(CO)(CO)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 2280472063 GFIIDKUVKDKOII-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE Cn1c(C(=O)NCCS(=O)(=O)CCO)ccc1[N+](=O)[O-] 2360994486 PLFHNIPDBZBBEJ-UHFFFAOYSA-N 305.312 -0.930 5 10 DBBE Nc1c(Cl)cc(C(=O)NCCS(N)(=O)=O)cc1[N+](=O)[O-] 50703192 XQVCPZOLHJQZIH-UHFFFAOYSA-N 322.730 -0.151 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H](CO)C1 167881748 ZLYZDZUACYYRAO-VIFPVBQESA-N 317.323 -0.441 5 10 DBBE C[C@](O)(CO)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 801973410 FPVYASOBOJMOEF-CYBMUJFWSA-N 308.294 -0.196 5 10 DBBE CCCOC(=O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859048982 VUVDGXHKAJVWSI-UHFFFAOYSA-N 320.327 -0.050 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)CC(=O)N2 1116850845 ZPOCYMNBRZTFKB-UHFFFAOYSA-N 305.294 -0.052 5 10 DBBE CNC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CCO1 1296233838 KCHMFOIDORDKGM-NSHDSACASA-N 308.294 -0.236 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC(N2CCOCC2)C1 1331656420 NZVCFFHFGHLIJW-UHFFFAOYSA-N 309.326 -0.229 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC(N2CCOCC2)C1 1335298844 SPNAXMRTLUZEHH-UHFFFAOYSA-N 309.326 -0.079 5 10 DBBE CC(=O)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1348135427 WOGOPLHHGPXCGC-UHFFFAOYSA-N 317.327 -0.819 5 10 DBBE N[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1615977021 GPLGNQGLXIGDHD-GHMZBOCLSA-N 301.324 -0.011 5 10 DBBE NC(=O)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1O)C(=O)O 1866176994 YLUMFKJIZSEOAP-ZETCQYMHSA-N 311.250 -0.251 5 10 DBBE C[C@@H](N=c1[nH]c(=N)[nH]cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 2146103143 LHLJGJRQQKNJNN-RQJHMYQMSA-N 301.328 -0.546 5 10 DBBE CS(=O)(=O)C[C@H]1CCCN1c1nc(=N)[nH]cc1[N+](=O)[O-] 2151275308 WVMOLCNBRXRLMP-SSDOTTSWSA-N 301.328 -0.189 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)c1cc(N)ccc1[N+](=O)[O-] 2152952052 FNTLLWGIIWKSAK-LURJTMIESA-N 302.312 -0.416 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)Cc1ccccc1[N+](=O)[O-] 2152953271 KSBDNAVCEHAFAT-MRVPVSSYSA-N 301.324 -0.070 5 10 DBBE Cc1nc(NN)nc(N2CC(C[S@@](C)=O)C2)c1[N+](=O)[O-] 2166654381 UWGGRBSLOXPWLP-HXUWFJFHSA-N 300.344 -0.206 5 10 DBBE CC1(CS(C)(=O)=O)CN(c2ncnc(N)c2[N+](=O)[O-])C1 2173186381 ZBANJTBSVWCDRY-UHFFFAOYSA-N 301.328 -0.162 5 10 DBBE NS(=O)(=O)c1cn(CC2COCCOC2)nc1[N+](=O)[O-] 2187910863 YPYPJRYSKLHMMZ-UHFFFAOYSA-N 306.300 -0.898 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(=NCCCNS(N)(=O)=O)[nH]1 2239030057 LRWSRBBWJWTYNJ-UHFFFAOYSA-N 306.348 -0.611 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@@](C)(F)CN)n1 2240624282 UTTJIGQPZYFYIE-VIFPVBQESA-N 309.323 -0.565 5 10 DBBE Cn1cc(S(N)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 40382047 HTALVMILZBXJHE-UHFFFAOYSA-N 314.283 -0.444 5 10 DBBE Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](O)CO)c1C 90281498 PIUBVYASCFNOSD-SNVBAGLBSA-N 304.324 -0.157 5 10 DBBE O=C(CN1CC(=O)NC1=O)NCCc1cccc([N+](=O)[O-])c1 270757302 LJFNFXTXIQSRAJ-UHFFFAOYSA-N 306.278 -0.195 5 10 DBBE NC(=O)c1ccc(NCCCS(N)(=O)=O)cc1[N+](=O)[O-] 312428268 VIEAOQWKWXIVAQ-UHFFFAOYSA-N 302.312 -0.216 5 10 DBBE N[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 323310865 QALSCGYOGVKVIM-MRVPVSSYSA-N 303.296 -0.574 5 10 DBBE Nc1cc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)ccc1[N+](=O)[O-] 323434837 RHVYIQYZZIBIEK-SCZZXKLOSA-N 303.296 -0.785 5 10 DBBE CNS(=O)(=O)NCC(=O)N1CCc2c1cccc2[N+](=O)[O-] 339283049 OJFAKBDKPACWRI-UHFFFAOYSA-N 314.323 -0.462 5 10 DBBE Cn1cc([C@H](CO)Nc2ccc3ncc([N+](=O)[O-])n3n2)cn1 347772667 MHJAKAKZVYJCKR-VIFPVBQESA-N 303.282 0.517 5 10 DBBE CCCN(CC(N)=O)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594775527 CMXAHDITBRTFFM-UHFFFAOYSA-N 302.312 -0.124 5 10 DBBE NS(=O)(=O)NC1CCN(c2cccnc2[N+](=O)[O-])CC1 599175108 FMOFZAQREAQSOL-UHFFFAOYSA-N 301.328 -0.248 5 10 DBBE C[C@H](O)[C@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 717413688 FSUDRGTWWCDKTR-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE CCON(C)C(=O)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 846503849 DEYJUDZUNCIWOJ-UHFFFAOYSA-N 312.282 -0.717 5 10 DBBE O=C(NC[C@H]1CCCS(=O)(=O)C1)c1c[nH]nc1[N+](=O)[O-] 1141687880 WWMKCKQMFUAZKF-SSDOTTSWSA-N 302.312 -0.128 5 10 DBBE NC(=O)N1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1143072284 VHASUBNLTWZBBI-UHFFFAOYSA-N 323.309 -0.631 5 10 DBBE NC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C(N)=O 1196092052 FZFJFOFUSQQFPK-RKDXNWHRSA-N 310.285 -0.248 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCS[C@@H]2COCC[C@H]21 1253217812 LEXSJWWHGGUSCW-RKDXNWHRSA-N 313.339 -0.081 5 10 DBBE CC(C)(CCC(=O)N1CC[C@H](CS(N)(=O)=O)C1)[N+](=O)[O-] 1289436224 GBJXATPUSCRAAA-VIFPVBQESA-N 307.372 -0.041 5 10 DBBE Cc1c(CCC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1348934778 XCTFRJCRQLPEFK-VXGBXAGGSA-N 323.353 -0.441 5 10 DBBE CCN(CCNC(=O)CCc1cnc[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581115388 DIDWZVTVVKKYAQ-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE CNC(=O)c1ccc(N2CC(S(N)(=O)=O)C2)c([N+](=O)[O-])c1 1651138107 LAERQNXFZVVFNV-UHFFFAOYSA-N 314.323 -0.569 5 10 DBBE CN=c1nc(N=[S@]2(=O)CC[C@@H](N)C2)c([N+](=O)[O-])c(C)[nH]1 2173937310 ZLDJOYDTARHUHR-GLEHDBDLSA-N 300.344 -0.013 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=NC[C@@H]2CCS2(=O)=O)[nH]1 2286635859 HFOVGGVQFYUTFG-ZETCQYMHSA-N 302.312 -0.448 5 10 DBBE COC[C@@](C)(CCO)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 132556490 IOUKHTYLLLRPDW-VXGBXAGGSA-N 302.331 -0.471 5 10 DBBE Cn1nnnc1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 611315996 SEXOIEODZWNLMC-UHFFFAOYSA-N 306.282 -0.144 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1c([N+](=O)[O-])nc(C)n1C 697268663 BLNXDLDYNUQYHU-YUMQZZPRSA-N 304.328 -0.139 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@@H](O)CO 698919497 ODRRWNOAAGEOEP-SCZZXKLOSA-N 304.324 -0.077 5 10 DBBE Cn1[nH]c([C@H]2CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)nc1=N 1116960816 ZTCRZGZXDBDJKF-MRVPVSSYSA-N 320.313 -0.304 5 10 DBBE O=C(N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1127448927 OBUHMQSGKKAFSY-BTQIBKBOSA-N 318.351 -0.496 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CS(C)(=O)=O 1157828346 HDXQNCSCULWZMW-QMMMGPOBSA-N 305.312 -0.931 5 10 DBBE CCC(=O)NCC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1283511613 WOHBQTFDNTUEDM-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1586520781 JCMKDYDQOYNMDD-JGVFFNPUSA-N 316.339 -0.024 5 10 DBBE COC(=O)NCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 1624116392 IXMSMXKWUJZPRI-UHFFFAOYSA-N 324.293 -0.203 5 10 DBBE Cc1nc(N2CCN(S(C)(=O)=O)CC2)ncc1[N+](=O)[O-] 1649488662 DITAHRGGCPLERM-UHFFFAOYSA-N 301.328 -0.225 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H](CNS(N)(=O)=O)C1 1650711409 KAWZXYWSLLOTLO-QMMMGPOBSA-N 318.359 -0.662 5 10 DBBE COC(=O)CNC(=O)[C@H]1CCCN1c1ncc([N+](=O)[O-])c(C)n1 1651964325 LDNBPABXANZRAZ-SECBINFHSA-N 323.309 -0.049 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cn(C)cn1 1720479634 ACWOJOGOJATZMI-MWLCHTKSSA-N 309.326 -0.336 5 10 DBBE C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCCNC=O 1859178242 OETYVKOKBSYFPV-SNVBAGLBSA-N 322.321 -0.035 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@H]2COC[C@H]2N)cc1[N+](=O)[O-] 2149986876 HWXHXVNWJOWKCQ-ZJUUUORDSA-N 301.324 -0.092 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C(F)(F)C2)cn1 2152096661 RJXDQWABCJDTLF-SSDOTTSWSA-N 309.250 -0.010 5 10 DBBE CCN=c1nc(N=[S@](C)(=O)C2CNC2)c([N+](=O)[O-])c[nH]1 2173934704 GXSGCPRKZUNDHM-HXUWFJFHSA-N 300.344 -0.060 5 10 DBBE O=C(O)C1CN(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)C1 2202433339 GSZVFYBDUOFLPG-UHFFFAOYSA-N 302.268 -0.337 5 10 DBBE CS(=O)(=O)C[C@@H](N)C(=O)Nc1cc(Cl)ncc1[N+](=O)[O-] 2360520918 CDHYTVWBTAJUMF-RXMQYKEDSA-N 322.730 -0.046 5 10 DBBE NNc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1N 21035361 WATOTPIDSRDIJM-UHFFFAOYSA-N 324.326 -0.084 5 10 DBBE Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](O)CO)c1C 90281497 PIUBVYASCFNOSD-JTQLQIEISA-N 304.324 -0.157 5 10 DBBE Nc1cc(S(=O)(=O)NN2CCOCC2)ccc1[N+](=O)[O-] 150121351 HZOLZTLXEBWYOU-UHFFFAOYSA-N 302.312 -0.298 5 10 DBBE CN(C)C(=O)CCN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 351876507 FXUXSLSQDGDVAB-UHFFFAOYSA-N 324.385 -0.113 5 10 DBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC1COCCOC1 590004614 RYYKUXGMHFSTCZ-UHFFFAOYSA-N 323.305 -0.144 5 10 DBBE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 592875064 VSERZYUTYWWTES-MRVPVSSYSA-N 310.314 -0.490 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3COC[C@H]3C2)n1 599350880 VSSRHDIBNDYEGS-DTWKUNHWSA-N 316.339 -0.015 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](CC(=O)O)C2)n1 600653699 MKIMPFTXSGIMMH-ZETCQYMHSA-N 318.311 -0.186 5 10 DBBE CN1CC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 712358028 RDJUVISWZFURSL-ZCFIWIBFSA-N 321.384 -0.076 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCOCC1 773368282 BCPCGOSYVCJJTO-JTQLQIEISA-N 324.337 -0.400 5 10 DBBE COCCOCCN(CCO)C(=O)c1c([N+](=O)[O-])cnn1C 1118886243 BYOJHDHLVLSQRP-UHFFFAOYSA-N 316.314 -0.574 5 10 DBBE COCCCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357171221 NPNCCGMYHGJADO-GHMZBOCLSA-N 301.343 -0.005 5 10 DBBE C[C@]1(C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])NC(=O)NC1=O 1449354238 XBMNVJLRSQJYFP-XHGVETGHSA-N 310.310 -0.369 5 10 DBBE CO[C@]1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCOC1 1638015639 WKEHZQCOLHPUJF-ZDUSSCGKSA-N 311.294 -0.322 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NN1C(=O)[C@H](C)N(C)C1=O 1640919454 YXEDXEHPNYSDLL-LURJTMIESA-N 310.270 -0.587 5 10 DBBE Cn1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1O 1705034843 GSWGDSILQIBVQI-QTIBKXMGSA-N 323.309 -0.807 5 10 DBBE CN(CCCNC(=O)c1cnn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758408660 NGHXMIURUBOOKU-PSASIEDQSA-N 310.314 -0.941 5 10 DBBE O=C(CCn1cnc2ccc([N+](=O)[O-])cc2c1=O)NCCO 1874021542 YGUFEMXQURLZRM-UHFFFAOYSA-N 306.278 -0.197 5 10 DBBE CS(=O)(=O)CC1CN(c2nc(NN)ccc2[N+](=O)[O-])C1 2159452311 OTYCDZOQXCVCDB-UHFFFAOYSA-N 301.328 -0.244 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2C[C@@H]3CS(=O)(=O)C[C@H]3C2)n1 2196047233 JQHMROVCYNMFSF-RKDXNWHRSA-N 300.340 -0.195 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCCNC1=O 50661725 NQKULBJHOVOLJQ-SECBINFHSA-N 314.323 -0.266 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(CO)CO 126264159 IOJGKTPMZFQGMV-UHFFFAOYSA-N 304.324 -0.075 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] 229363653 IYIAIWPKSFZROH-LURJTMIESA-N 300.296 -0.656 5 10 DBBE Cc1nn(CCC(=O)NC[C@@](C)(O)CO)c(C)c1[N+](=O)[O-] 355287174 HDAMXCLWMJOJOX-GFCCVEGCSA-N 300.315 -0.342 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@](O)(C(N)=O)C2)c1 593025656 VEFGETVCCQXCLL-AWEZNQCLSA-N 323.305 -0.197 5 10 DBBE CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1=O 593235494 TXUKXQWYNAKOON-UHFFFAOYSA-N 323.353 -0.221 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](CO)O1 593582558 OSFSNTVJSJMFDL-WPRPVWTQSA-N 317.323 -0.240 5 10 DBBE CN(C)C(=O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599221140 NUPWUMBUMBAZSJ-UHFFFAOYSA-N 305.316 -0.915 5 10 DBBE O=C(NC[C@@H]1CNC[C@H]1O)c1ccnc(Cl)c1[N+](=O)[O-] 702820219 UTZQXRROMSJKFS-POYBYMJQSA-N 300.702 -0.047 5 10 DBBE O=C1CO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@H]2N1 1129616371 CSMHOFGHRFZWAL-GHMZBOCLSA-N 306.278 -0.281 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCS(=O)(=O)CC1 1632356832 QDAZNZDSYZNCHE-UHFFFAOYSA-N 308.703 -0.158 5 10 DBBE CCOCCOCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1645244006 JANCORKLMYBMTF-UHFFFAOYSA-N 313.310 -0.074 5 10 DBBE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1O)c1cc([N+](=O)[O-])cs1 2121335102 XEEAOWMIUFUEPI-RQJHMYQMSA-N 306.321 -0.456 5 10 DBBE Cc1c([N+](=O)[O-])c(=N[C@@H]2COC[C@@H]2S(C)(=O)=O)[nH]n1C 2207469344 HPXLOMHZDUIREA-SFYZADRCSA-N 304.328 -0.717 5 10 DBBE CS(=O)(=O)CC1CC(Oc2nc(=N)[nH]cc2[N+](=O)[O-])C1 2207484001 SSJUGZMJBPXEJI-UHFFFAOYSA-N 302.312 -0.001 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2COC(=O)C2)cc1[N+](=O)[O-] 2296295808 HJPZHVCOXYGAOX-ZCFIWIBFSA-N 301.280 -0.229 5 10 DBBE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O 20020493 PEGUIDNKOHOUIF-CDUCUWFYSA-N 320.279 -0.587 5 10 DBBE CS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1[C@@H](N)CC(N)=O 44254373 VEFCDAWQNWTXPD-QMMMGPOBSA-N 303.296 -0.192 5 10 DBBE CC(CO)(CO)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 126556987 ZRQDUYXRMBPCSO-UHFFFAOYSA-N 308.287 -0.245 5 10 DBBE CC(=O)N[C@H](Cn1nc([N+](=O)[O-])nc1Br)C(=O)O 231801158 HGLUHLSHCSXLBB-SCSAIBSYSA-N 322.075 -0.462 5 10 DBBE CC[C@H](CO)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 271355204 FNJNPCKHZHWLOH-SNVBAGLBSA-N 311.342 -0.143 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 323356745 AOYYCSLRHPEOQM-APPZFPTMSA-N 303.296 -0.785 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCC1(O)Cc2ccccc2C1 610000661 HUMCHOYILFAICV-UHFFFAOYSA-N 317.305 -0.168 5 10 DBBE COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)OC 610769425 RLDAFBSCSCNOOD-VIFPVBQESA-N 311.250 -0.176 5 10 DBBE COC(=O)[C@@]1(OC)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 1147897954 NTWIFNJHLTUAJS-CYBMUJFWSA-N 324.293 -0.024 5 10 DBBE COc1ccc(CC(=O)N2CC(CO)(CO)C2)cc1[N+](=O)[O-] 1177499397 RTBOHMPIZFHQJD-UHFFFAOYSA-N 310.306 -0.041 5 10 DBBE Cc1nn(C)c(C)c1[C@H](O)CNC(=O)Cn1ccc([N+](=O)[O-])n1 1457182066 QGTFVJMVSJMZNQ-SNVBAGLBSA-N 322.325 -0.009 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCC[C@H](CNS(N)(=O)=O)C2)n1 1458151335 ISMIYKRWOXHUTG-MRVPVSSYSA-N 318.359 -0.662 5 10 DBBE CN(CCCNC(=O)Cc1ccn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1492349245 MFXJSSHYALJBJV-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE O=C(NC/C=C/CNCC(=O)N1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1497585057 RVTMUEVKEYSRJV-NUYITTKVSA-N 310.354 -0.464 5 10 DBBE CC(=O)N[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1529205467 ARWMXKHYDODMLG-JTQLQIEISA-N 308.294 -0.507 5 10 DBBE O=C1CC[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@@H]2N1 1531747942 OSANDAJRPCMKKM-IUCAKERBSA-N 308.298 -0.687 5 10 DBBE O=C(N[C@H]1CCS(=O)(=O)C1)c1[nH]nc([N+](=O)[O-])c1Cl 1543015637 SCHFREQECJSJHN-BYPYZUCNSA-N 308.703 -0.112 5 10 DBBE O=C(CCn1cccn1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721797188 TYFUPXRINWMKES-NUYITTKVSA-N 321.337 -0.273 5 10 DBBE Cc1ncn(C)c1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759697452 BBWHLKNSXAYWMF-YIZUVKHSSA-N 321.337 -0.204 5 10 DBBE NC[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2154121258 XYANSSDBNJHXSJ-CBAPKCEASA-N 302.312 -0.758 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2157546653 NFFCSGPYRUYJAC-UHFFFAOYSA-N 322.730 -0.229 5 10 DBBE CNC(=O)[C@H]1CNCCN1c1nc(Cl)ncc1[N+](=O)[O-] 2162817481 JMKJBCTVOLSCHQ-SSDOTTSWSA-N 300.706 -0.438 5 10 DBBE Nc1cccc(S(=O)(=O)NC[C@H]2CCC(=O)N2)c1[N+](=O)[O-] 127020145 LOSPKHRQMPVCCI-SSDOTTSWSA-N 314.323 -0.266 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 159077920 MAJAALYREIAMNM-KRWDZBQOSA-N 313.382 -0.105 5 10 DBBE COC(=O)[C@]1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CCSC1 270664585 OYVQZIQWDPAHLI-NSHDSACASA-N 314.323 -0.044 5 10 DBBE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 347404797 XDPBPCUJTSGGTE-SECBINFHSA-N 323.309 -0.610 5 10 DBBE C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCCF 599300005 RUYILFALJFVJPF-LURJTMIESA-N 323.306 -0.919 5 10 DBBE CN(C)S(=O)(=O)CCCn1cc([N+](=O)[O-])c(C(=O)O)n1 699048179 CRJFBPRLWVFNJK-UHFFFAOYSA-N 306.300 -0.229 5 10 DBBE NC(=O)C1CC(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)C1 716723331 OSKFJLVRHRDGLE-UHFFFAOYSA-N 320.352 -0.219 5 10 DBBE NC(=O)N1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 1140243620 ZPMTVWCXXVWHER-SECBINFHSA-N 310.314 -0.302 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CC(C2CS(=O)(=O)C2)C1 1141256522 HOVUNTWEVBTMGF-UHFFFAOYSA-N 314.323 -0.555 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCO[C@]2(CCOC2)C1 1266719639 JEKPWEVTMVSGTK-BXKDBHETSA-N 311.298 -0.359 5 10 DBBE CCn1c(S)nnc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 1327192436 UXARIROCPQPJHJ-UHFFFAOYSA-N 312.315 -0.597 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNCc1ccccn1 1501458371 ZMXKOLWEOXSVJA-CHWSQXEVSA-N 308.338 -0.343 5 10 DBBE Cc1conc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1569773181 NXMAGWLBKZTNNE-MWLCHTKSSA-N 310.310 -0.689 5 10 DBBE CC(C)C[C@@H](C(N)=O)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1620530311 VAZHEIJFYTWRTJ-NEPJUHHUSA-N 313.358 -0.016 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 1639413555 MFXOYLIKUDQTKO-SSDOTTSWSA-N 302.312 -0.413 5 10 DBBE Cn1cc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)c([N+](=O)[O-])n1 1660456839 QHWUVHGAWWGOOY-LLVKDONJSA-N 323.353 -0.209 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NC[C@@H]2CCS(=O)(=O)N2C)[nH]1 2239201688 DVCODUFNWLCWDX-QMMMGPOBSA-N 303.344 -0.321 5 10 DBBE CCc1ncc([N+](=O)[O-])c(=NC2CN(S(C)(=O)=O)C2)[nH]1 2286681964 HHXFQBOTUVKALV-UHFFFAOYSA-N 301.328 -0.575 5 10 DBBE CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50678220 IYQFQGKALZTKGS-ZETCQYMHSA-N 316.339 -0.020 5 10 DBBE C[C@H]1C(=O)NC(=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 97295057 SYEXQMWRGBHIFG-ZETCQYMHSA-N 313.291 -0.370 5 10 DBBE COCCN(CCO)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 164390892 RWKBKSFQZVEPLZ-UHFFFAOYSA-N 319.339 -0.194 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] 316912059 FTUWPPBKLHOKRM-VDTYLAMSSA-N 323.352 -0.788 5 10 DBBE CC(C)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1=O 494725784 DQDALAXTFXLYBO-UHFFFAOYSA-N 310.314 -0.487 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC(=O)N1C 599300002 RRHKFFQRZZSDDU-SSDOTTSWSA-N 317.327 -0.821 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@@H](C(F)(F)F)C1 610067436 LAVXDVDPOMNRLL-ZCFIWIBFSA-N 309.204 -0.024 5 10 DBBE Nc1cc(N2CCN(C(=O)CO)CC2)cc(CO)c1[N+](=O)[O-] 611565189 IGHVINUNKWFZBS-UHFFFAOYSA-N 310.310 -0.690 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@@H](O)[C@@H](CO)C1 1141988992 JJXIULHDSAYJJW-LDYMZIIASA-N 324.289 -0.209 5 10 DBBE Cn1cncc1CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1285545789 SIZSGOMUTKTEFP-JDEDCZITSA-N 321.337 -0.584 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(O)(c2ncnn2C)C1 1303145173 FTYJGBPWICHDOX-UHFFFAOYSA-N 318.293 -0.230 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC(=O)N(C(C)C)C1=O 1445077605 FKCSNYRVEROSJD-VIFPVBQESA-N 323.309 -0.248 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(N)=O)CC2)n1 1635677126 XWRIAMXTZMKRAF-UHFFFAOYSA-N 310.314 -0.946 5 10 DBBE Nc1ncc(C(=O)N2CC(CN3CCOCC3)C2)cc1[N+](=O)[O-] 1636427180 OABZVLAJICLQBZ-UHFFFAOYSA-N 321.337 -0.024 5 10 DBBE C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CCN1S(C)(=O)=O 1642512969 LVJPSMSTHACOGF-QMMMGPOBSA-N 303.344 -0.202 5 10 DBBE CC(C)(CCC(=O)N1CCN(S(N)(=O)=O)CC1)[N+](=O)[O-] 1651012682 QPLNDKUDNPTVCH-UHFFFAOYSA-N 308.360 -0.830 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2C[C@@H](O)C[C@@H]2O)c1 2164982211 SYLULFILMLREIA-QNSHHTMESA-N 303.296 -0.848 5 10 DBBE C[S@](=O)C1CN(S(=O)(=O)c2ccc(N)cc2[N+](=O)[O-])C1 2171958030 XGFKGBTXNHVJKX-IBGZPJMESA-N 319.364 -0.072 5 10 DBBE Cc1ncc([N+](=O)[O-])c(N[C@@H](CS(C)(=O)=O)C(=O)O)n1 2360575338 OEIZUISXPOZUAF-LURJTMIESA-N 304.284 -0.397 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCNC1=O 50661727 NQKULBJHOVOLJQ-VIFPVBQESA-N 314.323 -0.266 5 10 DBBE CCNc1ncnc(NCCNS(C)(=O)=O)c1[N+](=O)[O-] 129206695 NRYWNMCLBGTIQM-UHFFFAOYSA-N 304.332 -0.222 5 10 DBBE C[C@H](O)[C@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131364666 BZCHFRPVLXKDKD-IMTBSYHQSA-N 307.303 -0.280 5 10 DBBE C[C@@H](O)CN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 281478521 FVUVBCIPKZOOMF-NXEZZACHSA-N 311.342 -0.145 5 10 DBBE CCn1cc(S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)c([N+](=O)[O-])n1 360364148 SWGADXVUDSOKBI-QMSLJYSESA-N 302.312 -0.266 5 10 DBBE CS(=O)(=O)N1CC[C@@H](N=c2[nH]c(Cl)ncc2[N+](=O)[O-])C1 400173398 CHFCCAFWXCNYBQ-ZCFIWIBFSA-N 321.746 -0.094 5 10 DBBE CNC(=O)C[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594780433 KEIDYVGUDAFPOZ-SSDOTTSWSA-N 302.312 -0.207 5 10 DBBE CC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC 599255740 JOBJXEPHPGKEIE-LURJTMIESA-N 306.300 -0.442 5 10 DBBE C[C@@H]1CN(c2nc(NN)ccc2[N+](=O)[O-])CCS1(=O)=O 707401394 RCBXKFPQEUZWBN-SSDOTTSWSA-N 301.328 -0.101 5 10 DBBE Cn1cc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)cn1 750763161 MODYYIPIZGLOMJ-UHFFFAOYSA-N 311.279 -0.158 5 10 DBBE O=C1CC2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CN1 1137108481 BRHLPRYFTDYXDE-UHFFFAOYSA-N 308.298 -0.685 5 10 DBBE CN(C)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCOCC1 1328355730 LYDIPTUVKCLWJC-UHFFFAOYSA-N 312.330 -0.587 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@H](O)C(=O)OC)n1 1558863083 CNLPWLBPSNKFRE-QMMMGPOBSA-N 300.271 -0.535 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCN(CC(=O)NC3CC3)CC2)n1 1641995475 GXOUKXZEEYOFNZ-UHFFFAOYSA-N 308.342 -0.271 5 10 DBBE CCn1nc(C)c(CNCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1713591318 JNXWIVHFTCZGBL-ZYHUDNBSSA-N 310.358 -0.180 5 10 DBBE O=C(NC[C@H](O)Cn1ccccc1=O)c1ccc([N+](=O)[O-])cn1 1891181295 TUQZAVAYTJDKOX-NSHDSACASA-N 318.289 -0.058 5 10 DBBE N[C@H]1COC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2149989137 STRXBBSLILPUFO-IUCAKERBSA-N 305.287 -0.262 5 10 DBBE CCNc1ncnc(N[C@@H](C)CS(N)(=O)=O)c1[N+](=O)[O-] 2152950765 ACGVFJGEDKMCKX-LURJTMIESA-N 304.332 -0.095 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)c1ccc([N+](=O)[O-])c(N)c1 2152959885 DIRVOAWECHTCEH-ZCFIWIBFSA-N 302.312 -0.416 5 10 DBBE NC[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2154121260 XYANSSDBNJHXSJ-VXNVDRBHSA-N 302.312 -0.758 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)C[C@]2(O)CNC[C@H]2O)cc1 2157172403 QWOPJZKUJHROTC-GHMZBOCLSA-N 302.308 -0.936 5 10 DBBE COc1ccc([N+](=O)[O-])c(NCCCNS(N)(=O)=O)n1 2157538029 VVSKSDSBOHTNPX-UHFFFAOYSA-N 305.316 -0.407 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(O)(CO)C1 2171959950 NOWNJWOSZZVUMO-UHFFFAOYSA-N 302.308 -0.369 5 10 DBBE CC1(CS(C)(=O)=O)CN(c2nc(=N)[nH]cc2[N+](=O)[O-])C1 2173185804 QWWRRZQWYYZXHK-UHFFFAOYSA-N 301.328 -0.332 5 10 DBBE COc1ncnc(NC2[C@H]3CS(=O)(=O)C[C@H]23)c1[N+](=O)[O-] 2174673329 QMSBKDHFSOUXLI-WDSKDSINSA-N 300.296 -0.152 5 10 DBBE O=C(N[C@]1(C(=O)O)CCSC1)c1cc([N+](=O)[O-])c[nH]c1=O 43508905 VJSNBKZEGMVNGI-LLVKDONJSA-N 313.291 -0.027 5 10 DBBE CS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1[C@H](N)CC(N)=O 44254370 VEFCDAWQNWTXPD-MRVPVSSYSA-N 303.296 -0.192 5 10 DBBE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)CO)c1 90281424 BUKJMCSPZRSZEM-SSDOTTSWSA-N 310.715 -0.120 5 10 DBBE CNC(=O)[C@@H]1COCCN1c1nc(Cl)ncc1[N+](=O)[O-] 234333972 QYCVKTUGUOVGFY-ZETCQYMHSA-N 301.690 -0.011 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(C2COC2)CC1 368584001 RCSMNMFRTTVRID-UHFFFAOYSA-N 307.310 -0.391 5 10 DBBE C[C@@H](O)CN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593595227 DLIMCTJMSMRFAF-MRVPVSSYSA-N 305.312 -0.646 5 10 DBBE C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594765197 UJVWFTXSJLKBMF-DTWKUNHWSA-N 317.323 -0.240 5 10 DBBE CS(=O)(=O)NC[C@@H]1COCCN1c1ncc([N+](=O)[O-])cn1 599185580 SLECNPKBNIKRBM-SECBINFHSA-N 317.327 -0.861 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@H]2CNC[C@@H]2O)cc1[N+](=O)[O-] 699963833 XLGSQYMIRDXRFT-ONGXEEELSA-N 301.324 -0.486 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C)[C@H](CO)C2)n1 1163882567 YAWBXIGVJRLYMS-VIFPVBQESA-N 310.310 -0.111 5 10 DBBE O=[N+]([O-])c1ccnn1CN1CCO[C@@]2(CCS(=O)(=O)C2)C1 1261480358 NMGCVFBVLOWNEU-NSHDSACASA-N 316.339 -0.362 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)nc1 1328688124 AQEMAZZUHOOILZ-UHFFFAOYSA-N 321.336 -0.591 5 10 DBBE CS(=O)(=O)c1ccc(C(=O)Nn2ccnn2)cc1[N+](=O)[O-] 1569397078 CKBRZPXAHJMSPJ-UHFFFAOYSA-N 311.279 -0.026 5 10 DBBE O=C1NCCn2c(CCNc3ccc([N+](=O)[O-])nc3)nnc21 1655848210 RDSQEGQSSAZSMI-UHFFFAOYSA-N 303.282 -0.021 5 10 DBBE CCn1nccc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1738491569 NYQJOMYICFVBDR-YZKQYGISSA-N 321.337 -0.030 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2(CO)CNC2)c(F)c1 1918430126 RZRPHDDNBIHOHI-UHFFFAOYSA-N 305.287 -0.654 5 10 DBBE C[C@H]1CNC[C@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1926061824 YDKZKPXPUYTKTI-NVNXEXLPSA-N 320.103 -0.032 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CCOC[C@@H]1[C@H](O)CO 2146323344 KPXFCDHWNCDMFV-NXEZZACHSA-N 304.324 -0.293 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1N1CC[C@](O)(CO)[C@@H](O)C1 2234100840 NEIWWFKCOUAZIY-KWQFWETISA-N 303.702 -0.062 5 10 DBBE COC(=O)CCNC[C@@H](O)Cn1nc(C)c([N+](=O)[O-])c1C 69369586 WBATZPCQSUJNHW-SNVBAGLBSA-N 300.315 -0.078 5 10 DBBE NNc1sc(S(=O)(=O)Nc2nnns2)cc1[N+](=O)[O-] 127646488 NMRFZNNZAUYVCG-UHFFFAOYSA-N 323.341 -0.011 5 10 DBBE O=C1C[C@H](NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CN1 229204474 HBRCNIBEMIWKGE-LURJTMIESA-N 301.280 -0.533 5 10 DBBE CN(C)C(=O)CCN1CCN(c2ncc([N+](=O)[O-])cn2)CC1 273906053 IGYJZGFSGPQDCV-UHFFFAOYSA-N 308.342 -0.015 5 10 DBBE C/C=C/C[C@@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599281156 HOHGQHDVVSNBOT-RTMURIBGSA-N 304.328 -0.066 5 10 DBBE O=C(O)[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 715284608 KXOZKXUTAYVSSL-SVRRBLITSA-N 301.280 -0.011 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)[C@@H](C)COC)n1 755780183 TXLUTKCWPRCYNG-ZETCQYMHSA-N 320.327 -0.094 5 10 DBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cn3cc([N+](=O)[O-])cn3)C[C@@H]12 853570379 NBVOHCZFEFPLHS-AXFHLTTASA-N 316.339 -0.507 5 10 DBBE COC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCCOC1 1133847126 FOLDQLSBTTYDLD-UWVGGRQHSA-N 313.314 -0.256 5 10 DBBE Cc1nc2n(n1)CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2 1294245785 DZOJMWQUUFAQGT-UHFFFAOYSA-N 318.293 -0.301 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@H](CO)C2)nc1 1326779000 RBRXKWIKOWUAMU-WCBMZHEXSA-N 317.323 -0.646 5 10 DBBE Cc1[nH]nc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1[N+](=O)[O-] 1468749192 AWVGFXCHAYIZPD-HTQZYQBOSA-N 309.282 -0.644 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1csnn1 1533490910 DLMVHMOSHFHWLA-NRGCHRPYSA-N 311.323 -0.395 5 10 DBBE CCS(=O)(=O)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1584747262 FNMOWOPNPZIJIZ-UHFFFAOYSA-N 317.323 -0.693 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC(O)(c3nccn3C)C2)n1 1643445181 NNAXJMKLOKACCQ-UHFFFAOYSA-N 320.309 -0.112 5 10 DBBE Cn1ncc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)n1 1666759838 MCRUEGYQYQRVNU-VXGBXAGGSA-N 322.369 -0.001 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNCc1cnsn1 1672617241 TWXIDLKJHVEVHO-NXEZZACHSA-N 315.355 -0.886 5 10 DBBE O=C1[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CCCN1CCO 337875829 QMCJBXSSHBRNIB-SECBINFHSA-N 320.309 0.033 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC[C@@H](O)C2)cn1 400361411 YFYQVURCTCBKCK-QMMMGPOBSA-N 303.296 -0.628 5 10 DBBE O=C(C[S@](=O)C[C@H](O)CO)Nc1cccc([N+](=O)[O-])c1 526883477 CJISODXOJZEHQT-CFMSYZGJSA-N 302.308 -0.365 5 10 DBBE COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H](C)O1 593504009 PHAJQQGIKLFKON-XVKPBYJWSA-N 324.293 -0.145 5 10 DBBE CCNC(=O)[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594745545 VKVCAMBJMXSDOX-SSDOTTSWSA-N 302.312 -0.207 5 10 DBBE CNS(=O)(=O)CCCNC(=O)c1cc([N+](=O)[O-])cnc1C 600665374 MBOPTSALQJWCRM-UHFFFAOYSA-N 316.339 -0.033 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncnc(F)c1[N+](=O)[O-] 701521936 NUWIEPKIRKAAOV-WDSKDSINSA-N 306.275 -0.252 5 10 DBBE O=C(NC[C@@H]1CNC[C@@H]1O)c1cc([N+](=O)[O-])cnc1Cl 702813686 NDTNYKDIYDQUSB-RCOVLWMOSA-N 300.702 -0.047 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCC[C@H]2C(N)=O)n1 1118946445 BCHMEFBEQNZVKV-VIFPVBQESA-N 324.341 -0.602 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN(C)CCN2C)n1 1146377160 UKDCJGYKCQGRAZ-JTQLQIEISA-N 310.358 -0.213 5 10 DBBE C[C@H]1C(=O)N(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C(=O)N1C 1148187951 UEOHQGBEFCMBGP-OIBJUYFYSA-N 322.277 -0.058 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(=O)NCC12COC2 1439046451 IDJBQUXWIHWRSF-UHFFFAOYSA-N 323.309 -0.783 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC(O)(CO)CC1 1469922054 WTKWUPZLCICPBK-UHFFFAOYSA-N 311.294 -0.898 5 10 DBBE COC[C@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(N)=O 1535886767 OWMRZMVKEJGWCA-QMMMGPOBSA-N 315.257 -0.027 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CC3(C2)NC(=O)NC3=O)c1 1652323374 CQJZPAXTYHMSMT-UHFFFAOYSA-N 320.261 -0.220 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cc[nH]n1 1687462450 RAAXWALZLSZECQ-GHMZBOCLSA-N 309.326 -0.418 5 10 DBBE C[C@H]1C[C@@](C(=O)O)(n2cnc([N+](=O)[O-])n2)CCS1(=O)=O 2151692221 PHIXBPHWVBYBSI-RCOVLWMOSA-N 304.284 -0.437 5 10 DBBE NNc1sc(S(=O)(=O)N2CC(CCO)C2)cc1[N+](=O)[O-] 2152301941 LEFVOGOWHCYTIQ-UHFFFAOYSA-N 322.368 -0.055 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2COC[C@@H]2O)c1 2154109512 SEKRQEFVBHBCBZ-KWQFWETISA-N 302.308 -0.120 5 10 DBBE Cc1nc(Cn2nc([N+](=O)[O-])c(S(N)(=O)=O)c2C)n[nH]1 2156814540 XKTWXNRRMDYKBN-UHFFFAOYSA-N 301.288 -0.778 5 10 DBBE CCCn1nc(C)c([N+](=O)[O-])c1NCCNS(N)(=O)=O 2157533219 BKSNMKDCTJZJCK-UHFFFAOYSA-N 306.348 -0.285 5 10 DBBE C[C@@H]1C[C@@H](CN=c2nc([N+](=O)[O-])[nH]n2C)CCS1(=O)=O 2161425827 ZNIBUWDCSWRNMB-SFYZADRCSA-N 303.344 -0.230 5 10 DBBE CSC1(C(=O)O)CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 2362127575 NROQRRHEKZBPML-UHFFFAOYSA-N 300.296 -0.030 5 10 DBBE CS(=O)(=O)CCOc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 38085739 DDSWMHHMVQUNIK-UHFFFAOYSA-N 324.336 -0.334 5 10 DBBE NNc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 54415497 ZVVZLHWEJIMXFB-MRVPVSSYSA-N 314.323 -0.203 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCNCC2)cn1 70302453 IJFOHZWJCJABEE-UHFFFAOYSA-N 315.355 -0.827 5 10 DBBE CNc1ncc([N+](=O)[O-])c(NCCCCS(N)(=O)=O)n1 312612559 GHXBKSUSMVZDPG-UHFFFAOYSA-N 304.332 -0.093 5 10 DBBE CNS(=O)(=O)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 339249380 SOLADSRIEPXBFD-UHFFFAOYSA-N 314.323 -0.462 5 10 DBBE COC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 490687145 DWNUZFIBIDHFLX-UHFFFAOYSA-N 309.282 -0.023 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCNC(=O)C2(C)C)n1 858962170 LOGDAKRSSBTZRX-UHFFFAOYSA-N 317.327 -0.773 5 10 DBBE NS(=O)(=O)C[C@@H]1CCN(c2ccnc(O)c2[N+](=O)[O-])C1 1164270676 LFVCQCPBAVOXOK-SSDOTTSWSA-N 302.312 -0.190 5 10 DBBE CN1CCC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 1299190318 QNPOGTZTIRCIOA-VXGBXAGGSA-N 324.381 -0.242 5 10 DBBE CC(C)(CCC(=O)N1CCN(S(C)(=O)=O)CC1)[N+](=O)[O-] 1351061775 FATMWJNXSHAJPZ-UHFFFAOYSA-N 307.372 -0.074 5 10 DBBE O=C1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1 1639492211 YBQOMTPQDVCZPX-SECBINFHSA-N 308.294 -0.459 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 1639934264 KUGWMQQFVPWRIQ-LBPRGKRZSA-N 322.281 -0.858 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CC2(C[C@H](O)CNC2=O)C1 1645226236 CCLORBKJBOZNPH-ZETCQYMHSA-N 311.319 -0.021 5 10 DBBE CN(C)C(=O)c1c[nH]nc1NC(=O)Cn1ccc([N+](=O)[O-])n1 1651635197 VVNYXKCNAFKECJ-UHFFFAOYSA-N 307.270 -0.145 5 10 DBBE COCC(=O)NCC1(O)CN(Cc2csc([N+](=O)[O-])c2)C1 1699908220 HCVVGENSOSDWIM-UHFFFAOYSA-N 315.351 -0.034 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cccnn1 1743456075 ITSOWBXOGLSQJU-MWLCHTKSSA-N 307.310 -0.280 5 10 DBBE Cn1cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc([N+](=O)[O-])c1=O 1889912197 HVJUZGDXJNOJQX-VIFPVBQESA-N 320.305 -0.213 5 10 DBBE NS(=O)(=O)NCCCN=c1[nH]c(Cl)ncc1[N+](=O)[O-] 2101331822 NRGFYCFAMJJOIW-UHFFFAOYSA-N 310.723 -0.945 5 10 DBBE NS(=O)(=O)c1n[nH]c(=NC(=O)c2ccc([N+](=O)[O-])[nH]2)s1 2146477848 GWXRGLJXDRAAQR-UHFFFAOYSA-N 318.296 -0.904 5 10 DBBE C[C@H](C(=O)NC1CC1)n1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156815930 JXZPRIBJEBMPKA-RXMQYKEDSA-N 303.300 -0.722 5 10 DBBE COC1(CNS(=O)(=O)c2cncc([N+](=O)[O-])c2)CNC1 2157886877 XGHAVXDFPWWXST-UHFFFAOYSA-N 302.312 -0.744 5 10 DBBE COC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])s1 2233866210 OVAGMWUXZRXLBN-BRDIYROLSA-N 302.308 -0.151 5 10 DBBE O=Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CS(=O)(=O)C[C@H]1O 37693046 RKRRVKKSPICWJO-MWLCHTKSSA-N 301.276 -0.056 5 10 DBBE NC(=O)[C@@]1(O)CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 276396200 FTFNJHQYTFHBKJ-CQSZACIVSA-N 320.305 -0.094 5 10 DBBE NC(=O)CN1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 280991725 LWDREYATNCGZLM-UHFFFAOYSA-N 308.294 -0.457 5 10 DBBE C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)CN1CCOCC1 349145426 FINXTKDZDDCULR-JTQLQIEISA-N 312.330 -0.729 5 10 DBBE CCO[C@@H](CCN(C)C)CNC(=O)Cn1cnc([N+](=O)[O-])n1 440652908 YWKISWSGUSEBRD-JTQLQIEISA-N 314.346 -0.341 5 10 DBBE CN(CCOCCN)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 698521575 NBYJOUVXOSMUDC-UHFFFAOYSA-N 304.328 -0.414 5 10 DBBE C[C@@H]1CN(c2cc([N+](=O)[O-])cc(NN)n2)CCS1(=O)=O 707274065 GFHIEHHWESLKDF-SSDOTTSWSA-N 301.328 -0.101 5 10 DBBE NC(=O)C1(O)CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 1150111391 NXETYWXDODJLLD-UHFFFAOYSA-N 318.289 -0.392 5 10 DBBE NC(=O)N[C@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 1295898726 CQDLQXSOLPCREA-ONGXEEELSA-N 308.294 -0.103 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(CCO)C[C@@H]1C 1629799037 QOPRHXYNFGWNRA-JTQLQIEISA-N 311.342 -0.375 5 10 DBBE CN1CC2(CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)OC1=O 1642814830 ILZXLHVLPVFRTK-UHFFFAOYSA-N 307.266 -0.271 5 10 DBBE C[C@@H]1CN(C(=O)Cn2ccc(N)c([N+](=O)[O-])c2=O)C[C@@H](C)O1 1644077626 YSHDLACLBYMBDZ-RKDXNWHRSA-N 310.310 -0.026 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cccnn1 1759888490 QNKIZYAIPVZEQF-PSASIEDQSA-N 305.294 -0.480 5 10 DBBE N=C(N)NCCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1O 1866115410 HBGIRSWMOUKNRS-MRVPVSSYSA-N 310.314 -0.171 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N=[S@](C)(=O)[C@@H]1CCNC1 2186529722 UXWQESAOMADZAA-JLPJYYFKSA-N 301.328 -0.072 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CO)CNC2)c1 2201717131 JGOFCKZKBHVAMS-UHFFFAOYSA-N 301.324 -0.545 5 10 DBBE C[C@@H]1CN(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)CCN1 2202442733 LSOGNUIZNWUJCD-MRVPVSSYSA-N 301.328 -0.060 5 10 DBBE O=C(CN1CC([N+](=O)[O-])C1)CN1C(=O)c2ccccc2C1=O 2209009983 JQQYQJPVGWWFAV-UHFFFAOYSA-N 303.274 -0.187 5 10 DBBE COCc1ncc([N+](=O)[O-])c(SCCS(N)(=O)=O)n1 2271184936 CNWIWPUUZLRWLI-UHFFFAOYSA-N 308.341 -0.088 5 10 DBBE C[P@@]1(=O)C[C@@H](O)[C@H](Nc2ncnc(NN)c2[N+](=O)[O-])C1 2355681628 RPWPLAQOUQULQQ-DOIIRXIXSA-N 302.231 -0.182 5 10 DBBE O=[N+]([O-])c1c(N2CCN(CCO)CC2)ncnc1-n1ccnc1 40613553 OPRHCZMLACARFC-UHFFFAOYSA-N 319.325 -0.315 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)NN1CCOCC1 150120918 XZJOBAGTJKARFF-UHFFFAOYSA-N 302.312 -0.298 5 10 DBBE CC(C)(C)N1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1=O 350560164 SUGFNVPDHGSQRX-MRVPVSSYSA-N 310.314 -0.298 5 10 DBBE COC(=O)CCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599216472 QQTIOHSWITWGRL-UHFFFAOYSA-N 306.300 -0.488 5 10 DBBE CNC(=O)CN(C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 721698811 BARPQTHGAJOIQJ-UHFFFAOYSA-N 302.312 -0.457 5 10 DBBE Cn1c(COC(=O)c2ccc([N+](=O)[O-])cn2)cc(=O)n(C)c1=O 761981500 DTDCENIWZQJSGM-UHFFFAOYSA-N 320.261 -0.256 5 10 DBBE C[C@@H](CS(=O)(=O)N(C)C)OC(=O)Cn1ccc([N+](=O)[O-])n1 861154404 DLWOYWJQOFCSTA-QMMMGPOBSA-N 320.327 -0.386 5 10 DBBE Nc1c(C(=O)N2CC3(C[C@@H](O)CNC3=O)C2)cccc1[N+](=O)[O-] 1303533492 NZVCBJLEBLTARJ-MRVPVSSYSA-N 320.305 -0.500 5 10 DBBE CCN1CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1=O 1335742206 ZROCPQYINWWDMX-VIFPVBQESA-N 308.294 -0.507 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CS(C)(=O)=O)n1 1337827683 DOBNRPOSDHJAIO-UHFFFAOYSA-N 304.328 -0.119 5 10 DBBE Cc1[nH]nc(Cl)c1C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1491282722 KYICGUHALDUEKD-RNFRBKRXSA-N 315.717 -0.117 5 10 DBBE Cc1ccnn1CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1535255148 SDOUKSOLRQUHHX-GHMZBOCLSA-N 321.337 -0.378 5 10 DBBE NS(=O)(=O)NC1CN(c2c(Cl)cncc2[N+](=O)[O-])C1 1559257687 BZVCDKGRZLRBDE-UHFFFAOYSA-N 307.719 -0.375 5 10 DBBE CN(C)C(=O)Cn1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cn1 1565560428 ZFVNZWFIVXNPFQ-UHFFFAOYSA-N 321.297 -0.135 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(CCCO)C2)n1 1636936432 DSURUTJCDBCYBS-JTQLQIEISA-N 311.342 -0.095 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCc1cnccn1 1637531301 SGGMWMAUMYJHCP-UHFFFAOYSA-N 303.278 -0.095 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1ccccc1=O 1737726261 QFEUARXCYDZYLQ-GHMZBOCLSA-N 322.321 -0.912 5 10 DBBE CN(CCCNC(=O)CCn1ccnn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1743437478 DVKYVFWRWREDLW-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE NCc1ccc(O[C@@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c1 37700894 KJQMZOCXYHHTFH-GXSJLCMTSA-N 302.308 -0.410 5 10 DBBE O=C(O)CN(CC(=O)O)C(=O)CCn1cnc([N+](=O)[O-])c1 110968741 WWUFURSNQXCAOG-UHFFFAOYSA-N 300.227 -0.821 5 10 DBBE CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 123011232 PYZRGEJOAPJSKB-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE CC[C@H](CO)N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 128153634 SNIHAIMWRGFRHN-SNVBAGLBSA-N 311.342 -0.143 5 10 DBBE COC[C@H](OC)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 850879677 UYERHFFOLFEWGS-QMMMGPOBSA-N 319.295 -0.544 5 10 DBBE CN1CC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 1299743419 GZDPRYGRMAXJFB-SNVBAGLBSA-N 322.321 -0.259 5 10 DBBE CS(=O)(=O)CCCNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1499221934 WKTBKHRFBZZXEZ-NXEZZACHSA-N 319.383 -0.675 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCc1nncn1C 1543139557 KYGCBLPGJLKPMO-UHFFFAOYSA-N 307.314 -0.023 5 10 DBBE NC(=O)N1CCC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 1556881524 RZNBUHYGYFXUDT-SECBINFHSA-N 310.314 -0.302 5 10 DBBE CN1CCC(O)(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1566035185 AKHYXSGDHGJSLR-UHFFFAOYSA-N 309.326 -0.242 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1635646854 WIAIOMUYZXKQBQ-NSHDSACASA-N 317.323 -0.787 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](CO)[C@H]1CO 1659623260 XTVRTVBQODJCPJ-WCQYABFASA-N 311.338 -0.178 5 10 DBBE CN(C)S(=O)(=O)C[C@@H](N1CC([N+](=O)[O-])C1)C(F)(F)F 1884243906 CRVPCWMOFBRRAL-SSDOTTSWSA-N 305.278 -0.230 5 10 DBBE CN(C1COC1)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 1915674792 VCKHSVOYIVNTCB-UHFFFAOYSA-N 302.312 -0.100 5 10 DBBE COCCS(=O)(=O)CCN=c1[nH]c(Cl)ncc1[N+](=O)[O-] 2204673222 DOTDMPVPBPSZFC-UHFFFAOYSA-N 324.746 -0.067 5 10 DBBE COCCS(=O)(=O)CCN=c1[nH]c(F)ncc1[N+](=O)[O-] 2204674771 RMYDXRVRYIZPBA-UHFFFAOYSA-N 308.291 -0.581 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]2[C@@H](O)CO)cc1 2286210826 MWCOGJXQMHWUQW-QWRGUYRKSA-N 302.308 -0.289 5 10 DBBE CCc1ncc([N+](=O)[O-])c(=NCCCCS(N)(=O)=O)[nH]1 2286672529 SIHWCNITTKFBLU-UHFFFAOYSA-N 303.344 -0.150 5 10 DBBE CN=c1[nH]c(NN(C)S(=O)(=O)C(C)C)ncc1[N+](=O)[O-] 2365286450 KLKLEVSIWCJKJR-UHFFFAOYSA-N 304.332 -0.155 5 10 DBBE Nc1ccc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] 79937909 NTTDCZYFWDBTPI-ZETCQYMHSA-N 314.323 -0.266 5 10 DBBE COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCCNC(C)=O 170357663 LIESSTNFGVXPSH-UHFFFAOYSA-N 324.293 -0.206 5 10 DBBE CCNS(=O)(=O)CCNc1cc([N+](=O)[O-])cc(NN)n1 231021207 DZKLCGYTBBNSBB-UHFFFAOYSA-N 304.332 -0.373 5 10 DBBE CN(C(CO)CO)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 313603009 BLYAPVAUJMKWTM-UHFFFAOYSA-N 308.287 -0.292 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)c1cc([N+](=O)[O-])ccc1N 719724622 PTXLOLYXLUNCQU-UHFFFAOYSA-N 302.312 -0.463 5 10 DBBE NS(=O)(=O)NC1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 1150087658 QHDPMFPUPVJPPC-UHFFFAOYSA-N 318.286 -0.649 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(S(N)(=O)=O)CCC1 1155543087 UTDJTNAMTIRSRT-UHFFFAOYSA-N 316.339 -0.126 5 10 DBBE CC(C)(C)NC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1266591314 GOKFZQSSWXGOCM-GWOFURMSSA-N 312.370 -0.197 5 10 DBBE CC[C@@H]1C(=O)NCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1289172175 MKTLAYUXHUSUAO-LLVKDONJSA-N 322.321 -0.116 5 10 DBBE CCN(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1297047705 UWIXGBZLTICQJF-GHMZBOCLSA-N 312.370 -0.291 5 10 DBBE O=C(Cc1cnc[nH]1)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1529881487 TZGMIEVLYLASHI-VXGBXAGGSA-N 321.337 -0.275 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCS(=O)(=O)CCO1 1539993846 UOXOGSHVQTUNKV-UHFFFAOYSA-N 318.311 -0.712 5 10 DBBE C[S@](=N)(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 1633980375 DKCQVNGYJPUFFZ-HXUWFJFHSA-N 302.316 -0.333 5 10 DBBE Cn1cc(C(=O)NCC2(O)CCOCC2)cc([N+](=O)[O-])c1=O 1890825829 ITNWVRIZRNRQBF-UHFFFAOYSA-N 311.294 -0.435 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2CNCCOC2)c1 2152199170 YMUMHSIHBXWKOZ-MRVPVSSYSA-N 302.312 -0.744 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)[C@@H](N)CO1 2165825272 LHOUSJRLCYHETG-VXNVDRBHSA-N 302.312 -0.316 5 10 DBBE Cc1nc(NN)nc(N2CC[S@](=O)C[C@@H]2C)c1[N+](=O)[O-] 2171986229 WPBBJMBDBPIPNR-SVPXGXJHSA-N 300.344 -0.064 5 10 DBBE O=C1NC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])nc2)O1 2186495651 JGOIACIZPVVWJI-ZCFIWIBFSA-N 302.268 -0.624 5 10 DBBE CNC(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 75613419 GYQCCDCARQIVJF-GFCCVEGCSA-N 311.342 -0.390 5 10 DBBE Nc1sc(S(=O)(=O)NCC(=O)NC2CC2)cc1[N+](=O)[O-] 125443403 BNQDLHRMFLIGJA-UHFFFAOYSA-N 320.352 -0.205 5 10 DBBE Nc1cc(S(=O)(=O)N[C@H]2CCCNC2=O)ccc1[N+](=O)[O-] 132033316 GZJWZKWSGPQOCZ-VIFPVBQESA-N 314.323 -0.266 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC[C@@H](CO)C2)cc1[N+](=O)[O-] 167833182 UTMNOWFDBBZCPB-MRVPVSSYSA-N 316.339 -0.117 5 10 DBBE Cc1nc(NN)nc(N[C@@H](C)CS(C)(=O)=O)c1[N+](=O)[O-] 235121128 NIDQJDHAVWINNT-YFKPBYRVSA-N 304.332 -0.176 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593549245 SJEBTDDIDVMTOM-MRVPVSSYSA-N 300.296 -0.501 5 10 DBBE CN(C)C(=O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594754744 CCRUBSLTBDLBID-UHFFFAOYSA-N 302.312 -0.254 5 10 DBBE CN(C)C(=O)N(C)[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 596517959 GTENVOMHELDJAI-QMMMGPOBSA-N 309.330 0.159 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@]1(OCCO)CCOC1 598000709 ZGDGCLXEFMRHEN-LBPRGKRZSA-N 314.298 -0.925 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCOC3)CC2)n1 611335212 YXZNVJNHOKZHCE-SNVBAGLBSA-N 309.326 -0.125 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(S(N)(=O)=O)C2)n1 1299239437 FEFIRLJHWZIACA-UHFFFAOYSA-N 300.296 -0.589 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NCc1cscn1 1322204314 JCSAZIXHNOWLQD-UHFFFAOYSA-N 324.322 -0.320 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC2(CO)COC(C)(C)OC2)n1 1328676889 QPOJETHTQRQVBG-UHFFFAOYSA-N 314.298 -0.428 5 10 DBBE Cc1nn(C)c(C(=O)NCCCS(C)(=O)=O)c1[N+](=O)[O-] 1472492780 ZGWQICPHGGAFEX-UHFFFAOYSA-N 304.328 -0.199 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccn(C)n1 1737798054 QWFYMOFNSOQBRT-MWLCHTKSSA-N 309.326 -0.336 5 10 DBBE CCN(CCNC(=O)CCn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1745283364 WYSBOUABEOBDJF-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NC1(CO)CNC1 1918430065 QTOPNPIBHNBKIZ-UHFFFAOYSA-N 305.287 -0.654 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H](O)CO 1963039951 NTWFHTRDIFEWNB-JTQLQIEISA-N 304.324 -0.075 5 10 DBBE C[C@H](N=c1cc([N+](=O)[O-])cc(NN)[nH]1)C1CS(=O)(=O)C1 2146101124 UDESTLSRLCSQDI-LURJTMIESA-N 301.328 -0.458 5 10 DBBE N[C@@H]1COC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2149987828 LKEUHFLFWHKCAJ-HTQZYQBOSA-N 305.287 -0.262 5 10 DBBE O=C(O)C1(NS(=O)(=O)c2cncc([N+](=O)[O-])c2)COC1 2153522828 INOWVFFRTALSGN-UHFFFAOYSA-N 303.252 -0.878 5 10 DBBE NS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2157533465 CXZGPZORYPKKSO-UHFFFAOYSA-N 305.272 -0.292 5 10 DBBE CN=c1[nH]c(N2CCS(=O)(=O)CCO2)ncc1[N+](=O)[O-] 2157680339 MTVFAUXDPYFFIV-UHFFFAOYSA-N 303.300 -0.985 5 10 DBBE COc1ncnc(N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1[N+](=O)[O-] 2174662360 QMSBKDHFSOUXLI-ZMONIFLSSA-N 300.296 -0.152 5 10 DBBE Nc1c([N+](=O)[O-])ccc(O[C@H]2CS(=O)(=O)C[C@H]2N)c1F 2184668809 CSQSMJKCDSEQHX-XRGYYRRGSA-N 305.287 -0.181 5 10 DBBE O=C1NC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])nc2)O1 2186495650 JGOIACIZPVVWJI-LURJTMIESA-N 302.268 -0.624 5 10 DBBE CN(C)S(=O)(=O)C1CN(c2ccc(N)c([N+](=O)[O-])n2)C1 2187314892 SOVMCVCYKHYPAK-UHFFFAOYSA-N 301.328 -0.348 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1Nc1cc([N+](=O)[O-])cc(=N)[nH]1 2207464057 DZYFNOPWGASEDP-YUMQZZPRSA-N 302.312 -0.374 5 10 DBBE O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@](O)(CO)[C@H](O)C1 2234107379 QRHNDPLHSHYPIV-MWLCHTKSSA-N 303.702 -0.062 5 10 DBBE Cc1cc(=N[C@@H](CS(C)(=O)=O)C(=O)O)c([N+](=O)[O-])c[nH]1 2360624546 MDTXEOCWZFHJGT-QMMMGPOBSA-N 303.296 -0.370 5 10 DBBE NNc1ccc(S(=O)(=O)Nc2nnns2)c([N+](=O)[O-])c1 127644417 XENLFBZGWHGGQD-UHFFFAOYSA-N 317.312 -0.072 5 10 DBBE NC(=O)OCCNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F 135279250 TXWANHLNSLOLJT-UHFFFAOYSA-N 322.274 -0.310 5 10 DBBE COCCN(CCO)S(=O)(=O)c1cncc([N+](=O)[O-])c1 312697906 CXHZWVTWGAEKCG-UHFFFAOYSA-N 305.312 -0.381 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1 323475763 YXAKGVBWQVRQHG-VXNVDRBHSA-N 303.296 -0.785 5 10 DBBE COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCO1 343590480 WLUAGSXRMNFUJE-VIFPVBQESA-N 310.266 -0.533 5 10 DBBE CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593609095 PVJZIUWCOHKQRU-SNVBAGLBSA-N 319.339 -0.258 5 10 DBBE Cn1cc([N+](=O)[O-])c(NCC[C@@H]2CNCCS2(=O)=O)n1 721807813 PVHJLJLTILMWKG-MRVPVSSYSA-N 303.344 -0.483 5 10 DBBE N[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 721961748 MFGAPYUDONXCSU-BDAKNGLRSA-N 301.324 -0.011 5 10 DBBE C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)S1=O 1116747097 FFNVJDMNYJDGDH-HTQZYQBOSA-N 301.328 -0.446 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@H](O)[C@@H](CO)C1 1141988990 JJXIULHDSAYJJW-KCJUWKMLSA-N 324.289 -0.209 5 10 DBBE COC(=O)c1cc(C(=O)N2C[C@@H](O)[C@H](CO)C2)cc([N+](=O)[O-])c1 1161337266 YSEDYLOZTQGXTK-CMPLNLGQSA-N 324.289 -0.193 5 10 DBBE COCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc[nH]1 1288245095 HZWLEKHALRCSJN-ZYHUDNBSSA-N 324.337 -0.115 5 10 DBBE CN(C)C[C@@]1(O)CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 1455057345 RCUIUZLXILLSSU-ZDUSSCGKSA-N 309.326 -0.289 5 10 DBBE CNC(=O)CN1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 1456042755 YMYJGIDDBBOAOI-UHFFFAOYSA-N 324.341 -0.778 5 10 DBBE COC(OC)C(=O)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 1651436071 FBCIQMFHHWLAAP-UHFFFAOYSA-N 311.298 -0.348 5 10 DBBE O=C(CCn1cncn1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1688011022 NHIVPSYVPLZGQA-GWOFURMSSA-N 322.325 -0.903 5 10 DBBE COCCN(CCNC(=O)C(N)=O)Cc1ccc([N+](=O)[O-])cc1 1701002542 AFVVLTZRSRDFPK-UHFFFAOYSA-N 324.337 -0.355 5 10 DBBE CCn1nccc1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758925475 FASFIQLYZAUWMO-MWLCHTKSSA-N 309.326 -0.244 5 10 DBBE CCn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCN1CC2 1851089005 MGWSVHIQFZNPMZ-SNVBAGLBSA-N 308.342 -0.459 5 10 DBBE O=C1NOC[C@H]1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2148982156 REPGJWRFRRHKJO-SSDOTTSWSA-N 305.243 -0.558 5 10 DBBE Cc1cnn(C)c1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2154306070 BVPGTZYPBMTSRA-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE NC(=O)C1(NS(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 2159808196 WBRGUGDRQNFACT-UHFFFAOYSA-N 300.296 -0.527 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CO)[C@H](C)O 2174118223 FTJCZOXBNZICPQ-WPRPVWTQSA-N 304.324 -0.077 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCC(CO)CO)cn1 2184374990 MKZFNHJQACOBSI-UHFFFAOYSA-N 305.312 -0.741 5 10 DBBE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1c1c(Cl)cncc1[N+](=O)[O-] 2200857150 HVMKRQMKGYGTDT-CNUIFLNQSA-N 303.658 -0.362 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NC[C@@H](O)CO)c1F 2235868060 DQGRPIOBJLQGKK-RXMQYKEDSA-N 312.250 -0.496 5 10 DBBE NCc1ccc(O[C@@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1 37700896 KJQMZOCXYHHTFH-MWLCHTKSSA-N 302.308 -0.410 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC[C@H](O)C2)c([N+](=O)[O-])c1 61712735 HVQNVNDHLMPLNG-QMMMGPOBSA-N 302.312 -0.364 5 10 DBBE Nc1ncc(S(=O)(=O)N2CCCNCC2)cc1[N+](=O)[O-] 62431609 HBFVUUUAAUDPTF-UHFFFAOYSA-N 301.328 -0.444 5 10 DBBE COCC(=O)Nn1c(=O)c(C)nn2c(=O)c3ccccc3nc12 96623539 MRAFWUOUHLGLIE-UHFFFAOYSA-N 315.289 -0.571 5 10 DBBE NS(=O)(=O)CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1F 228624098 BAMCRCSWCLUVEG-UHFFFAOYSA-N 309.250 -0.109 5 10 DBBE CN(CC(=O)NC[C@@H]1CNC[C@@H]1O)c1ccccc1[N+](=O)[O-] 262129456 GHWDCYBCOLKJEW-GWCFXTLKSA-N 308.338 -0.273 5 10 DBBE CNc1sc(S(=O)(=O)N[C@H]2COC[C@H]2O)cc1[N+](=O)[O-] 323409872 MDHWKROHMPKJNA-CAHLUQPWSA-N 323.352 -0.264 5 10 DBBE CCN1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 361423037 AADKWJJFSAPAPO-UHFFFAOYSA-N 320.305 -0.027 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN([C@H]2CCOC2)CC1 372933138 YLCFQSYROSQWCY-JTQLQIEISA-N 321.337 0.000 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 594797489 YJBZSQCSWIMGHD-FZIOLRSQSA-N 317.348 -0.116 5 10 DBBE O=C1CN=C(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)N1 608984926 CTCUWEJWHDNBBS-UHFFFAOYSA-N 306.234 -0.418 5 10 DBBE CS(=O)(=O)N1CCN(c2nc(F)ncc2[N+](=O)[O-])CC1 689035076 VCTKOANNESFOHX-UHFFFAOYSA-N 305.291 -0.395 5 10 DBBE CN(CCC(N)=O)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 721794317 DRGOCLVVVLSCEW-UHFFFAOYSA-N 302.312 -0.327 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OCCOC[C@@H]1CCCO1 741316508 CAVZWMAFUYWREM-VIFPVBQESA-N 300.271 -0.075 5 10 DBBE O=C(NCc1nnc2n1CCNC2=O)c1ccc([N+](=O)[O-])cc1 1133176859 KKLFVKLVAVYMKL-UHFFFAOYSA-N 316.277 -0.140 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cc(O)nc(S)n1 1583368364 BGFFEBHXGRXIME-UHFFFAOYSA-N 310.295 -0.108 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCS(=O)(=O)C1 1625574572 KPIFDMPCFOHSST-MRVPVSSYSA-N 316.339 -0.117 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2[C@@H]1CCCN2CCO 1648401884 DUIKUWQATUKRNZ-RYUDHWBXSA-N 323.353 -0.151 5 10 DBBE Nc1nc(N2CC[C@@H](CS(N)(=O)=O)C2)ccc1[N+](=O)[O-] 2144390463 SXJQWFVEOBJIDT-SSDOTTSWSA-N 301.328 -0.313 5 10 DBBE NC[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 2153168568 QVEPNPYGVDDXDC-SNVBAGLBSA-N 301.324 -0.057 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1Nc1ncnc(F)c1[N+](=O)[O-] 2207471783 RMOLTEMJFGFMBT-NTSWFWBYSA-N 306.275 -0.252 5 10 DBBE C[C@@](O)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 90287694 YPHHGQWGUUOGCG-JTQLQIEISA-N 308.287 -0.245 5 10 DBBE NC(=O)[C@]1(O)CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 276674358 VGGOXDPAGDQKQS-ZDUSSCGKSA-N 309.278 -0.578 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1Cc1ccn(C)n1 312719277 GIVBPYCPRGQSSV-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 427925441 UMFUYPNBJOUULZ-ZJUUUORDSA-N 323.309 -0.217 5 10 DBBE CN1C(=O)C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594782776 ZONCXUMYKCWVRW-ZCFIWIBFSA-N 314.279 -0.975 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCCN2)nc1 599107653 QNVZVTDWSQSJAB-MRVPVSSYSA-N 302.312 -0.744 5 10 DBBE CO[C@]1(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)CCOC1 692845434 HXMWHVYMLQGYSG-VIFPVBQESA-N 306.300 -0.756 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(CO)(CO)C2)c1 721494416 QPFJZRQRLKTAQR-UHFFFAOYSA-N 302.308 -0.430 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)n1 772055313 DIZAEUGKVJKOTH-UHFFFAOYSA-N 323.265 -0.917 5 10 DBBE COc1nc(NC2CN(S(C)(=O)=O)C2)ncc1[N+](=O)[O-] 1157437116 ALIOSNZRKHHVAY-UHFFFAOYSA-N 303.300 -0.551 5 10 DBBE CS(=O)(=O)CCNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1280480229 GQVIPKXVWSSBML-NXEZZACHSA-N 319.383 -0.675 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1319718387 RTLIHRXZJSXBFD-ZCFIWIBFSA-N 303.300 -0.918 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)n1 1328639288 NUDIUCDEDVXBPS-SSDOTTSWSA-N 317.327 -0.908 5 10 DBBE C[C@@]12CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O 1471029691 HZXGODCZWOWYHX-TXEJJXNPSA-N 307.266 -0.557 5 10 DBBE Cn1cc(CCN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1480356631 KXMUBABYFQHKPW-CHWSQXEVSA-N 307.354 -0.228 5 10 DBBE CCNS(=O)(=O)[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 1559689019 HGAAUPCPCDCISG-SNVBAGLBSA-N 317.371 -0.158 5 10 DBBE CCn1nncc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1569400423 OSXDGJKGTRILGU-GHMZBOCLSA-N 308.342 -0.298 5 10 DBBE Nc1cccc([N+](=O)[O-])c1C(=O)N1CCS(=O)(=O)CCO1 1653854410 USSRAVCYLPNCOR-UHFFFAOYSA-N 315.307 -0.021 5 10 DBBE CCN(C)C(=O)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1715818665 NDIKKYAHLWYPQP-GHMZBOCLSA-N 300.359 -0.480 5 10 DBBE CCn1cc(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1758442782 LFQBTMJHWKJDLQ-MWLCHTKSSA-N 324.341 -0.459 5 10 DBBE C[C@H](N=c1cc([N+](=O)[O-])cc(NN)[nH]1)[C@H](C)S(C)(=O)=O 2170588272 KKPNMTQXTIXOKV-BQBZGAKWSA-N 303.344 -0.069 5 10 DBBE Cc1nc(Cl)nc(O[C@@H]2CS(=O)(=O)C[C@@H]2N)c1[N+](=O)[O-] 2184645907 HRIIJWLLSDTSAE-NTSWFWBYSA-N 322.730 -0.150 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NC(C)(C)CNS(C)(=O)=O)[nH]1 2238982887 QCCNLJIHORWQKT-UHFFFAOYSA-N 305.360 -0.027 5 10 DBBE O=C(NCC1(O)CS(=O)(=O)C1)c1csc([N+](=O)[O-])c1 2267890458 CNARDKDZACTLHI-UHFFFAOYSA-N 306.321 -0.454 5 10 DBBE C[C@H](CN=c1[nH]c(C2CC2)ncc1[N+](=O)[O-])S(N)(=O)=O 2286626966 UAVMTVIVKSWTCN-ZCFIWIBFSA-N 301.328 -0.227 5 10 DBBE Nc1cc(S(=O)(=O)N2CCO[C@@H](CO)C2)ccc1[N+](=O)[O-] 132953005 VSWDDVVTEODCJP-MRVPVSSYSA-N 317.323 -0.441 5 10 DBBE NC(=O)[C@]1(O)CCCN(c2ncnc(Cl)c2[N+](=O)[O-])C1 312281916 KCUVMQOOOSFXTK-JTQLQIEISA-N 301.690 -0.145 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](O)C[C@H]1C(N)=O 596620357 FNZLTDVQTSUIAD-PWSUYJOCSA-N 322.321 -0.238 5 10 DBBE CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599330435 ZCAPPDBWQRQDIP-MRVPVSSYSA-N 322.343 -0.919 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@]2(O)CCOC2)n1 599339169 ISVFAKRDBWTMNE-SNVBAGLBSA-N 320.327 -0.852 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCNC1=O 693951932 DGWDHVUGLMZPOD-SSDOTTSWSA-N 300.296 -0.656 5 10 DBBE C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](O)CO 698919608 PDSSPVOKKKOIPD-HZGVNTEJSA-N 308.287 -0.246 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(CO)(CO)C2)cc1 721492414 LAODRBPRQOJXMU-UHFFFAOYSA-N 302.308 -0.430 5 10 DBBE COc1ccc(C(=O)N2CC(S(N)(=O)=O)C2)cc1[N+](=O)[O-] 1161529508 VVDTTWAVRWOCPG-UHFFFAOYSA-N 315.307 -0.284 5 10 DBBE O=C(CCc1cn[nH]c1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1285542798 DRMLTLZYQMCJPT-NUYITTKVSA-N 321.337 -0.204 5 10 DBBE O=C(NC[C@]1(OCCO)CCOC1)c1c[nH]nc1[N+](=O)[O-] 1334501029 ZPFBQWFIZWUTJW-LLVKDONJSA-N 300.271 -0.784 5 10 DBBE CN1CCC(CCO)(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 1466603999 AHMXUPWNWVPJCN-UHFFFAOYSA-N 311.342 -0.095 5 10 DBBE CSCC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1509163958 SWPHHYBQAJKXOO-RKDXNWHRSA-N 317.367 -0.906 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCN(CCO)CC1 1624200425 LOBIVWYEPZQUDM-UHFFFAOYSA-N 303.706 -0.279 5 10 DBBE CNC(=O)CN1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 1654848432 PXYYJDHCYHZTQX-UHFFFAOYSA-N 310.358 -0.455 5 10 DBBE N=C(N)NCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1N 1866118983 GOWCGWVUHRGDTB-QMMMGPOBSA-N 309.330 -0.294 5 10 DBBE O=C(O)CNCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1866361510 RMPVBWNRDCMHLK-UHFFFAOYSA-N 322.321 -0.082 5 10 DBBE Cn1cc(C(=O)N2CC[C@@](F)(C(N)=O)C2)cc([N+](=O)[O-])c1=O 1889735467 IIZUACXFHRLQEO-LBPRGKRZSA-N 312.257 -0.667 5 10 DBBE NNc1ccc([N+](=O)[O-])c(CN2C(=O)CCS2(=O)=O)c1 2150387378 RKLVACOVUCHWLC-UHFFFAOYSA-N 300.296 -0.058 5 10 DBBE C[C@@H]1[C@H](O)CN1S(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 2182524861 XCANWMYHFFUOMV-HZGVNTEJSA-N 302.312 -0.366 5 10 DBBE Nc1cc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(Cl)cc1[N+](=O)[O-] 2234227701 NBWDTEOEFRPKEF-OUAUKWLOSA-N 303.702 -0.267 5 10 DBBE Cc1cc(O[C@H](C)C(N)=O)c([N+](=O)[O-])cc1S(N)(=O)=O 216059169 HKWRIAIEYIINEX-ZCFIWIBFSA-N 303.296 -0.197 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](O)CN1CCCCC1 434457141 SSEKZKOPEUGFMZ-JTQLQIEISA-N 312.330 -0.851 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1=O 593557800 RNEYSLGOWWDCTL-UHFFFAOYSA-N 300.296 -0.548 5 10 DBBE O=C(CN1C[C@@H](O)C[C@@H](O)C1)N1CCc2cc([N+](=O)[O-])ccc21 610614897 WIWISJIYSYNHIZ-BETUJISGSA-N 321.333 -0.089 5 10 DBBE NS(=O)(=O)NC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 1118846618 MQLOAFBTPLGADA-UHFFFAOYSA-N 318.359 -0.951 5 10 DBBE O=C(NC1CCN([C@@H]2CCOC2=O)CC1)c1cc([N+](=O)[O-])n[nH]1 1151971741 ZCCDBCFUNWNSTR-SNVBAGLBSA-N 323.309 -0.172 5 10 DBBE COc1ccc(C(=O)NC[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] 1161188015 FOMCNFIPZLHIJV-JTQLQIEISA-N 321.293 -0.014 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N(CC(N)=O)C1CCOCC1 1455260150 YQRHJAHQHQAGJH-UHFFFAOYSA-N 311.298 -0.565 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN=S(C)(C)=O 1471983212 QFJKTXGSXPNSSC-UHFFFAOYSA-N 303.344 -0.056 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCC2(CC1)C[C@@H](O)CNC2=O 1472892510 WBNXEKUIWJJYOX-SECBINFHSA-N 309.326 -0.204 5 10 DBBE O=C(CCn1ccnc1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1506153940 JLBLUMBSCBPXSW-GHMZBOCLSA-N 321.337 -0.297 5 10 DBBE O=Cc1ccc(OCC(=O)N2C[C@@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 1638814456 LUZIKSYNDRYBDV-ZYHUDNBSSA-N 324.289 -0.402 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC(O)(C(N)=O)C1 1643059668 IZNYRMZKBLQLIH-UHFFFAOYSA-N 309.278 -0.274 5 10 DBBE O=C(CCCF)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1734822929 COOWWJBJRZQDPQ-NXEZZACHSA-N 317.317 -0.519 5 10 DBBE C[C@H](NS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F)C(N)=O 50656961 NNZHKWRNGNTLRD-BYPYZUCNSA-N 306.275 -0.532 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)cc1F 131340516 IJNZKAPNIAQRBR-AOOOYVTPSA-N 306.271 -0.540 5 10 DBBE COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 339000434 LQCAQCPDRRODIT-JTQLQIEISA-N 317.323 -0.284 5 10 DBBE COCCN1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 358348784 HBOALWQOPVZHJF-UHFFFAOYSA-N 312.330 -0.633 5 10 DBBE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O 371081552 ROJJGJTZSCUBGF-LHGDZMGGSA-N 310.310 -0.512 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CC(S(N)(=O)=O)C2)c1 413566997 JTJJQPGOJHAOJD-UHFFFAOYSA-N 315.307 -0.142 5 10 DBBE CNCCOCCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599104429 ATNIPFALCRNYTI-UHFFFAOYSA-N 321.359 -0.815 5 10 DBBE CN1CC[C@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599333237 ZITFWIKLUWWTQQ-MRVPVSSYSA-N 303.344 -0.442 5 10 DBBE O=C(NS(=O)(=O)N1CCNCC1)c1csc([N+](=O)[O-])c1 714259189 QVELXSFRMFIWPI-UHFFFAOYSA-N 320.352 -0.464 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@]1(CO)CCCNC1 725373488 WCTZYKWXKWQKMJ-LBPRGKRZSA-N 315.351 -0.012 5 10 DBBE O=C(CCn1ccnn1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1295193103 BCMYIKXIXPLKLP-LMLFDSFASA-N 322.325 -0.903 5 10 DBBE CCN1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 1468283671 RZSOVPQSHJVNQT-VIFPVBQESA-N 308.294 -0.507 5 10 DBBE CO[C@@H]1COCC[C@@H]1N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 1659966674 FGPFSLKHPVSTLB-RWMBFGLXSA-N 314.342 -0.112 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]2CO)c1 2148957266 BHERRIZFMISRRZ-MRVPVSSYSA-N 302.312 -0.364 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@@H](O)C(=O)O 2176843532 SDQGSBQNCDFBHQ-SVGQVSJJSA-N 305.268 -0.898 5 10 DBBE Nc1sc(S(=O)(=O)NC[C@H]2CNC(=O)O2)cc1[N+](=O)[O-] 2186492695 ODNNKJPSOQEMCU-SCSAIBSYSA-N 322.324 -0.375 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1ccnc(O)c1[N+](=O)[O-] 2192677603 OILCRXLJAHHANP-JGVFFNPUSA-N 302.312 -0.508 5 10 DBBE O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@](O)(CO)[C@@H](O)C1 2234107381 QRHNDPLHSHYPIV-ONGXEEELSA-N 303.702 -0.062 5 10 DBBE CCc1ncc([N+](=O)[O-])c(C2(C(=O)O)CS(=O)(=O)C2)n1 2286685150 JTEVINZSAONLPK-UHFFFAOYSA-N 301.280 -0.302 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(CO)CO 87752310 BVZMDEAWMQVHLR-UHFFFAOYSA-N 306.296 -0.765 5 10 DBBE C[C@](O)(CO)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 90287592 XUAYRBMNVUYAGU-LLVKDONJSA-N 304.324 -0.243 5 10 DBBE Cn1ncnc1NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 126824709 LAJQKFKKBIGFCI-UHFFFAOYSA-N 313.299 -0.190 5 10 DBBE C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C1(S(C)(=O)=O)CC1 342675786 BVKJVTPTXYXMPL-QMMMGPOBSA-N 316.339 -0.127 5 10 DBBE C[C@@](O)(CO)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 549089528 OTLOONZFCFFZBA-ZDUSSCGKSA-N 312.278 -0.161 5 10 DBBE CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594754906 PPUDRCISEWLSOS-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC(O)(CO)C1 597702969 QGBXMUGRRJAQIJ-UHFFFAOYSA-N 318.289 -0.040 5 10 DBBE COC(=O)c1cnc(NCCc2nnnn2C)c([N+](=O)[O-])c1 616377257 DPKPOFREMHNTLD-UHFFFAOYSA-N 307.270 -0.046 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncnc(F)c1[N+](=O)[O-] 701521935 NUWIEPKIRKAAOV-RITPCOANSA-N 306.275 -0.252 5 10 DBBE CN(C)C[C@@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 717331916 NCAZREBIIABODE-JTQLQIEISA-N 303.340 -0.204 5 10 DBBE C[C@H](O)[C@H](O)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 717415827 PNHDQWXFZOKPEI-POYBYMJQSA-N 308.287 -0.246 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@]1(CO)CCCNC1 725373487 WCTZYKWXKWQKMJ-GFCCVEGCSA-N 315.351 -0.012 5 10 DBBE CCOC(=O)[C@H](COC)OC(=O)Cn1ccc([N+](=O)[O-])n1 766323254 ZJTWRQRUFNSIQZ-QMMMGPOBSA-N 301.255 -0.087 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@H](N)C3)n1 858617220 UJTFZKIYBAAKJR-YIZRAAEISA-N 315.355 -0.171 5 10 DBBE Cn1cc(O)c(=O)cc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 1143835453 BHEYCPSYYOPQAH-UHFFFAOYSA-N 321.293 -0.098 5 10 DBBE COc1ccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1296238277 UHJUFLVDLAFVJP-PSASIEDQSA-N 323.309 -0.661 5 10 DBBE CC(C)(C)n1ncnc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 1321701492 PVLFNMKDPISXMU-UHFFFAOYSA-N 308.302 -0.151 5 10 DBBE CCN1CCN(C2CN(C(=O)c3c([N+](=O)[O-])cnn3C)C2)CC1 1347916582 ZMXFZGVOOTWIPR-UHFFFAOYSA-N 322.369 -0.210 5 10 DBBE NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 1445660286 YIXHBYXNENNRPQ-UHFFFAOYSA-N 307.310 -0.580 5 10 DBBE COC[C@]1(CO)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 1458380065 QBUCFAUWSBYDRZ-CYBMUJFWSA-N 310.310 -0.076 5 10 DBBE O=C(CC1CS(=O)(=O)C1)NCCn1cc([N+](=O)[O-])cn1 1525489119 ZLRTZJWQVKVDMV-UHFFFAOYSA-N 302.312 -0.658 5 10 DBBE CN(C)C[C@@](C)(O)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1546040276 BHSUIYMFAGYBBV-ZDUSSCGKSA-N 312.326 -0.815 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC(C)(C)C 1567281919 XZKCDHJRDUJFHJ-NXEZZACHSA-N 300.359 -0.386 5 10 DBBE CCN(CCNC(=O)CCn1ccnn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581068603 JPWJVCXZOQGLRJ-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE Cc1cc(N2CCN3[C@H](CNS3(=O)=O)C2)ncc1[N+](=O)[O-] 1643223077 IKXGAPHJMZRIBP-SECBINFHSA-N 313.339 -0.363 5 10 DBBE CNS(=O)(=O)[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 1652847891 SNYZSKUFIABLKY-JTQLQIEISA-N 317.371 -0.158 5 10 DBBE CNC(=O)CN1CCCN(c2ccnc(O)c2[N+](=O)[O-])CC1 1655870697 PHMBLXBBTFPYMR-UHFFFAOYSA-N 309.326 -0.047 5 10 DBBE CS(=O)(=O)[C@@H]1CCC[C@@]1(C(=O)O)n1cnc([N+](=O)[O-])n1 2144984568 PUDXPHHAVITZDQ-HZGVNTEJSA-N 304.284 -0.437 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2C[C@H](O)C[C@@H]2O)cc1[N+](=O)[O-] 2165088203 FXRXBMGFSHTZJY-BFHQHQDPSA-N 323.352 -0.599 5 10 DBBE C[C@@H]1CNCCN1S(=O)(=O)Nc1ccc([N+](=O)[O-])cn1 2202444179 XFFUKXARALVPMZ-MRVPVSSYSA-N 301.328 -0.060 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@](O)(CO)[C@H](O)C1 2234099663 FMUNKWWDMYGSTB-GMSGAONNSA-N 304.690 -0.667 5 10 DBBE CO[C@@H]1[C@H](O)C[C@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2286745498 RJNNPINPTBHROE-BBBLOLIVSA-N 303.296 -0.584 5 10 DBBE O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H](O)[C@H](O)[C@H](CO)C1 2289404932 BVCAXWXXYNISET-JMOVZRAMSA-N 303.702 -0.207 5 10 DBBE C[C@@H](CO)N(C)S(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 122572309 JGVBUUMFULFTDK-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE COc1ccc(S(=O)(=O)NC(C)(CO)CO)c([N+](=O)[O-])c1 126265097 RQDHSFXZVGHJIL-UHFFFAOYSA-N 320.323 -0.375 5 10 DBBE COCCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1N 164607029 KWRSMZQKSYQSRO-UHFFFAOYSA-N 319.339 -0.194 5 10 DBBE CNc1sc(S(=O)(=O)N[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] 229363701 WMIVADBUEAYAJD-RXMQYKEDSA-N 320.352 -0.135 5 10 DBBE CCOC(=O)N(C)CCOC(=O)Cn1cnc([N+](=O)[O-])n1 495645273 SAOFFDAXHPMOED-UHFFFAOYSA-N 301.259 -0.182 5 10 DBBE O=C(O)[C@H]1C[C@H]1CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 715276815 FCDLPBZSHWLXDZ-RCOVLWMOSA-N 301.280 -0.011 5 10 DBBE O=C1CC(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)=NN1 787922881 ONBJNYSKWVHXKQ-UHFFFAOYSA-N 306.282 -0.169 5 10 DBBE NC(=O)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1141552344 LXWFMWBGHVSFLB-UHFFFAOYSA-N 307.310 -0.096 5 10 DBBE Cn1ccnc1CCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1297116028 FDAZLPPGMKCXAI-GHMZBOCLSA-N 321.337 -0.655 5 10 DBBE COC(=O)[C@]1(O)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 1455187142 HWMQVABTAIGYFK-ZDUSSCGKSA-N 309.278 -0.073 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H](C)CS(C)(=O)=O 1537758352 BDFNUJJTNIBYCA-MRVPVSSYSA-N 318.355 -0.009 5 10 DBBE Cc1ccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(O)n1 1581029190 INGKWMQFOFGWSE-GHMZBOCLSA-N 322.321 -0.051 5 10 DBBE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1632818352 ACWGDEKWMAXYCC-WWVJYOTQSA-N 312.351 -0.283 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCCC1 1641852990 TUOPWPOHSVNKFO-SECBINFHSA-N 309.326 -0.242 5 10 DBBE NC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC1 1861034488 YRKHZIURLZLRCE-LLVKDONJSA-N 320.305 -0.153 5 10 DBBE C[C@@H](CS(=O)(=O)N(C)C)N=c1ccc(N)c([N+](=O)[O-])[nH]1 2151098528 PIEHNGRMUZNLOU-ZETCQYMHSA-N 303.344 -0.314 5 10 DBBE C[C@H](CS(N)(=O)=O)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] 2152952120 FZGNXYXALFGHAG-ZCFIWIBFSA-N 302.312 -0.217 5 10 DBBE C[C@H](CS(N)(=O)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2152959399 ZKFGLEYMZXUJAK-SSDOTTSWSA-N 323.352 -0.450 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@H](O)C[C@H]2O)cc1 2164978991 NAPSTTWWHXDOGI-JMJZKYOTSA-N 302.308 -0.243 5 10 DBBE C[P@@]1(=O)C[C@@H](N=c2[nH]c(NN)ncc2[N+](=O)[O-])[C@@H](O)C1 2177954399 IUBKIQLTWPTTMP-AIMJEHGGSA-N 302.231 -0.760 5 10 DBBE Cc1cc([N+](=O)[O-])c(N2CC(S(N)(=O)=O)C2)cc1NN 2206795020 BQCAKNRICLBKCH-UHFFFAOYSA-N 301.328 -0.334 5 10 DBBE CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 36265016 VGZYRRZYSGENGS-QWRGUYRKSA-N 301.324 -0.140 5 10 DBBE CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nnn[nH]1 50672794 AHDRCRBZLKFFET-UHFFFAOYSA-N 313.299 -0.372 5 10 DBBE Cc1ccnc(S(=O)(=O)CCS(N)(=O)=O)c1[N+](=O)[O-] 70496944 XROSAFWAUUMRGL-UHFFFAOYSA-N 309.325 -0.640 5 10 DBBE COc1cc(C(=O)NC[C@@H](O)CO)c([N+](=O)[O-])cc1OC 90280018 AYVWKKBZNWNPLD-SSDOTTSWSA-N 300.267 -0.305 5 10 DBBE Nc1cccc(S(=O)(=O)N2CCNC(=O)CC2)c1[N+](=O)[O-] 126994508 QQSBHZKVUCKGMD-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE Nc1ccc(S(=O)(=O)NN2CCOCC2)c([N+](=O)[O-])c1 150111334 TWSXXZBBILMVIM-UHFFFAOYSA-N 302.312 -0.298 5 10 DBBE O=C(C[C@@H]1NC(=O)NC1=O)NCCc1cccc([N+](=O)[O-])c1 345066575 LDMUJPGTNOXFPG-JTQLQIEISA-N 306.278 -0.148 5 10 DBBE CN(C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593531101 AJPICAREPDBNKE-UHFFFAOYSA-N 302.312 -0.254 5 10 DBBE CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593610420 YZFMVULTHKJBDH-QMMMGPOBSA-N 314.323 -0.254 5 10 DBBE COC[C@@H](CCO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594765326 KGVDALPHTVWNQK-MRVPVSSYSA-N 305.312 -0.335 5 10 DBBE COCC[C@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594780966 JMKQBWANTWLYKK-MRVPVSSYSA-N 305.312 -0.335 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CNC[C@@H]3C2)n1 599106070 IKVLMJNNKYJQQY-OCAPTIKFSA-N 301.328 -0.832 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(=O)N(C3CC3)C2)n1 599293486 TTYYMNXDJZHQJX-UHFFFAOYSA-N 315.311 -0.719 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)COC(C)=O)n1 1154151886 KYMAJJPIOJLEEK-QMMMGPOBSA-N 300.271 -0.535 5 10 DBBE CNC(=O)[C@H](CO)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C 1458308219 UVHRLDLIMMLVGU-BYPYZUCNSA-N 311.220 -0.134 5 10 DBBE COCCCOCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1530431936 XPQIKKZLIPLVLO-GHMZBOCLSA-N 315.326 -0.968 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N(CCO)CCOCCO)n1 1586015469 GHKKINACRRHFID-UHFFFAOYSA-N 313.310 -0.258 5 10 DBBE CO[C@@]1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCOC1 1638015638 WKEHZQCOLHPUJF-CYBMUJFWSA-N 311.294 -0.322 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] 1639793706 SDPZCBPYGGXWTN-QMMMGPOBSA-N 320.298 -0.131 5 10 DBBE CN(CC1CC1)C(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1733305888 WMIKOFWRAIXFSM-CHWSQXEVSA-N 324.381 -0.337 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@H]2COC[C@H]2S(C)(=O)=O)[nH]1 2239002455 VJTAMMHIUGZCIX-IONNQARKSA-N 304.328 -0.543 5 10 DBBE NC(=O)CCCCCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2295760568 DDTPKEWGMOPSAD-UHFFFAOYSA-N 305.316 -0.516 5 10 DBBE NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCOC2)cc([N+](=O)[O-])c1 131932404 JSTLUYJHRHECHP-MRVPVSSYSA-N 315.307 -0.239 5 10 DBBE CNC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NC)s1 157563263 RRPZGLBDOHURKZ-UHFFFAOYSA-N 308.341 -0.278 5 10 DBBE CN(CCCNC(=O)C1CCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 429510712 UFWOBOJJSKSSFS-UHFFFAOYSA-N 324.341 -0.049 5 10 DBBE CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593523625 QYEIVOLLZXBLTR-UHFFFAOYSA-N 314.323 -0.157 5 10 DBBE C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599293580 ZZNRTEDIBJMAIA-XCBNKYQSSA-N 320.327 -0.854 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@@]2(C)CCOC2)n1 861327472 ZLALRVAJRKMAJF-JTQLQIEISA-N 318.311 -0.440 5 10 DBBE CC(=O)OC[C@@H](CO)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1138190940 PAJPNBKKWCGQBS-ZYHUDNBSSA-N 312.278 -0.332 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](N2CCCC2=O)C1 1320698548 SKROTPMYOMQHBA-VIFPVBQESA-N 308.298 -0.590 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(=O)n(CCO)c1 1326348939 WLOVIVDONUYNNP-UHFFFAOYSA-N 307.266 -0.416 5 10 DBBE C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ncnn1C 1329225648 TUSLZMGLKGZRHU-ZCFIWIBFSA-N 315.315 -0.504 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@](F)(CO)C2)n1 1331572040 PJIOJYCRSTYPNT-VIFPVBQESA-N 308.291 -0.577 5 10 DBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)CCC(C)(C)[N+](=O)[O-] 1439881515 VWBOFUJUXIDYEF-SECBINFHSA-N 315.326 -0.336 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCS(=O)(=O)CC1 1546343654 BNQGBPXKGYWIET-LLVKDONJSA-N 314.319 -0.115 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(NC2CCOCC2)C1 1558385474 UFTRKBQWHIZEHS-UHFFFAOYSA-N 310.314 -0.834 5 10 DBBE COC(=O)N1CC(C)(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1638357850 IKQKBCUOZPWGGF-UHFFFAOYSA-N 324.293 -0.287 5 10 DBBE COC(=O)CNC(=O)CNc1nc2ccccn2c1[N+](=O)[O-] 1651347839 LSWPYSZLAGYDAZ-UHFFFAOYSA-N 307.266 -0.056 5 10 DBBE CCN(CCNC(=O)Cn1cc(C)cn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704266665 CLRYRQVHSFJUJH-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cc[nH]n1 1704275946 KYDLEKOKRHMWLD-GHMZBOCLSA-N 309.326 -0.418 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)C[C@@]2(O)CNC[C@H]2O)c1 2157170460 AWSBUQIIUPEUJS-MNOVXSKESA-N 302.308 -0.936 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCO1 2189561044 BJHBOLMAMVOKKH-MRVPVSSYSA-N 302.312 -0.052 5 10 DBBE COCC[S@](=O)CCNc1ncnc(NN)c1[N+](=O)[O-] 2207025099 FGVVWOCABSVSDN-HXUWFJFHSA-N 304.332 -0.523 5 10 DBBE CS(=O)(=O)N1CC(CNCc2ccc([N+](=O)[O-])cn2)C1 2233068588 OMZLFWCUSYMMRH-UHFFFAOYSA-N 300.340 -0.029 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)CCCC(=O)O)n1 2240654691 UUQLDRNJRZQCMZ-UHFFFAOYSA-N 306.300 -0.388 5 10 DBBE Cn1cc([N+](=O)[O-])c(=N[C@@H](CSCC(=O)O)C(=O)O)[nH]1 2288537731 JTQJVHMYVLMSMZ-YFKPBYRVSA-N 304.284 -0.567 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289384624 FRZCWUDQUXDQQQ-KHQFGBGNSA-N 302.308 -0.558 5 10 DBBE CCCS(=O)(=O)N(C)Nc1ncnc(NN)c1[N+](=O)[O-] 2365290387 OWOUIMXGTQAGAF-UHFFFAOYSA-N 305.320 -0.331 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@]1(C(=O)O)CCSC1 43510633 YWCVCNUGYSGCLR-JTQLQIEISA-N 300.296 -0.132 5 10 DBBE NNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 51143963 KEUJQFLYLXTRBC-UHFFFAOYSA-N 314.323 -0.249 5 10 DBBE CCNC(=O)COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 216073595 ONHXVNBJXDNPKV-UHFFFAOYSA-N 303.296 -0.243 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1COc2ccccc2C1=O 343133483 CPJHPWMKNOHNBS-VIFPVBQESA-N 317.261 -0.054 5 10 DBBE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1=O 374128804 HAFGSUXQINWBKI-KXUCPTDWSA-N 307.310 -0.083 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCNS(=O)(=O)CC)n1 427400657 VUNDIIAHANZVHM-UHFFFAOYSA-N 319.343 -0.520 5 10 DBBE CCNC(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599205791 ADYXMFPLEIGBBM-LURJTMIESA-N 305.316 -0.869 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CS(N)(=O)=O 609623655 TUANWCPLKBAZMY-QMMMGPOBSA-N 316.339 -0.174 5 10 DBBE CNc1sc(S(=O)(=O)N[C@H]2CCNC2=O)cc1[N+](=O)[O-] 693960517 RTIUTRWRWNAIJN-YFKPBYRVSA-N 320.352 -0.135 5 10 DBBE COC(=O)CCN1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O 849807278 OGVIOZWFDXADMF-OPRDCNLKSA-N 314.294 -0.251 5 10 DBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC(O)(CO)C1 854672091 CLOWNGOEGFDKRV-UHFFFAOYSA-N 306.278 -0.490 5 10 DBBE O=C1NCC[C@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]12 1303006963 AHIOQEWAOIHYKP-BXKDBHETSA-N 307.310 -0.082 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1O 1331554227 FQZMRFFCMCKYIJ-APPZFPTMSA-N 304.328 -0.280 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)NC[C@@H]3C2)n1 1465612879 XLNLHQRESKPVBC-MRVPVSSYSA-N 308.298 -0.339 5 10 DBBE O=C1NCC[C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]12 1558096011 FKXKBXFFFUNCBS-CABZTGNLSA-N 307.310 -0.082 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CS(C)(=O)=O 1558636388 RCKFRFRGMVWPNB-VIFPVBQESA-N 317.323 -0.566 5 10 DBBE Cc1nn[nH]c1C(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C 1567541844 GCLJABVWNNPPED-UHFFFAOYSA-N 322.329 -0.383 5 10 DBBE CNC(=O)CN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 1628956051 WCERBGXTRCTPTF-UHFFFAOYSA-N 300.359 -0.288 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCC3(CC2)C[C@@H](O)CNC3=O)n1 1643261998 JQVKSLKTOJRKJU-SECBINFHSA-N 309.326 -0.204 5 10 DBBE CN(CCCNC(=O)CCc1cnn[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720564636 IVCPTZXZPQZDSF-GHMZBOCLSA-N 324.341 -0.633 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)C[C@@]2(O)CNC[C@@H]2O)c1 2157170461 AWSBUQIIUPEUJS-QWRGUYRKSA-N 302.308 -0.936 5 10 DBBE C[C@H](Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1)N1CCCC1 2188612310 LVAKOGJLFBDPDU-MRVPVSSYSA-N 303.344 -0.077 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N)c1nn[nH]n1 50672572 RKGVYBBYBITILA-RXMQYKEDSA-N 313.299 -0.270 5 10 DBBE CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50678212 KZQPXGSLONNNDR-ZETCQYMHSA-N 316.339 -0.020 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1COC[C@@H]1O 323141588 YBCAYPPOFASOAC-KOLCDFICSA-N 302.308 -0.226 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1COC[C@@H]1O 323476101 KWFYESNHGVVLFX-APPZFPTMSA-N 306.271 -0.228 5 10 DBBE C[C@H]1CN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CCS1(=O)=O 352351779 ZDGGOEZLVYEANC-ZETCQYMHSA-N 315.307 -0.046 5 10 DBBE O=C1C[C@]2(CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)CN1 434759597 WUEWBGCYZFQXSD-CQSZACIVSA-N 306.322 -0.032 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3NCC[C@@H]3C2)n1 599108607 OREZKVWXWABPDI-RKDXNWHRSA-N 315.355 -0.299 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccnn2C)n1 599210068 FOAWDVIAIPCTFK-UHFFFAOYSA-N 300.300 -0.460 5 10 DBBE COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H](C)O1 862866319 GRJHFQPDHPHNBT-XCBNKYQSSA-N 324.293 -0.026 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(CO)CC2)n1 1118872938 MMYSKSKOGLMCSP-UHFFFAOYSA-N 304.328 -0.279 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](c2nn[nH]n2)C1 1175553534 YSVQYDPWAZVUQK-MRVPVSSYSA-N 306.286 -0.371 5 10 DBBE COCC(=O)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1253872329 UMWJCLLTKXHDSW-UHFFFAOYSA-N 311.298 -0.741 5 10 DBBE O=C1COc2ccc([N+](=O)[O-])cc2N1CC(=O)N1CC[C@H]1CO 1538642420 XPJKQQNJBZXLHO-JTQLQIEISA-N 321.289 -0.087 5 10 DBBE Nc1nc(N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)ncc1[N+](=O)[O-] 1612864601 RJYVVHNBHXRMAY-YUMQZZPRSA-N 313.339 -0.162 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@H](Cn2ccnn2)C1 1629876186 ZEOVFITZPRMSLN-QMMMGPOBSA-N 307.270 -0.549 5 10 DBBE CCCN(C)CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704883850 JQNPTXSYKSRRDG-VXGBXAGGSA-N 314.386 -0.090 5 10 DBBE NNc1cc(S(=O)(=O)N2CC[C@@H]2CO)ccc1[N+](=O)[O-] 2148958115 KQIYALPGQDKGTF-SSDOTTSWSA-N 302.312 -0.364 5 10 DBBE NS(=O)(=O)c1cn(CCN2CCCCC2)nc1[N+](=O)[O-] 2156815555 IYQWXEVSWWHNSL-UHFFFAOYSA-N 303.344 -0.075 5 10 DBBE N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2168120372 RCOHXIIUDYTGQJ-SFYZADRCSA-N 302.312 -0.928 5 10 DBBE COCC1(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)COC1 2199415640 DDGPTHFPOVJXKK-UHFFFAOYSA-N 306.300 -0.898 5 10 DBBE CNS(=O)(=O)CCN=c1[nH]c(C2CC2)ncc1[N+](=O)[O-] 2286685010 IBGQGOZSOULOIM-UHFFFAOYSA-N 301.328 -0.355 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F 50654816 CKTGGRZDRJAACY-UHFFFAOYSA-N 320.302 -0.270 5 10 DBBE COC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1[N+](=O)[O-] 566807280 KZBDXSNGNIZCQA-UHFFFAOYSA-N 318.307 -0.006 5 10 DBBE COC(=O)[C@@H](CF)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599307261 POZGSSXOIVTTJA-RXMQYKEDSA-N 310.263 -0.882 5 10 DBBE CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] 610260991 MYVTZEBDYQWJOA-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 708072217 QLWHXRLCTGIZJR-RNFRBKRXSA-N 323.352 -0.381 5 10 DBBE Cn1cc([C@@H](O)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cn1 1149973214 LUKVZPIIYYTKMI-LBPRGKRZSA-N 321.293 -0.660 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC2CC(NS(C)(=O)=O)C2)n1 1325234826 YAYUXDIRVDFMJK-UHFFFAOYSA-N 317.327 -0.862 5 10 DBBE O=C(CN1CCC(CO)CC1)NCCn1cc([N+](=O)[O-])cn1 1445715069 KKIGQSPZJLGGEA-UHFFFAOYSA-N 311.342 -0.388 5 10 DBBE COC[C@@H]1COCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1644624544 LVYXRWRNKLUUHG-VXGBXAGGSA-N 300.315 -0.501 5 10 DBBE CCOCCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689066374 NPQJTVRQMGPJSV-GHMZBOCLSA-N 301.343 -0.005 5 10 DBBE Cc1ccnn1CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1738049672 LKOHMEWASOGRFR-VXGBXAGGSA-N 321.337 -0.569 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2CO)cn1 2146504207 KMTOCBLMOURSTR-IONNQARKSA-N 303.296 -0.725 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2C[C@@H](O)C[C@@H]2O)cc1[N+](=O)[O-] 2165088206 FXRXBMGFSHTZJY-XAHCXIQSSA-N 323.352 -0.599 5 10 DBBE CCS(=O)(=O)CCN(C)c1nc(NN)ncc1[N+](=O)[O-] 2170556832 QXAKVZSVTXRSGH-UHFFFAOYSA-N 304.332 -0.459 5 10 DBBE O=[N+]([O-])c1cnc(F)[nH]c1=NCC1[C@H]2CS(=O)(=O)C[C@H]12 2174708524 UJCPCZNZXPMHDR-RNFRBKRXSA-N 302.287 -0.352 5 10 DBBE NCC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)COC1 2176837315 ZWFHBTWKGWRORT-UHFFFAOYSA-N 301.324 -0.152 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 2192677156 MZZIDVYQINOYTJ-YUMQZZPRSA-N 319.364 -0.229 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@](C)(O)CO 90287729 XMRQECCDAAPABB-NSHDSACASA-N 304.324 -0.075 5 10 DBBE CNC(=O)CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593541698 SCODMUGIRDLSLX-UHFFFAOYSA-N 302.312 -0.254 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3COC[C@]3(C)C2)n1 599347890 WADYBDKMZWPSJY-KCJUWKMLSA-N 316.339 -0.015 5 10 DBBE CS(=O)(=O)N1CC[C@H](n2cc([N+](=O)[O-])c(C(=O)O)n2)C1 689912257 GOFPORBSAUWWTH-LURJTMIESA-N 304.284 -0.304 5 10 DBBE CC[S@@](=O)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 733883312 ZFVKHHCHLUGSEW-HXUWFJFHSA-N 301.324 -0.359 5 10 DBBE C[C@](O)(CO)CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 798264687 SDKFVMJMUUWLHA-TZMCWYRMSA-N 323.305 -0.053 5 10 DBBE Cc1nonc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941007483 NPDAEBJNDFEPMN-NXEZZACHSA-N 323.309 -0.282 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]2C1=O 1151915168 UCVXYMXLBSTYMY-AOOOYVTPSA-N 319.273 -0.013 5 10 DBBE O=C(CN1CCNC(=O)C1)NCCOc1ccc([N+](=O)[O-])cc1 1293022667 DXUADCXAYGRJDK-UHFFFAOYSA-N 322.321 -0.478 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CCCS2(=O)=O)n1 1320009927 SDAVZTQCTUBJAA-UHFFFAOYSA-N 317.327 -0.906 5 10 DBBE O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@@H]2C1 1445170881 BILOONKBGAHTJO-NEPJUHHUSA-N 320.305 -0.136 5 10 DBBE O=C(NC[C@@]12COCCN1C(=O)OC2)c1cc([N+](=O)[O-])c[nH]1 1643884706 UQBIFPNRIJEKIT-LBPRGKRZSA-N 310.266 -0.126 5 10 DBBE CCN(CCNCC(=O)N1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1699180970 FFBFCJSDPYYZHM-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1nc[nH]n1 1713645436 RGGZHPLRZGJXTL-UHFFFAOYSA-N 308.302 -0.692 5 10 DBBE NC[C@H]1CC[S@](=O)(=NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 2154593658 XIAGYZRZWSFKCS-ZPWHCFADSA-N 301.328 -0.236 5 10 DBBE CN1CCC[C@H]1CCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156823090 GUWKSUOFKCVKIZ-QMMMGPOBSA-N 303.344 -0.077 5 10 DBBE COc1nc(=NC[C@@H]2CCCS2(=O)=O)[nH]cc1[N+](=O)[O-] 2157676793 PZZRGLCOKOOTJW-ZETCQYMHSA-N 302.312 -0.196 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(c2nc(F)ncc2[N+](=O)[O-])C1 2170661067 YOWWXHCKJJYSIL-LURJTMIESA-N 305.291 -0.348 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@H]1OCC[C@H]1F 2179087089 GUGVCBBHLMTLRL-RNFRBKRXSA-N 308.291 -0.126 5 10 DBBE NS(=O)(=O)N1CCC(Nc2ncncc2[N+](=O)[O-])CC1 2235291045 OVCJISNTWBAKCG-UHFFFAOYSA-N 302.316 -0.535 5 10 DBBE CS(=O)(=O)N1CC[C@H](Oc2ncnc(F)c2[N+](=O)[O-])C1 2285604556 CXYXVFNHOQHGJY-LURJTMIESA-N 306.275 -0.063 5 10 DBBE O=C(O)[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 90263047 RVNUHNXAQZAQGJ-ZETCQYMHSA-N 308.243 -0.542 5 10 DBBE O=C(NC[C@H]1CNC[C@@H]1O)c1cc2c(cc1[N+](=O)[O-])OCCO2 262278986 NSKHVSFOIXGQFC-KCJUWKMLSA-N 323.305 -0.324 5 10 DBBE COC(=O)[C@@H](C)CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 338888247 XMYKYIXGLFQDJZ-QMMMGPOBSA-N 311.298 -0.014 5 10 DBBE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 346844825 LPCPVXBYKDMKNK-KKZNHRDASA-N 323.309 -0.014 5 10 DBBE O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 593525383 DHHYXRNQXNUKTP-UHFFFAOYSA-N 314.323 -0.206 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@](C)(O)C2CC2)n1 599240483 KCWDOJLFXMWENR-JTQLQIEISA-N 304.328 -0.232 5 10 DBBE CNC(=O)NC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 599539888 RGWWIUOLOXDUKN-JTQLQIEISA-N 312.330 -0.579 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](O)CO 698918152 JINBYYRBYSOOEV-RCOVLWMOSA-N 308.287 -0.246 5 10 DBBE CNC[C@@H](O)CN(C)S(=O)(=O)c1cncc([N+](=O)[O-])c1 708892826 MYHYJQWAITZLFT-SECBINFHSA-N 304.328 -0.809 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3NCCO[C@@H]3C2)cc1 725374381 KJQKVBYUNYMSHT-NWDGAFQWSA-N 313.335 -0.044 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCCCN1CCOCC1 1115894268 RLEFAVQNFMYJJG-UHFFFAOYSA-N 312.330 -0.585 5 10 DBBE COC(=O)c1ccnc(N2CCN(C(N)=O)CC2)c1[N+](=O)[O-] 1166573487 ZNQORDRAAALMHU-UHFFFAOYSA-N 309.282 -0.023 5 10 DBBE NC(=O)C1(O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 1194289490 AQTYQPDDTXNIQC-UHFFFAOYSA-N 310.310 -0.931 5 10 DBBE CN(CCOCCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1485757559 UXSORUSDLZEQLZ-CHWSQXEVSA-N 315.370 -0.417 5 10 DBBE Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 1569368616 JYPDUUPACIEQNT-KNVOCYPGSA-N 304.262 -0.478 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 1632310880 WPAZYHCLYAGMDW-LDYMZIIASA-N 312.282 -0.514 5 10 DBBE O=C1NCCO[C@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]12 1636384552 NJLOGCVRSOTKJA-JOYOIKCWSA-N 323.309 -0.703 5 10 DBBE CNC(=O)c1ccc(NCC(=O)NCC(=O)OC)c([N+](=O)[O-])c1 1640299062 MSIYZJGOICVPQG-UHFFFAOYSA-N 324.293 -0.345 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnsn1 1758369889 VWGZULGCSMOGMR-VXNVDRBHSA-N 313.339 -0.218 5 10 DBBE O=[N+]([O-])c1ccc(CNS(=O)(=O)N2CC[C@@H](O)C2)cc1 1914144676 VASRUYVQMKSTGM-LLVKDONJSA-N 301.324 -0.004 5 10 DBBE CN=c1[nH]c(N[C@@H]2CS(=O)(=O)C[C@H]2C)ncc1[N+](=O)[O-] 2157679872 GUVSBDVRZGTXIE-RNFRBKRXSA-N 301.328 -0.307 5 10 DBBE NCC1CN(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)C1 2161199280 TXECAEDCMUVSQD-UHFFFAOYSA-N 300.340 -0.180 5 10 DBBE Cc1cc(=N[C@@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c(C)[nH]1 2177803755 ZPNWTNWBFCILEH-ZJUUUORDSA-N 301.324 -0.402 5 10 DBBE Cc1nc(Cl)[nH]c(=NCC(CO)(CO)CO)c1[N+](=O)[O-] 2179799355 NVNPHTQKZQZOMY-UHFFFAOYSA-N 306.706 -0.856 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1nccc(N)c1[N+](=O)[O-] 2192654010 AUCBKAVXNXYSGT-HTQZYQBOSA-N 301.328 -0.631 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]1[C@H](O)CO 2286221364 RXXVKUWJCJOCSK-PSASIEDQSA-N 302.308 -0.289 5 10 DBBE O=C1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)CCN1 61410136 PFFCUWIZVHMMQE-UHFFFAOYSA-N 303.271 -0.146 5 10 DBBE CN(CC(=O)N1CCNCC1)c1ccc([N+](=O)[O-])c2nonc12 261627234 BMRQFUCKLMJOAN-UHFFFAOYSA-N 320.309 -0.001 5 10 DBBE COc1cc(CN2CCN(CC(N)=O)C(=O)C2)ccc1[N+](=O)[O-] 459736445 WABWUJKBWAZGTM-UHFFFAOYSA-N 322.321 -0.267 5 10 DBBE CNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 531887257 VNZSMDUBUPEBPH-UHFFFAOYSA-N 307.310 -0.506 5 10 DBBE CN1C[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 590446967 XPUOUPBYCAYPFI-PWSUYJOCSA-N 306.322 -0.081 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(c2nccnn2)CC1 600184439 MDXZKGYMHNQVMF-UHFFFAOYSA-N 318.297 -0.675 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2CO)cn1 698134298 ADPADKXBSDHOLV-JGVFFNPUSA-N 303.296 -0.894 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@H](O)CO 698917326 DWJJSAVUUNPSGF-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE NS(=O)(=O)[C@@H]1CCCN(c2ncnc(F)c2[N+](=O)[O-])C1 707415661 RSLZOUNTXLHITC-ZCFIWIBFSA-N 305.291 -0.219 5 10 DBBE O=C(CCc1cn[nH]c1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1285923507 ITOSLZDKOPFIBX-GHMZBOCLSA-N 321.337 -0.228 5 10 DBBE O=C(Cc1cnoc1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1285954261 HUPNFCYXPLMQIG-NXEZZACHSA-N 308.294 -0.353 5 10 DBBE Cc1cc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 1357170695 FRKOFNFPJYRPGQ-MWLCHTKSSA-N 309.326 -0.086 5 10 DBBE COC(=O)[C@H]1CSCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 1616515033 NDLKHJNDJYZCLK-MRVPVSSYSA-N 314.323 -0.092 5 10 DBBE Cc1nc(N2CCN3[C@H](CNS3(=O)=O)C2)ncc1[N+](=O)[O-] 1640450150 YSCKSDXHBBYIEC-MRVPVSSYSA-N 314.327 -0.968 5 10 DBBE Cn1cc(Cn2cc(S(C)(=O)=O)ccc2=O)c([N+](=O)[O-])n1 1652002853 VPXVNBYULHTORO-UHFFFAOYSA-N 312.307 -0.058 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@H](O)[C@H](F)C2)cc1[N+](=O)[O-] 2092827818 AABVLLSUILFACZ-XINAWCOVSA-N 311.316 -0.058 5 10 DBBE C[C@H]1CNCCN1S(=O)(=O)Nc1cc([N+](=O)[O-])ccn1 2202450833 RZXULAMZQOJXSX-QMMMGPOBSA-N 301.328 -0.060 5 10 DBBE O=C(O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 21810879 NOFFTZHHUNJILN-SSDOTTSWSA-N 324.698 -0.028 5 10 DBBE Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N1CCNC(=O)C1 50649899 GBZYYSBOZAGITL-UHFFFAOYSA-N 318.286 -0.563 5 10 DBBE O=C(O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302110 DNNCOJNUCLSUPA-XPUUQOCRSA-N 317.279 -0.802 5 10 DBBE O=C(O)[C@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302111 MGCCJLAIDHCKIH-ZETCQYMHSA-N 305.268 -0.896 5 10 DBBE CC(C)(NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1)C(N)=O 157490530 ZPOPCLPLVUKVKQ-UHFFFAOYSA-N 323.356 -0.516 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 159062331 RDJMNILUOJFAOK-SFHVURJKSA-N 307.353 -0.166 5 10 DBBE NCCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 262738307 HTXWOYHUMRUKLQ-UHFFFAOYSA-N 317.323 -0.007 5 10 DBBE CNC(=O)CN1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 281021932 UFERCNYLJQTINO-UHFFFAOYSA-N 322.321 -0.196 5 10 DBBE CN(C(=O)[C@H]1CCN(C)S1(=O)=O)c1ccc([N+](=O)[O-])nc1 592626735 HBGMPAKOBJMTOL-SECBINFHSA-N 314.323 -0.014 5 10 DBBE O=C1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1 1334443215 ZJHDCEIKYBRKNW-VIFPVBQESA-N 308.294 -0.459 5 10 DBBE CN1CCN(CCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1540430693 VKMLKPJIJRPQFS-UHFFFAOYSA-N 322.369 -0.061 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCCS(C)(=O)=O)n1 1597273876 QABWCVWLYIIQDK-UHFFFAOYSA-N 304.328 -0.024 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCCn2nncc2C1 1652065764 DMVVPZMDNGCXQU-UHFFFAOYSA-N 318.293 -0.220 5 10 DBBE O=C(NC1CN(CCCCCn2cncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1732097246 CPAZHXTYNNXWEJ-CHWSQXEVSA-N 322.369 -0.086 5 10 DBBE O=C(N=c1cc[nH]cc1[N+](=O)[O-])c1cnc2nc[nH]n2c1=O 1866072554 HXFPRPKPRQINNI-UHFFFAOYSA-N 301.222 -0.605 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] 2157547092 OKXUKSTWWYXWPV-UHFFFAOYSA-N 306.275 -0.743 5 10 DBBE NC(CO)(CO)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl 2286182745 ABBLZEUULVPQAB-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE NS(=O)(=O)NC[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 60378769 BBVRKHAGBKWRQR-VIFPVBQESA-N 315.355 -0.001 5 10 DBBE CNc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1[N+](=O)[O-] 126896956 GOQHUROLZVQTFG-UHFFFAOYSA-N 314.323 -0.243 5 10 DBBE Nc1sc(S(=O)(=O)N2CCOC[C@@H]2CO)cc1[N+](=O)[O-] 168914576 PJEZAIKZEAANHF-LURJTMIESA-N 323.352 -0.380 5 10 DBBE O=C(NC1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C1CCC1 185935237 FEJNBBACYBNOBG-ZDUSSCGKSA-N 323.353 -0.247 5 10 DBBE O=C(Cn1cc(N=c2cc[nH]cc2[N+](=O)[O-])cn1)NCCO 360997459 WABBBLQXGLXLML-UHFFFAOYSA-N 306.282 -0.540 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2nnc3ccccn23)c1 562450058 CFIMTIAANOPUAT-NSHDSACASA-N 317.309 -0.015 5 10 DBBE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 842362600 LMZWIGWGHBJVFV-RNFRBKRXSA-N 308.312 -0.703 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCc2c(nnn2C)C1 1130236240 TWKWXHUNKJUDLN-SECBINFHSA-N 319.325 -0.098 5 10 DBBE CCc1nn(C)c(N2CC3(C[C@@H](O)CNC3=O)C2)c1[N+](=O)[O-] 1164146474 VQIHWRNOTJMNCR-MRVPVSSYSA-N 309.326 -0.422 5 10 DBBE CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 1298379017 XDCITBQPABZPIB-ZETCQYMHSA-N 317.327 -0.576 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCO[C@H]1C(=O)O 1351728243 CWWJWBXWXNAMMF-LDYMZIIASA-N 312.282 -0.213 5 10 DBBE Cc1cccc(C(=O)N2CC3(C2)NC(=O)NC3=O)c1[N+](=O)[O-] 1472358050 FWKJEOPKLFHDPJ-UHFFFAOYSA-N 304.262 -0.063 5 10 DBBE CCn1cnc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1583311124 PZUDDXVLJLBFQK-ISBNUJHVSA-N 321.337 -0.030 5 10 DBBE Cc1noc(CN2CCN3CCOC[C@@]3(CO)C2)c1[N+](=O)[O-] 1620618301 BXVKFSFFEOPXJS-ZDUSSCGKSA-N 312.326 -0.230 5 10 DBBE CS(=O)(=O)c1nn(-c2cc([N+](=O)[O-])ccn2)cc1C(N)=O 2080312500 JDNIPFUBGQIHAM-UHFFFAOYSA-N 311.279 -0.322 5 10 DBBE NNc1cccc(NC[C@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 2146204318 BEXGOWKMLVAXJR-SSDOTTSWSA-N 301.328 -0.016 5 10 DBBE CCNc1nc[nH]c(=NC[C@@H]2CCS2(=O)=O)c1[N+](=O)[O-] 2150733230 MLVLAZCGPOXNBW-ZETCQYMHSA-N 301.328 -0.163 5 10 DBBE CC1(C)CN(c2nc(=N)[nH]cc2[N+](=O)[O-])CCS1(=O)=O 2170264697 ZRCGOIKPNKNJFE-UHFFFAOYSA-N 301.328 -0.189 5 10 DBBE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1c1c(Cl)cncc1[N+](=O)[O-] 2200857152 HVMKRQMKGYGTDT-YEPSODPASA-N 303.658 -0.362 5 10 DBBE CNCc1ccc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 50516754 BASMOEYZOACADK-CMPLNLGQSA-N 316.335 -0.149 5 10 DBBE CC(=O)Nc1nc(N(CCO)CCO)c(Cl)nc1[N+](=O)[O-] 82092135 RHZBCNFFKIJWND-UHFFFAOYSA-N 319.705 -0.212 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC(=O)NC2)c1 111613588 VIQWUQMZFSCLML-QMMMGPOBSA-N 314.323 -0.266 5 10 DBBE COC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 158602285 ZUKWRJCVKZJGKG-SSDOTTSWSA-N 305.268 -0.632 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(C)(C)O)CC2)n1 330555893 PGRVOCSVAUNWBN-UHFFFAOYSA-N 311.342 -0.143 5 10 DBBE CN(C)CCN1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1=O 593784360 ODBZBJCNVKVJMP-UHFFFAOYSA-N 324.341 -0.826 5 10 DBBE CN1CC(CN(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599341442 KFQNLIBDNJPKAR-UHFFFAOYSA-N 303.344 -0.490 5 10 DBBE CC(C)n1[nH]cnc1=NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600669317 ZZMCLSBDDYUJDX-UHFFFAOYSA-N 315.315 -0.277 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 611024399 LSBSLMCSQRULNG-AOOOYVTPSA-N 302.308 -0.289 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](O)CO 698918149 JINBYYRBYSOOEV-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CNC[C@@H]1O 699962021 HRHDURWWIILTLM-YUMQZZPRSA-N 305.287 -0.655 5 10 DBBE CNS(=O)(=O)c1ccc(N[C@H]2CNOC2)c([N+](=O)[O-])c1 722493090 PQINXSVGSDSXSY-ZETCQYMHSA-N 302.312 -0.182 5 10 DBBE CCN(C(=O)Cn1c([N+](=O)[O-])cnc1C)[C@H]1CC(=O)NC1=O 1442525167 RNXRNFAKBVWJCH-QMMMGPOBSA-N 309.282 -0.637 5 10 DBBE O=C1CN(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1 1447556555 YNWZXCSYFALQMG-ZDUSSCGKSA-N 322.321 -0.824 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(O)(c3ncnn3C)C2)n1 1455276471 RLPYTEPSQZUTMA-UHFFFAOYSA-N 318.293 -0.230 5 10 DBBE O=C(NC1(CCO)CN(C(=O)/C=C/C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1571883445 KFXDWOUBTSHUMH-BLDJZWNYSA-N 323.349 -0.303 5 10 DBBE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1632885514 DMAHMPITVBDZMP-UHNVWZDZSA-N 318.673 -0.280 5 10 DBBE COC1(OC)CCOC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 1633452194 BOFNSMJSJSUEGH-SNVBAGLBSA-N 314.298 -0.315 5 10 DBBE CCS(=O)(=O)C1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 1651849130 RLXVKWFJNPZOIR-UHFFFAOYSA-N 314.323 -0.288 5 10 DBBE NNc1cc(CN2C(=O)CCS2(=O)=O)ccc1[N+](=O)[O-] 2145902705 IFHABECTVZOBNV-UHFFFAOYSA-N 300.296 -0.058 5 10 DBBE NNc1ncnc(NC2[C@@H]3CS(=O)(=O)C[C@@H]23)c1[N+](=O)[O-] 2174639644 CRBKPGJYNJDBPQ-RFZPGFLSSA-N 300.300 -0.875 5 10 DBBE C[C@H]1CNC(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2181184433 WAMPUWFZKHLTHE-ZETCQYMHSA-N 300.296 -0.501 5 10 DBBE NNc1ccc([N+](=O)[O-])c(N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 2206803306 VDZKBYVYIJZLLB-PSASIEDQSA-N 302.312 -0.550 5 10 DBBE COC(=O)[C@H](N)CS(=O)(=O)Nc1ccccc1[N+](=O)[O-] 2286054387 GIPOSYOGRNZHND-SSDOTTSWSA-N 303.296 -0.163 5 10 DBBE O=C(O)[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 21808875 ZCUUXQVRJTUQEF-SSDOTTSWSA-N 324.698 -0.028 5 10 DBBE CN(C)CCNC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21 31845725 KBNXDOHUOMGTBN-UHFFFAOYSA-N 322.321 -0.002 5 10 DBBE CNCc1ccc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@H]2O)c1 50516760 BASMOEYZOACADK-PWSUYJOCSA-N 316.335 -0.149 5 10 DBBE COC(=O)Cn1c(=O)[nH]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2c1=O 59233434 LNQYPMWTFXQRMV-UHFFFAOYSA-N 324.205 -0.321 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] 316912056 FTUWPPBKLHOKRM-CAHLUQPWSA-N 323.352 -0.788 5 10 DBBE COCCN1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 609268826 DMAHIGHFJHLRKU-SNVBAGLBSA-N 312.330 -0.587 5 10 DBBE CNC[C@@H](O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 708891718 AOUZXILFGLNKIW-SNVBAGLBSA-N 303.340 -0.204 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CCO)C2CC2)n1 859014194 YBWSTTPYUBIGMJ-MRVPVSSYSA-N 304.328 -0.232 5 10 DBBE Cc1cccc(C(=O)N2CC(NS(N)(=O)=O)C2)c1[N+](=O)[O-] 1169436885 HSTKMQWFQUJYNY-UHFFFAOYSA-N 314.323 -0.479 5 10 DBBE CNC1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1328718462 LMIJEEVFVQZZBO-UHFFFAOYSA-N 303.344 -0.299 5 10 DBBE CN1C(=O)NCC12CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)CC2 1452033160 RQKCJFIUNQDJEH-UHFFFAOYSA-N 323.313 -0.798 5 10 DBBE COCCC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1524607134 VCPJAQMNSIQXBP-WRWGMCAJSA-N 311.338 -0.110 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCC2(C1)OCCO2 1567462948 KSUXNNITAJMSSU-SECBINFHSA-N 311.298 -0.012 5 10 DBBE COC(=O)[C@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 1643516380 GZXLIVOSZNFYRV-ZDUSSCGKSA-N 309.278 -0.073 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(C)(C)C(N)=O)CC1 1657478804 CXTJSXFBVKQHRN-UHFFFAOYSA-N 324.385 -0.019 5 10 DBBE N=c1cc([N+](=O)[O-])cc(N2CC[C@H](CS(N)(=O)=O)C2)[nH]1 2144386415 FYNOTALNDUFMEZ-ZETCQYMHSA-N 301.328 -0.483 5 10 DBBE N[C@H]1COCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2148816648 SJRZCGLOJXJDTB-QWRGUYRKSA-N 301.324 -0.011 5 10 DBBE C[C@H]1[C@@H](C)N(c2nc(=N)[nH]cc2[N+](=O)[O-])CCS1(=O)=O 2170283345 MFINJNQHBMFRNZ-RQJHMYQMSA-N 301.328 -0.191 5 10 DBBE CCS(=O)(=O)C[C@H](C)N=c1[nH]c(NN)ncc1[N+](=O)[O-] 2170590250 IJLVTYZYNYJKJQ-LURJTMIESA-N 304.332 -0.673 5 10 DBBE O=Cc1cc(N[C@H]2C[C@@H](CO)[C@H](O)[C@@H]2O)c([N+](=O)[O-])s1 2355673522 FPOGBPHUBQGBMH-ZGDSCGAWSA-N 302.308 -0.017 5 10 DBBE NC(=O)[C@@H]1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 88664798 MCOGYZHUBXXCEW-VIFPVBQESA-N 314.323 -0.957 5 10 DBBE NS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cnc1Cl 236293480 DRLZKZABEIQELK-UHFFFAOYSA-N 308.703 -0.339 5 10 DBBE CNc1c(C(=O)N2CC[C@@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] 319202851 OJAJAEIEWZRUIT-ZDUSSCGKSA-N 308.294 -0.301 5 10 DBBE COC(=O)[C@H](CF)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594779759 RKZYYYNBIKOIAV-LURJTMIESA-N 307.259 -0.221 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@]1(OCCO)CCOC1 598000708 ZGDGCLXEFMRHEN-GFCCVEGCSA-N 314.298 -0.925 5 10 DBBE COC[C@H](CCO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599265935 MDQNJIFCMLOXCK-ZETCQYMHSA-N 308.316 -0.996 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](O)C(F)(F)F)n1 599289901 LTHAJWIRBZLFAK-RXMQYKEDSA-N 318.233 -0.470 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H](O)[C@H]1CCCO1 599391965 NSDGEGMNTWRXQM-RKDXNWHRSA-N 317.323 -0.192 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@]2(C)CCOC2=O)n1 859164513 JDWYEMCIECJXCO-VIFPVBQESA-N 304.284 -0.688 5 10 DBBE COC[C@](C)(NC(=O)Cn1c([N+](=O)[O-])cnc1C)C(=O)OC 1127093517 HRNNEQRWQBKTCG-LBPRGKRZSA-N 314.298 -0.206 5 10 DBBE NC(=O)C1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1464949662 AXZGJBNFUGPWSO-UHFFFAOYSA-N 322.321 -0.083 5 10 DBBE Cn1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1533371398 YVPKNXAHCQUBJY-LVUHIJSRSA-N 307.310 -0.513 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCS(C)(=O)=O)n1 1584687546 YFTPQROSBVGSSO-UHFFFAOYSA-N 304.328 -0.072 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NCCCNS(C)(=O)=O)n1 1588269233 QERMRNJJQKIYSI-UHFFFAOYSA-N 316.339 -0.033 5 10 DBBE O=C1CC2(CCC2)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1 1620559854 DVCPGJDBFAHQBE-GFCCVEGCSA-N 323.353 -0.103 5 10 DBBE Cc1nn(CCC(=O)N2C[C@@H](CO)[C@@H](O)C2)c(C)c1[N+](=O)[O-] 1629600150 ACCLFEKJWZYRCT-QWRGUYRKSA-N 312.326 -0.390 5 10 DBBE CC(C)(O)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1719415884 YAUZJYNJORFHQM-LMLFDSFASA-N 313.354 -0.176 5 10 DBBE C[S@](=O)(=NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C1CNC1 1924599326 FSHSDZZPJVFZIH-LJQANCHMSA-N 320.352 -0.252 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N[C@@H]1CS(=O)(=O)C[C@@H]1O 2121465738 JPHFJLNDSRQOGM-UHNVWZDZSA-N 308.703 -0.392 5 10 DBBE CS(=O)(=O)C[C@H]1CCCN1c1ncnc(N)c1[N+](=O)[O-] 2151274116 RNNGVPRBCLQVDR-SSDOTTSWSA-N 301.328 -0.020 5 10 DBBE Nc1cc(S(=O)(=O)N2CC(F)(CO)C2)ccc1[N+](=O)[O-] 2172924196 CKIFWYVUHUMIQM-UHFFFAOYSA-N 305.287 -0.118 5 10 DBBE CCn1c(-c2c([N+](=O)[O-])cnn2C)nnc1S(N)(=O)=O 2186531027 CJMHIMRRUBXWGF-UHFFFAOYSA-N 301.288 -0.746 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 2192677845 PHUTUDDFFNNUEN-XPUUQOCRSA-N 303.296 -0.697 5 10 DBBE C[C@@H](CO)N(C)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 122571873 QLKBJSAQFJKXPI-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE CNC(=O)[C@@H]1COCCN1c1ncnc(Cl)c1[N+](=O)[O-] 160270133 CIWPLLBCLXGODO-LURJTMIESA-N 301.690 -0.011 5 10 DBBE CCN1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1=O 593600934 IXGDFPSMTXGHJK-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE C[C@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])N(C)C 599338864 IFBWVXIBVFQSPY-MRVPVSSYSA-N 305.360 -0.053 5 10 DBBE O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](O)C[C@@H](O)C1 610606785 XKDAFCVMOMLIKE-PHIMTYICSA-N 309.278 -0.513 5 10 DBBE COc1ccc(S(=O)(=O)Nc2nn[nH]n2)c([N+](=O)[O-])c1 709762496 QLTXEYFGFMTOOL-UHFFFAOYSA-N 300.256 -0.083 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CO)c1cncn1C 1149207259 ZKPBDFPTNCQVRZ-SECBINFHSA-N 308.298 -0.317 5 10 DBBE CN(CCNC(=O)c1cnnn1C)Cc1c([N+](=O)[O-])ncn1C 1267192679 FCNHHXKCUYMWRY-UHFFFAOYSA-N 322.329 -0.681 5 10 DBBE CO[C@@H](COC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCOC1 1327441635 LIRYGRSBCIAWPA-BDAKNGLRSA-N 300.271 -0.219 5 10 DBBE Cc1nc(N2CC(CO)C2)nc(N2CC(CO)C2)c1[N+](=O)[O-] 1339027934 GUUQCDKVKRUMCZ-UHFFFAOYSA-N 309.326 -0.450 5 10 DBBE CS(=O)(=O)C1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 1451466985 HAUGQESKEIRBRB-UHFFFAOYSA-N 308.703 -0.160 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 1471028686 DCZPRPCVKXOPSC-CHWSQXEVSA-N 321.293 -0.547 5 10 DBBE C[C@H](Cn1cncn1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1542560600 AAPZQNYRHMTZAQ-SECBINFHSA-N 306.282 -0.447 5 10 DBBE O=C1NC(=O)[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]12 1569368750 RDNLAJQIQZNBJG-DTORHVGOSA-N 305.246 -0.355 5 10 DBBE CCC(=O)N1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1622892356 WBBHIAQCTZHUPU-SNVBAGLBSA-N 322.321 -0.116 5 10 DBBE CS(=O)(=O)c1ccc(C(=O)Nn2ccnn2)c([N+](=O)[O-])c1 1636060179 UZOHQMJWDGBTGM-UHFFFAOYSA-N 311.279 -0.026 5 10 DBBE O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CCC[C@@H](CO)[C@H]1CO 1638921490 FUHKIBVPSJYYNB-GZMMTYOYSA-N 311.294 -0.099 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NN1C(=O)[C@H](C)N(C)C1=O 1641849457 MIMNRNSZNOEQKL-LURJTMIESA-N 310.270 -0.587 5 10 DBBE O=C(Cc1cnc[nH]1)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1701413595 WQAPWWUNBUOVBY-CNVPUSNMSA-N 321.337 -0.372 5 10 DBBE NC(=O)C1(N)CN(c2c(Br)cncc2[N+](=O)[O-])C1 2047097392 OZOYGRKWGFZZEF-UHFFFAOYSA-N 316.115 -0.245 5 10 DBBE C[C@@H](CS(N)(=O)=O)Nc1ccc(C(N)=O)c([N+](=O)[O-])c1 2152952722 IRQUYDHPOOBLPL-LURJTMIESA-N 302.312 -0.217 5 10 DBBE Cc1ncc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)n1C 2172305287 JMKZWAHVBKYYTM-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCCCS(N)(=O)=O)n1 2186534591 VVFOTIMFBXJWIO-UHFFFAOYSA-N 305.316 -0.873 5 10 DBBE CS(=O)(=O)[C@H]1C[C@@H](CN=c2[nH]cc([N+](=O)[O-])c(=N)[nH]2)C1 2192329733 ZRIQBIKCUKETLI-KNVOCYPGSA-N 301.328 -0.546 5 10 DBBE NC(CO)(CO)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 2286179377 MPWMYJWLAGZZBG-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE Cc1ncc([N+](=O)[O-])c(N[C@H]2COC[C@H]2S(C)(=O)=O)n1 2286608594 BZRVHKRAFBBKHU-IONNQARKSA-N 302.312 -0.083 5 10 DBBE O=C(O)[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 21808876 ZCUUXQVRJTUQEF-ZETCQYMHSA-N 324.698 -0.028 5 10 DBBE NS(=O)(=O)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 50102407 OLWHLXRLIKMETM-UHFFFAOYSA-N 323.352 -0.697 5 10 DBBE COc1ccc(S(=O)(=O)N2CCOC[C@@H]2N)c([N+](=O)[O-])c1 88378400 XLNBCXRWBLHHBO-LLVKDONJSA-N 317.323 -0.091 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 113215687 FGWROBHIYMUZAE-SSDOTTSWSA-N 314.323 -0.314 5 10 DBBE O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)CN1CCOCC1 128075126 DUXDHPKWWXVJAR-CQSZACIVSA-N 323.349 -0.053 5 10 DBBE C[C@@H](O)CNCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 132230685 LHTPNBHHHACHRA-SNVBAGLBSA-N 317.367 -0.015 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2COC[C@@H]2O)ccc1F 323487468 LPGPVQSYCNSMFY-WPRPVWTQSA-N 306.271 -0.228 5 10 DBBE N[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 721893478 XVJMFTOBMSMZQP-MNOVXSKESA-N 301.324 -0.011 5 10 DBBE Cc1[nH]nc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)c1[N+](=O)[O-] 1177596617 SRVKZUBXQRPFQA-JTQLQIEISA-N 323.309 -0.349 5 10 DBBE Cc1nc(CN(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])no1 1331555669 POZHNBALTBBTOI-UHFFFAOYSA-N 316.299 -0.160 5 10 DBBE COC(=O)[C@@H]1CSCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 1439292064 OZHGADPQZSXZBB-VIFPVBQESA-N 314.323 -0.092 5 10 DBBE Cc1cc(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(N)c([N+](=O)[O-])c1 1628055618 USAGNDKQCQAIEG-DTORHVGOSA-N 318.289 -0.170 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)n1 1644300527 ZFCTZIOLCGEBHO-SSDOTTSWSA-N 306.286 -0.046 5 10 DBBE Cn1nnnc1CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1653555662 KOLLGIJYTMXWSG-LBPRGKRZSA-N 320.309 -0.099 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)C 1660525290 RVSGUZBYPMFCOS-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE O=C(COCC(F)F)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1747783363 RCESNFCILQEXNR-HTQZYQBOSA-N 321.280 -0.302 5 10 DBBE NC1CC(O)(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 2163557457 XMJAWCZRFDIUOA-UHFFFAOYSA-N 301.324 -0.275 5 10 DBBE O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1cc([N+](=O)[O-])cs1 2177861805 XYTCRXZLETVSLP-PXMQNUKVSA-N 302.308 -0.511 5 10 DBBE NNc1cc(S(=O)(=O)NC[C@H]2CCO2)ccc1[N+](=O)[O-] 2189561279 CNWFHEJMFCFYCR-SSDOTTSWSA-N 302.312 -0.052 5 10 DBBE NNc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCO1 2189561931 GSBYJUDBBSTSPU-SSDOTTSWSA-N 302.312 -0.052 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 2192676882 LTYPVNFENNIWBU-SFYZADRCSA-N 302.312 -0.962 5 10 DBBE O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1NC[C@H](O)[C@@H]1O 2201148234 FSHRUCMRZSCBFM-AEJSXWLSSA-N 301.686 -0.120 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2232798863 YGYJMNPRUIRODZ-UHFFFAOYSA-N 306.275 -0.320 5 10 DBBE COCCN(CCO)S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 164608542 LYOYFXPMDDLQCO-UHFFFAOYSA-N 319.339 -0.194 5 10 DBBE Nc1cc(S(=O)(=O)N[C@H]2CNC(=O)C2)ccc1[N+](=O)[O-] 229364131 UXQPRPIWDIHFGF-ZCFIWIBFSA-N 300.296 -0.656 5 10 DBBE COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 359082672 FTWLEPDSHZTZDQ-DTWKUNHWSA-N 311.298 -0.014 5 10 DBBE C/C=C/C[C@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599281155 HOHGQHDVVSNBOT-MPJRPATESA-N 304.328 -0.066 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OCCOCCn1cccn1 729798409 HGYIUTCYAIYMMC-UHFFFAOYSA-N 310.270 -0.357 5 10 DBBE Nc1c(C(=O)N2C[C@@H](CO)[C@@H](CO)C2)cc(F)cc1[N+](=O)[O-] 1152424822 RQHAKQFWFGRTDC-OCAPTIKFSA-N 313.285 -0.011 5 10 DBBE CCc1nc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n[nH]1 1298438688 JICOJHNERLSXKF-UHFFFAOYSA-N 306.282 -0.247 5 10 DBBE COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1onc(C)c1[N+](=O)[O-] 1473859081 WZSLUWVGFVJQSM-QMMMGPOBSA-N 312.282 -0.293 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cccnn1 1713646381 GJJGDHJYJIRNBX-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE Cn1ncc(CCC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1736928349 KRRLVGRQHJVPQB-GHMZBOCLSA-N 324.341 -0.965 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC1(CO)CNC1 1918428411 BZFPMDCUHDBASS-UHFFFAOYSA-N 305.287 -0.654 5 10 DBBE NC[C@@H]1CC[S@](=O)(=NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 2154590701 LLBJMCRSRUSXHD-FFVOIRBGSA-N 301.328 -0.236 5 10 DBBE NC[C@@H]1CC[S@](=O)(=NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 2154593655 XIAGYZRZWSFKCS-FFVOIRBGSA-N 301.328 -0.236 5 10 DBBE NC1CC(O)(CNS(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2163554524 CCKDZZVLYCKXCO-UHFFFAOYSA-N 302.312 -0.880 5 10 DBBE O=Cc1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c1 2177849894 PDOJFGHIXOWOKK-KOLCDFICSA-N 300.292 -0.023 5 10 DBBE Cc1cc([N+](=O)[O-])c(=O)n(CCS(=O)(=O)CC(=O)O)c1 2240746729 ZGBUDNZBTBJHBD-UHFFFAOYSA-N 304.280 -0.436 5 10 DBBE Cc1ncc([N+](=O)[O-])c(=NCCCN(C)S(C)(=O)=O)[nH]1 2286680828 ZFEXJPVKMCBCIQ-UHFFFAOYSA-N 303.344 -0.191 5 10 DBBE CCC(CNCC(CC)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] 97972959 WZYADNPKBCHZSK-UHFFFAOYSA-N 309.235 -0.105 5 10 DBBE O=C(Nc1cnn(CC(=O)N2CCOCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] 363169503 RRKKBXKITQQIPN-GHMZBOCLSA-N 323.309 -0.654 5 10 DBBE O=C1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N1 595177880 RUDOSIHLXYEKHM-VIFPVBQESA-N 306.278 -0.072 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2CO)c1 704636091 TUTFNYYLQZJBTP-VHSXEESVSA-N 302.308 -0.289 5 10 DBBE C[C@@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@]1(C)CS(=O)(=O)C2 874504791 QIVTYVWPNWGTPU-IQIPOGNMSA-N 302.352 -0.065 5 10 DBBE CS(=O)(=O)C[C@H](O)CN=c1c(Cl)c[nH]cc1[N+](=O)[O-] 1187782653 HJHWMMJWGZKQGX-ZCFIWIBFSA-N 309.731 -0.118 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCCN2CCO 1558702677 VZIUTOMPIPTFGU-ZJUUUORDSA-N 309.326 -0.011 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1=CCOCC1 1584954616 ZBIHYTAQAOQVSB-GHMZBOCLSA-N 309.322 -0.237 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCn2cnnc2C1 1627388171 DCELSPYPTDPMQI-UHFFFAOYSA-N 304.266 -0.610 5 10 DBBE CS(C)(=O)=NCCNC(=O)c1cc(=N)[nH]cc1[N+](=O)[O-] 1913502905 MUURMZKDIKWINA-UHFFFAOYSA-N 301.328 -0.140 5 10 DBBE CNC(=O)[C@@H]1CNCCN1c1nc(Cl)ncc1[N+](=O)[O-] 2162817482 JMKJBCTVOLSCHQ-ZETCQYMHSA-N 300.706 -0.438 5 10 DBBE Cc1nc(NN)nc(N2CC[S@](=O)C[C@H]2C)c1[N+](=O)[O-] 2171986231 WPBBJMBDBPIPNR-ZFFJSCCISA-N 300.344 -0.064 5 10 DBBE O=C(C1CC1)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 360957826 NYIRAXDVOCMMFM-CHWSQXEVSA-N 324.337 -0.168 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)OCC[C@H]2C1 494094699 NNVALGZFXAILKM-QMMMGPOBSA-N 309.282 -0.005 5 10 DBBE COC(=O)c1[nH]c(=NCCF)[nH]c(=NCCF)c1[N+](=O)[O-] 596216304 MRHPFBIFQJQFLS-UHFFFAOYSA-N 305.241 -0.222 5 10 DBBE COCCN(CCOC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 898251222 PLYZDSAWIOZTMP-VXGBXAGGSA-N 301.343 -0.543 5 10 DBBE COC(=O)c1cc(C(=O)N2C[C@@H](O)[C@@H](CO)C2)cc([N+](=O)[O-])c1 1161337269 YSEDYLOZTQGXTK-ZYHUDNBSSA-N 324.289 -0.193 5 10 DBBE COC(=O)[C@H]1CC12CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)CC2 1318475786 HYMPKRAHDHIUID-SECBINFHSA-N 323.309 -0.012 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](NC(N)=O)C1 1323131842 LVRYMRUXWQMSMO-VIFPVBQESA-N 310.314 -0.241 5 10 DBBE CCN(CCNC(=O)Cn1nccc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496752212 YDPVOEZGMWGKLS-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[S@](=O)C1 1567604120 UXMZHXWUVSRQEX-SQFXPLBJSA-N 301.328 -0.587 5 10 DBBE CN1CCN(C(=O)CNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 1607904655 YGPCGOUDAHQJHQ-UHFFFAOYSA-N 322.325 -0.924 5 10 DBBE CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1626996422 VAGBBJAGVDPXMO-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE CNC(=O)[C@H]1CCC[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1630803060 CHAMSICBJNOWFN-UWVGGRQHSA-N 322.321 -0.213 5 10 DBBE NS(=O)(=O)C[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 1648035045 FZWYQQPGMDZQIK-JTQLQIEISA-N 317.371 -0.066 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cnccn1 1688325981 XUIMRZTXVWOMKU-VXGBXAGGSA-N 321.337 -0.351 5 10 DBBE CNC1CN(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 2159016569 UIMVAQGJHADNAS-UHFFFAOYSA-N 302.312 -0.139 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2174119390 PRLPKUNDMCVAPY-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2174124813 ZFFCVZHPRSCQCX-GZMMTYOYSA-N 304.324 -0.244 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@H]2CNC[C@@H]2S(C)(=O)=O)[nH]1 2239243753 FXLUNWVCJOOTRR-CBAPKCEASA-N 303.344 -0.970 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 126754579 MDHXFBMYCNEFFI-UHFFFAOYSA-N 317.327 -0.705 5 10 DBBE CS(=O)(=O)NCCNc1cc(C(=O)O)c([N+](=O)[O-])cn1 235028070 PCCALNPSZRQITD-UHFFFAOYSA-N 304.284 -0.351 5 10 DBBE COCCN(CCN(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 355216341 DWSGXKBRFPULKP-UHFFFAOYSA-N 300.319 -0.777 5 10 DBBE CCOCCO[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 441850085 SKOREGZRPQFMQM-JTQLQIEISA-N 313.314 -0.160 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1O 593610155 RYXQERCMYXGKNK-RKDXNWHRSA-N 303.296 -0.630 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Nc2nc(F)ncc2[N+](=O)[O-])C1 688994667 AEDNXDTYMTWDQF-ZCFIWIBFSA-N 305.291 -0.030 5 10 DBBE CN(C)C[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 716779623 PSLPPMQSSFCVJV-QMMMGPOBSA-N 304.328 -0.809 5 10 DBBE CNC(=O)[C@]1(C)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1156085518 ZJTHDCHDFAIUDI-CQSZACIVSA-N 322.321 -0.259 5 10 DBBE CCNC(=O)CN1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1278052232 SQIDBXRYTKTSPY-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE CN(Cc1cnc[nH]1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1351382135 RRPXNVHPUSSTOP-UHFFFAOYSA-N 300.300 -0.128 5 10 DBBE Cc1ccnc(N2CCN3[C@@H](CNS3(=O)=O)C2)c1[N+](=O)[O-] 1458635306 XKBWFBWDPHYLRT-VIFPVBQESA-N 313.339 -0.363 5 10 DBBE CN(C)C(=O)CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1464457649 ABQQWHDCRQRWNB-UHFFFAOYSA-N 310.310 -0.259 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC1CS(=O)(=O)C1 1522359998 DJPMPUUKQSZWJB-UHFFFAOYSA-N 316.339 -0.349 5 10 DBBE Cc1ccn(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1528111942 ZUOOBSVQBIPCAH-GHMZBOCLSA-N 309.326 -0.569 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)CN2CCCCC2)n1 1630556866 RRYYVRDCUHJOCZ-SNVBAGLBSA-N 311.342 -0.095 5 10 DBBE CN(C)C[C@]1(O)CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 1642862427 AGSYHFMQGHJFOR-CQSZACIVSA-N 323.353 -0.018 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CCNC[C@@H]2CO)c1 2152186897 NAAPOXISAIRRCZ-SNVBAGLBSA-N 301.324 -0.450 5 10 DBBE NS(=O)(=O)NCCN=c1[nH]c2ccc([N+](=O)[O-])cc2o1 2157535129 RMFBIGHSYQTLLE-UHFFFAOYSA-N 301.284 -0.637 5 10 DBBE CNS(=O)(=O)c1ccc(NOC2CNC2)c([N+](=O)[O-])c1 2179469920 VRGAZOIPULHLGI-UHFFFAOYSA-N 302.312 -0.182 5 10 DBBE O=C(O)[C@H](N=c1cc[nH]cc1[N+](=O)[O-])C1CS(=O)(=O)C1 2197523033 BYJPWUHCLFOLBM-SECBINFHSA-N 301.280 -0.679 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1(CO)CNC1 2201717507 VLXUWQQJTIJLJT-UHFFFAOYSA-N 301.324 -0.545 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1OCCS(=O)(=O)CCN 2360920177 VUPLPQLZRBJVQP-UHFFFAOYSA-N 306.344 -0.128 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@@H](O)C(N)=O)cc1[N+](=O)[O-] 227838970 UWJOCQPMNRMRFT-SECBINFHSA-N 303.296 -0.972 5 10 DBBE CNS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 452570598 CSPAVQQYQSYESA-QMMMGPOBSA-N 316.339 -0.174 5 10 DBBE COC(=O)CCNC(=O)Cn1cc([N+](=O)[O-])cc(F)c1=O 519707386 CKOSLSCNAIMHMA-UHFFFAOYSA-N 301.230 -0.425 5 10 DBBE O=C1NCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 693856330 PTFDBAVYARDIBV-QMMMGPOBSA-N 303.271 -0.099 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)c1 710868439 XEOBCFQGFCHPJK-NXEZZACHSA-N 303.296 -0.582 5 10 DBBE O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CO)C1 1117092526 BABZCDHGWVAQKF-UHFFFAOYSA-N 307.306 -0.296 5 10 DBBE C[C@H](O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 1137984372 LMKTXOSRCNCDJC-VIFPVBQESA-N 322.321 -0.158 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 1175345435 PIXHFJNUJKGYNN-UHFFFAOYSA-N 310.262 -0.037 5 10 DBBE CCS(=O)(=O)C[C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1319631704 QYZFSZJJHNHKSX-SSDOTTSWSA-N 304.328 -0.119 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3nccnc3C2)n1 1334973832 ZWVHRMUQTQCZOF-UHFFFAOYSA-N 324.322 -0.135 5 10 DBBE C[C@@H]1CN(CCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CCO1 1559356485 LYZFRLYMHMJKGX-SECBINFHSA-N 310.310 -0.424 5 10 DBBE Cc1nc(CC(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 1582946598 QBFMYFFEXMWFIR-NXEZZACHSA-N 324.341 -0.762 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@@H](O)[C@@H](CO)C1 1626172418 RJZXGCMTWPWAJH-PRHODGIISA-N 314.269 -0.076 5 10 DBBE CNC(=O)NCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 1627217720 WEYQWZMHQXHHAU-UHFFFAOYSA-N 310.266 -0.018 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1C(=O)CSC1=O 1630660611 XRZKNQNIXPUENL-UHFFFAOYSA-N 313.295 -0.247 5 10 DBBE O=C1NCCO[C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)[C@H]12 1648125136 XIPJFVKRYPISEW-PWSUYJOCSA-N 309.326 -0.229 5 10 DBBE CCN(CCNC(=O)c1cnnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737794925 TYKUTJIKTBFGCO-RKDXNWHRSA-N 310.314 -0.941 5 10 DBBE CCN(C)CCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1739559945 WKBGESUCDLLRKO-VXGBXAGGSA-N 312.370 -0.337 5 10 DBBE Cc1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1 1758162575 ZXTCNBDECAHVIY-GHMZBOCLSA-N 307.310 -0.314 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2C[C@H](O)C[C@@H]2O)c1 2164982215 SYLULFILMLREIA-SFGNSQDASA-N 303.296 -0.848 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=N[C@@H](C)CS(C)(=O)=O)[nH]1 2286629704 DWYWZQUUBBHAJW-ZETCQYMHSA-N 304.328 -0.202 5 10 DBBE CC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](O)[C@@H](O)[C@H]2CO)s1 2357916482 YQSUJDXDVBLWHO-MRTMQBJTSA-N 302.308 -0.238 5 10 DBBE CS(=O)(=O)C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1O 2360522862 OXAWSDFEFIKCII-ZETCQYMHSA-N 303.296 -0.389 5 10 DBBE Nc1ccc(S(=O)(=O)NC[C@H]2COCCO2)c([N+](=O)[O-])c1 50662518 ABEXSUTTWLYPBF-VIFPVBQESA-N 317.323 -0.129 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cn1 157393769 RICDCSGBGZEPDV-QMMMGPOBSA-N 302.312 -0.744 5 10 DBBE NC[C@@H]1CN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CCO1 165636796 QUUZYQUEPKDRFR-MRVPVSSYSA-N 317.323 -0.351 5 10 DBBE O=C(NC[C@]1(OCCO)CCOC1)c1cc([N+](=O)[O-])n[nH]1 597993022 YQFMDVKSBLCIAU-LLVKDONJSA-N 300.271 -0.784 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](O)C(F)(F)C1 598000280 HYDUOBOICDHXNT-SECBINFHSA-N 317.248 -0.015 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCNC(=O)C2CC2)n1 599206455 OLWWLAGWOBNDET-UHFFFAOYSA-N 317.327 -0.867 5 10 DBBE O=C1NCC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 693858258 ZYSAUWLBOKGDRO-SSDOTTSWSA-N 303.271 -0.099 5 10 DBBE O=c1nc(O)c([N+](=O)[O-])cn1CC1CCS(=O)(=O)CC1 694000842 XYZMLFSHIOXSCI-UHFFFAOYSA-N 303.296 -0.318 5 10 DBBE CS(=O)(=O)NC1CN(CC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 703156609 OVPPQJKIYWASAY-UHFFFAOYSA-N 302.312 -0.661 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCN(CCCO)C1 1158483750 SFSQBNLWVWUAKU-JTQLQIEISA-N 312.330 -0.851 5 10 DBBE CCc1[nH]nc(C(=O)N[C@H](CO)Cc2cnn(C)c2)c1[N+](=O)[O-] 1451805139 XYULQLVHLAICJE-VIFPVBQESA-N 322.325 -0.053 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC(=O)N(C)C1=O 1461070422 ZDTVYETXPVCLGM-MRVPVSSYSA-N 309.282 -0.637 5 10 DBBE COC(=O)C[C@H]1COCCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 1556884364 XUOWPVRMIFSMRM-VIFPVBQESA-N 324.293 -0.024 5 10 DBBE O=C(O)[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CN1 1615977151 IQLHLVLQJURSHW-YUMQZZPRSA-N 315.307 -0.312 5 10 DBBE CS(=O)(=O)NC1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 1641632707 QKPYVRCQYWBWRQ-UHFFFAOYSA-N 323.718 -0.655 5 10 DBBE Cc1cn(C)nc1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704883131 CHMGYLDWXVRVJD-GHMZBOCLSA-N 323.353 -0.076 5 10 DBBE CCN(CCNC(=O)c1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721133552 NKQXRMNNKZDABO-GHMZBOCLSA-N 309.326 -0.336 5 10 DBBE CCN(CCNC(=O)c1cnn(C)c1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737786808 HZOUKSYFIWRBCW-ZYHUDNBSSA-N 323.353 -0.028 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NCC[C@H]1CNCCS1(=O)=O 1916402984 BAHXJZXQRYLQKH-QMMMGPOBSA-N 303.344 -0.483 5 10 DBBE O=C(O)[C@@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O 1940174730 HQGNRATVUVZGCI-LURJTMIESA-N 307.056 -0.036 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]2C[C@H]1CS2(=O)=O 1972709897 NDYXTVDXAQYPNJ-VHSXEESVSA-N 300.340 -0.029 5 10 DBBE COc1ncnc(N2CCS(=O)(=O)CCN2)c1[N+](=O)[O-] 2146662679 RLALNAOMSGYYRV-UHFFFAOYSA-N 303.300 -0.867 5 10 DBBE NC[C@@H]1COCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2153168352 OKCOXCDFISHCSN-SECBINFHSA-N 301.324 -0.057 5 10 DBBE Cc1c(CNS(=O)(=O)N2CC(N)C2)cccc1[N+](=O)[O-] 2159021713 GVUSBUHLUPNQCZ-UHFFFAOYSA-N 300.340 -0.119 5 10 DBBE CN=c1[nH]c(N=[S@]2(=O)CC[C@H](CN)C2)ncc1[N+](=O)[O-] 2173818972 TXNWPAZVSGPCFW-GLEHDBDLSA-N 300.344 -0.074 5 10 DBBE O=C(O)CC1CCN(S(=O)(=O)N2CC([N+](=O)[O-])C2)CC1 2191541478 ZOUXFEKGFXODNP-UHFFFAOYSA-N 307.328 -0.621 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 2192676034 JMNLFRQTLKWVPG-IUCAKERBSA-N 302.312 -0.962 5 10 DBBE CCCS(=O)(=O)CCNc1ncnc(NN)c1[N+](=O)[O-] 2204663960 CYGVTSYCAVUSCU-UHFFFAOYSA-N 304.332 -0.093 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)[C@H]2CCCNC2)n1 2240627698 VCDQKEWWBMBIIQ-QMMMGPOBSA-N 303.344 -0.500 5 10 DBBE O=[N+]([O-])c1ccc(S[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 44170543 IXFOBQXJWRLXMD-HTFCKZLJSA-N 317.319 -0.513 5 10 DBBE CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50655940 CXKKZKNWBFFXFE-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(NN)c2)C1 131310077 OJWNNMRRRNSVKV-MRVPVSSYSA-N 315.355 -0.137 5 10 DBBE C[C@H](O)CNCCNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 132249028 INQJLUILNSLTNR-QMMMGPOBSA-N 321.330 -0.017 5 10 DBBE CC(C)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O 272477142 APFSYYIOYOGOIV-GFCCVEGCSA-N 311.342 -0.295 5 10 DBBE CN(C)c1cccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)n1 339191660 WQONFQYNBJORLP-UHFFFAOYSA-N 305.298 -0.036 5 10 DBBE CN(C)[C@@]1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCSC1 360355482 YXFAVMIJVHFOEF-LLVKDONJSA-N 314.371 -0.260 5 10 DBBE Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC[C@](C)(O)CO)cc21 588038211 ITHMJTOGJQGOHV-ZDUSSCGKSA-N 310.310 -0.060 5 10 DBBE NC(=O)c1ccnc(N2CC[C@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] 1117688536 WMNLDVAPAKXIAV-ZDUSSCGKSA-N 305.294 -0.195 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN(Cc2cn[nH]c2)CC1 1142589720 PQTRAMSRPLIEJO-UHFFFAOYSA-N 305.298 -0.001 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[C@H](O)[C@H](O)CC1 1178281361 NCWFOXNVZJCPSC-RTCCRHLQSA-N 312.326 -0.120 5 10 DBBE CNC(=O)[C@H](O)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 1183185453 OZVHRNIYWAWCHW-GFCCVEGCSA-N 320.305 -0.227 5 10 DBBE COc1ccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1284552660 SGLPLBSMXQIZQL-GHMZBOCLSA-N 322.321 -0.056 5 10 DBBE CC(=O)NC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 1320011123 PJNXOECMBFASMN-SECBINFHSA-N 311.298 -0.695 5 10 DBBE C[C@@H](O)[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 1331349512 GHAGOTFIULAETR-VXNVDRBHSA-N 320.327 -0.901 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN([C@H]2CCC[C@H]2O)CC1 1442799616 FYAYJQYEFXVGEH-GXSJLCMTSA-N 309.326 -0.011 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)n1 1528082158 ZKTBGYCJZFSYJE-PSASIEDQSA-N 323.309 -0.459 5 10 DBBE CC(C)NC(=O)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1568480612 NEWCNFWOIJGDFB-GHMZBOCLSA-N 300.359 -0.434 5 10 DBBE Cc1cnc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1738435951 NQCDDRNWWKPETM-RXUHEVMZSA-N 319.321 -0.148 5 10 DBBE Cc1c(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1742739837 OTBBROWQOJKQGP-MWLCHTKSSA-N 309.326 -0.370 5 10 DBBE NC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ncc1Br 2062351502 SEYQKGDJPJRZCH-YFKPBYRVSA-N 319.115 -0.198 5 10 DBBE COC(=O)c1ccncc1S(=O)(=O)N1CC([N+](=O)[O-])C1 2191534709 DAULGBDFEJSDDE-UHFFFAOYSA-N 301.280 -0.482 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NC[C@@]1(C)CCCS(=O)(=O)C1 2194296757 IAGPKHOCEKQXMJ-SNVBAGLBSA-N 303.344 -0.228 5 10 DBBE NCC(CO)(CO)NC(=O)c1cc(Cl)ncc1[N+](=O)[O-] 2280457003 XBDYUQNVHDBUPG-UHFFFAOYSA-N 304.690 -0.945 5 10 DBBE CO[C@H](CO)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 2295305346 ICNJYXMXVDQAGJ-ZETCQYMHSA-N 305.312 -0.537 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1COCCO1 50662527 PUHFMNTYFFHZJB-SECBINFHSA-N 317.323 -0.129 5 10 DBBE NS(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 70214147 GCCUCLJOMUWWSK-UHFFFAOYSA-N 312.300 -0.204 5 10 DBBE NNc1c(C(=O)NCCCS(N)(=O)=O)cccc1[N+](=O)[O-] 161531666 UCAZAUXBQOPDLB-UHFFFAOYSA-N 317.327 -0.711 5 10 DBBE COC[C@H](O)CN(C)C(=O)CCn1cc([N+](=O)[O-])nc1C 177379152 KBNUIHDZUDJSBL-SNVBAGLBSA-N 300.315 -0.044 5 10 DBBE C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@](O)(C(N)=O)C1 276448840 MMLSNEHUEZDJEK-OTYXRUKQSA-N 322.321 -0.156 5 10 DBBE CC(C)(O)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 358473307 WKKYTAYICJMKJP-UHFFFAOYSA-N 312.330 -0.899 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN2CCOC[C@H]2C1 371787519 BVJVWXDIJHFXIZ-LLVKDONJSA-N 309.326 -0.357 5 10 DBBE C[C@](O)(CO)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598625962 VJCCQVWUZZCTIY-GFCCVEGCSA-N 313.314 -0.623 5 10 DBBE CS[C@H](CO)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599266393 NZIHBOGOFBXCHN-POYBYMJQSA-N 324.384 -0.281 5 10 DBBE C[C@@H](O)[C@H](O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 717402086 ORWMQSIRMDPBBJ-LDYMZIIASA-N 304.324 -0.244 5 10 DBBE C[C@H]1[C@H](C(N)=O)CC[C@@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 1278757230 ZTYNGSSXBCYMIM-HRDYMLBCSA-N 310.314 -0.313 5 10 DBBE COCCOCCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1284900468 MJQDISBBLCPZQL-GHMZBOCLSA-N 315.326 -0.968 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](CN2CCOCC2)C1 1318701345 ISOMDRYBMDLCCK-NSHDSACASA-N 324.341 -0.633 5 10 DBBE CN(CCNC(=O)c1ccn(C)n1)Cc1c([N+](=O)[O-])ncn1C 1567319086 ZHYGAEYWTZRXAT-UHFFFAOYSA-N 321.341 -0.076 5 10 DBBE CN1CCN(C(=O)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1607897037 NSEZEYKZDBRJQL-UHFFFAOYSA-N 322.325 -0.924 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(CCO)[C@H](C)C1 1633547044 LJYMMQPBTNIQQP-SNVBAGLBSA-N 311.342 -0.375 5 10 DBBE CN(CCNCC(=O)NCC1CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1663924184 QOUFXHFJPKURFA-VXGBXAGGSA-N 312.370 -0.384 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnc(C)[nH]1 1759001706 YPOPLWAUCSQGGI-MWLCHTKSSA-N 309.326 -0.038 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1CCOC[C@@H]1[C@@H](O)CO 2146325155 CUUYZCYKWJHPLD-BDAKNGLRSA-N 302.308 -0.150 5 10 DBBE NC[C@]1(CO)COCCN1c1ncnc(Cl)c1[N+](=O)[O-] 2162789794 KLUFXRXHGKFGCO-JTQLQIEISA-N 303.706 -0.435 5 10 DBBE CS(=O)(=O)CCOc1ccc([N+](=O)[O-])c(C(=N)NO)n1 2189905586 CMKQGWMUYUWVDD-UHFFFAOYSA-N 304.284 -0.283 5 10 DBBE O=C(O)[C@@H](Cc1nccs1)NC(=O)N1CC([N+](=O)[O-])C1 2191516612 JYPCBTCFNGWCNW-SSDOTTSWSA-N 300.296 -0.191 5 10 DBBE Cc1nn(C)c(N[C@@H]2CNC[C@@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2192674182 BIXCIEAGIQEAMD-SFYZADRCSA-N 303.344 -0.566 5 10 DBBE COc1nccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)c1[N+](=O)[O-] 2288671274 ZWYMUKSGHYBHLK-SFYZADRCSA-N 303.296 -0.432 5 10 DBBE CO[C@H](CN)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2365474077 JYSAOXCFSYTNSD-LLVKDONJSA-N 303.340 -0.012 5 10 DBBE C[C@@H](O)[C@@H](N)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 126847367 SSMUQFFMLCDLIM-SVRRBLITSA-N 307.303 -0.280 5 10 DBBE C[C@@H](O)CNCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 132272267 KIENOYRGRRKIOX-MRVPVSSYSA-N 319.339 -0.451 5 10 DBBE CN(C)C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 246692723 IOACDQJSZUVNLM-CHWSQXEVSA-N 313.358 -0.585 5 10 DBBE CN(C)C(=O)CCN1CCN(C(=O)c2cc([N+](=O)[O-])[nH]n2)CC1 286661552 DHKJUYCWLZKBSD-UHFFFAOYSA-N 324.341 -0.446 5 10 DBBE C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 339409308 JXTNYGZQKBHAGI-VHSXEESVSA-N 322.321 -0.131 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@]1(O)CCOC1 594765013 FOAAXXSVLGOWGN-SNVBAGLBSA-N 303.296 -0.581 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](O)C(F)(F)C2)c1 595660262 CNRDVSLBVSIMLQ-NXEZZACHSA-N 306.269 -0.146 5 10 DBBE CN(C(C)(C)C(=O)O)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600665740 WUYAESNATCYAPO-UHFFFAOYSA-N 306.300 -0.188 5 10 DBBE CN1CCN(C(=O)CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 744170802 MPFOBBJSTILAIF-UHFFFAOYSA-N 322.325 -0.725 5 10 DBBE Cn1ncnc1C1(O)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 1455276539 SBDIWBLRSWEQOG-UHFFFAOYSA-N 319.277 -0.228 5 10 DBBE O=C(c1cc([N+](=O)[O-])cnc1O)N1CC(N[C@H]2CCOC2)C1 1472624795 WXLWQMDGXOJZMP-QMMMGPOBSA-N 308.294 -0.102 5 10 DBBE Cc1cc([N+](=O)[O-])cnc1N(C)CCNC(=O)Cn1ncnn1 1487406884 ZALGTVDOXFSJEX-UHFFFAOYSA-N 320.313 -0.463 5 10 DBBE O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(CO)(CO)C1 1557690672 VMJKZSXPIXJZSE-LBPRGKRZSA-N 310.306 -0.169 5 10 DBBE CCc1[nH]nc(C(=O)N2CC[C@](O)(C(=O)OC)C2)c1[N+](=O)[O-] 1558105162 QMOMLKWRPZGVHV-GFCCVEGCSA-N 312.282 -0.370 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1[nH]nnc1C 1577539964 DTXQXLPGDUULJV-NXEZZACHSA-N 324.341 -0.253 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCC(=O)NCC(F)F 1586335968 WPEIILOCTLHCGC-UHFFFAOYSA-N 305.241 -0.403 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1c(F)cccc1[N+](=O)[O-] 1653050369 QWWJFVLQHZDFRJ-SSDOTTSWSA-N 320.298 -0.131 5 10 DBBE CN(C)CC1(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1704202615 GIXRQFKASXIXOM-GHMZBOCLSA-N 312.370 -0.432 5 10 DBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCNCC1 1859461810 YYXPFLHSJYKJIU-UHFFFAOYSA-N 318.289 -0.377 5 10 DBBE O=C(O)CNC(=O)CNC(=O)C(=O)Cc1ccccc1[N+](=O)[O-] 1866062372 NPRVIBWXLRUQAQ-UHFFFAOYSA-N 323.261 -0.977 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CONC1=O 2148981474 MZYNXVUVHICAEX-SSDOTTSWSA-N 301.280 -0.388 5 10 DBBE Cc1c([N+](=O)[O-])ccnc1CO[C@H]1CS(=O)(=O)C[C@@H]1N 2177957726 BKRDVRXHNZNYMD-KWQFWETISA-N 301.324 -0.061 5 10 DBBE COC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])cs1 2358555317 IAIPFFBWNRVIPQ-OYNCUSHFSA-N 302.308 -0.151 5 10 DBBE CN(CC(=O)O)C(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21 31846755 ULYXKXVEXJRRAX-UHFFFAOYSA-N 323.261 -0.137 5 10 DBBE Cn1cnnc1CNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50661882 VEENUVWFWQAWAS-UHFFFAOYSA-N 312.311 -0.216 5 10 DBBE NNc1sc(S(=O)(=O)NCc2ncon2)cc1[N+](=O)[O-] 231820043 GIJTXAHEKXTMCN-UHFFFAOYSA-N 320.312 -0.197 5 10 DBBE COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 352076429 JLCSPOZSFWRBSC-YFKPBYRVSA-N 310.309 -0.532 5 10 DBBE NC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCO1 595109760 NKKUTIMUACSIBZ-SNVBAGLBSA-N 316.339 -0.272 5 10 DBBE CN(C)S(=O)(=O)N1CC(Nc2ccnc(O)c2[N+](=O)[O-])C1 599185924 XKWKQHKDEDCLKF-UHFFFAOYSA-N 317.327 -0.402 5 10 DBBE COCCOCCN(CCO)C(=O)c1n[nH]cc1[N+](=O)[O-] 600237951 DQIHEOVWVAFECM-UHFFFAOYSA-N 302.287 -0.585 5 10 DBBE C[C@@]12CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O 1471029688 HZXGODCZWOWYHX-RYUDHWBXSA-N 307.266 -0.557 5 10 DBBE CN1CCN(C)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 1597658314 MUKBZOOFODXQPL-UHFFFAOYSA-N 322.369 -0.109 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCN(CC(N)=O)C2)n1 1632880069 DNCMVKPTWVYECE-SNVBAGLBSA-N 321.337 -0.022 5 10 DBBE CN(C)S(=O)(=O)N1CC(Nc2nn(C)cc2[N+](=O)[O-])C1 1643009403 VFPTVOWMLAABNN-UHFFFAOYSA-N 304.332 -0.769 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cn(C)nn1 1746894576 IUVFJCSYBKCNSP-PSASIEDQSA-N 310.314 -0.989 5 10 DBBE NNc1cccc(NCCCNS(N)(=O)=O)c1[N+](=O)[O-] 2157534420 JPNVJAJHQPGSCD-UHFFFAOYSA-N 304.332 -0.525 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N[C@]1(C(=O)O)CCS(=O)(=O)C1 2172200522 YIWFZJFGBRGHCO-SECBINFHSA-N 304.284 -0.618 5 10 DBBE O=C(O)CNC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21 31845526 GRRSXMKFMPXUSH-UHFFFAOYSA-N 309.234 -0.479 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN)C1 49086976 MTSZXRGDLXVKGP-MRVPVSSYSA-N 315.355 -0.137 5 10 DBBE O=C(NC[C@H]1CNC[C@H]1O)c1n[nH]c2ccc([N+](=O)[O-])cc12 262344876 TZSJIMSXYVCCHV-RDDDGLTNSA-N 305.294 -0.219 5 10 DBBE NC(=O)[C@@]1(O)CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 276515404 RYKQJARKMFTAGO-CQSZACIVSA-N 322.321 -0.155 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(F)(F)C[C@@H]2CO)c1 366678159 LQLSVEUINIYHAG-SCZZXKLOSA-N 306.269 -0.146 5 10 DBBE CC(C)C[C@@H]1C(=O)NCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 438373874 HLYCXHSPNFDQRA-SECBINFHSA-N 310.314 -0.441 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2C[C@H]1C[S@]2=O 593381565 INDMIAMEAGEHGX-LDWJRDSOSA-N 313.339 -0.294 5 10 DBBE COC(=O)[C@@]1(OC)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 599139553 NCPGWWVKDDHLET-CYBMUJFWSA-N 324.293 -0.143 5 10 DBBE O=C1CN(CC(=O)OCc2cc(O)ccc2[N+](=O)[O-])C(=O)N1 837515532 VGZIAHMNVMDHSZ-UHFFFAOYSA-N 309.234 -0.105 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1[C@H](CO)CC[C@H]1CO 1143561984 JXFWATNUXQHDRB-UWVGGRQHSA-N 311.294 -0.899 5 10 DBBE CN(CCNC(=O)CCn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1527931080 OZCGDYXZJHMCJH-GHMZBOCLSA-N 309.326 -0.487 5 10 DBBE CCCNC[C@H](O)Cn1c(=O)c([N+](=O)[O-])cn(CC)c1=O 111544524 PVTLCTJQVGJCKX-VIFPVBQESA-N 300.315 -0.701 5 10 DBBE NS(=O)(=O)CCCNc1ncc(C(=O)O)cc1[N+](=O)[O-] 162405355 HRKMXTHFGUERPI-UHFFFAOYSA-N 304.284 -0.222 5 10 DBBE O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CC(O)C1 340559428 ZYVVJAQPRJRBSD-VIFPVBQESA-N 309.278 -0.005 5 10 DBBE COC(=O)c1cn(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 363959623 FKRSTCQHZLWWIH-MWLCHTKSSA-N 323.309 -0.107 5 10 DBBE CN1C[C@@H]2[C@H](CCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 590446970 XPUOUPBYCAYPFI-ZYHUDNBSSA-N 306.322 -0.081 5 10 DBBE Cc1cc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)nn1C 688118772 BXKMILOMXOKFKC-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](O)CO 698918147 JINBYYRBYSOOEV-HZGVNTEJSA-N 308.287 -0.246 5 10 DBBE C[C@@H](O)[C@H](O)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 717413606 FHRUYCHHWQTRHP-LHLIQPBNSA-N 308.287 -0.246 5 10 DBBE O=C1N[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@H]2CO1 1321149175 MROBPJGLMCZAHR-SFYZADRCSA-N 310.270 -0.857 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccnc(O)c1 1358661144 FCCDSOVNUZUOBQ-NXEZZACHSA-N 320.305 -0.169 5 10 DBBE CCNC(=O)CN1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 1484407461 ZZNYFKVJAOCHOK-WRWGMCAJSA-N 310.354 -0.822 5 10 DBBE CN(CCNC(=O)CCCn1ccnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496211210 APYMSEDBZOLVMZ-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCN(CC(F)F)C1 1558087519 ARUUNLJEJBVEQM-QMMMGPOBSA-N 318.284 -0.111 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1csc([N+](=O)[O-])c1 1558636321 PVTXYZWPHZUWCP-SSDOTTSWSA-N 308.337 -0.208 5 10 DBBE CC(C)N(C)CC(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1567818325 HGRMDZILVGIJQK-UHFFFAOYSA-N 324.385 -0.031 5 10 DBBE COC(=O)Cn1nc(C)c(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C 1624432971 RPFFAKSKFUIXCL-MWLCHTKSSA-N 310.310 -0.046 5 10 DBBE CC[C@H](CS(C)(=O)=O)N=c1[nH]c(=N)[nH]c(C)c1[N+](=O)[O-] 2146287608 HNAWMKIGSBJMRU-SSDOTTSWSA-N 303.344 -0.237 5 10 DBBE CC[C@@H](CS(C)(=O)=O)N=c1[nH]c(=N)[nH]c(C)c1[N+](=O)[O-] 2146287609 HNAWMKIGSBJMRU-ZETCQYMHSA-N 303.344 -0.237 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2174117790 ZFFCVZHPRSCQCX-GZMMTYOYSA-N 304.324 -0.244 5 10 DBBE O=[N+]([O-])c1c(N[C@H]2CS(=O)(=O)C[C@H]2O)nc2sccn12 2177811899 GKKRVHNVTBWUQO-NTSWFWBYSA-N 318.336 -0.126 5 10 DBBE Cc1[nH]c(=N)[nH]c(=N[C@@H]2C[P@](C)(=O)C[C@@H]2O)c1[N+](=O)[O-] 2177951767 JITGKWIKDATYPY-BRIIVKAVSA-N 301.243 -0.324 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2ccc(NN)cc2[N+](=O)[O-])C1 49086982 GDXVYWQEKXMRJF-SECBINFHSA-N 315.355 -0.137 5 10 DBBE Nc1cc(S(=O)(=O)NC[C@H]2CCC(=O)N2)ccc1[N+](=O)[O-] 132757771 AXDMUOSTOFJJGX-SSDOTTSWSA-N 314.323 -0.266 5 10 DBBE NNc1ccc(S(=O)(=O)NN2CCOCC2)c([N+](=O)[O-])c1 148567111 INEKSIWSMMHDQA-UHFFFAOYSA-N 317.327 -0.594 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 159074658 IGLZHRGVKOKYIQ-GOSISDBHSA-N 307.353 -0.166 5 10 DBBE CS(=O)(=O)NCCCNc1nc(NN)ccc1[N+](=O)[O-] 230976052 IPAKEMKWASEYEV-UHFFFAOYSA-N 304.332 -0.373 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1[C@H]1CCS(=O)(=O)C1 306034727 XDEZDDTVKMTNJP-LURJTMIESA-N 324.340 -0.893 5 10 DBBE COCCN1CCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 341865996 NUQHPGIECXATCV-JTQLQIEISA-N 312.330 -0.587 5 10 DBBE CNCC1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599098207 RAUBJSHDGLTPED-UHFFFAOYSA-N 317.371 -0.052 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](CO)O1 599287750 FNCCVUWQXPHHMF-JGVFFNPUSA-N 320.327 -0.901 5 10 DBBE COCC[C@@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599297727 LKZLZLDRKRBHHT-ZETCQYMHSA-N 308.316 -0.996 5 10 DBBE O=C1CCCN1CCCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 610335877 YKUJILXIDDQPTF-GFCCVEGCSA-N 311.342 -0.246 5 10 DBBE CS(=O)(=O)NC1CN(c2ccc(CO)cc2[N+](=O)[O-])C1 703016321 QJWJUWZUBUWNCU-UHFFFAOYSA-N 301.324 -0.175 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCn2cnccc2=O)n1 1142921009 HKDDSESIFVQSDQ-UHFFFAOYSA-N 306.282 -0.202 5 10 DBBE O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CCS(=O)(=O)CCO1 1159741591 SDVNZDILBWOIQX-UHFFFAOYSA-N 317.279 -0.502 5 10 DBBE CN(CC(=O)N1CCOCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] 1254104494 IBWOUNSQIGIHQD-UHFFFAOYSA-N 311.298 -0.741 5 10 DBBE CN(C)C[C@]1(O)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1455054626 HDRXBUUPCSVZDR-CQSZACIVSA-N 324.337 -0.719 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC(CO)(CO)C1 1471785414 ZMTMQSTWIUIKGL-UHFFFAOYSA-N 324.289 -0.207 5 10 DBBE CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1 1524916797 TTZJRIPLTXMVMS-RKDXNWHRSA-N 314.323 -0.064 5 10 DBBE CNC(=O)NCC(=O)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 1567796607 ZEZONCVZUPMVNF-UHFFFAOYSA-N 321.337 -0.176 5 10 DBBE CS(=O)(=O)C1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 1639183580 KQAPFLIQJKLZKY-UHFFFAOYSA-N 302.312 -0.563 5 10 DBBE CN(C)C[C@@]1(O)CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 1655611919 CTRIYVOMSBOTFF-AWEZNQCLSA-N 323.353 -0.018 5 10 DBBE Cc1c(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nnn1C 1738476493 UDHPDTNYUAQQFU-HWKXXFMVSA-N 322.325 -0.809 5 10 DBBE CCOC(=O)[C@@H](CC(N)=O)NC(=O)c1cc([N+](=O)[O-])ccc1N 1865986224 QESLSXBGUDBGMU-SNVBAGLBSA-N 324.293 -0.286 5 10 DBBE CN1[C@H](CNc2cc([N+](=O)[O-])cc(=N)[nH]2)CCS1(=O)=O 2145346576 NCEZPZLAKYZIQI-ZETCQYMHSA-N 301.328 -0.152 5 10 DBBE N=c1[nH]c(NCC2(S(N)(=O)=O)CCC2)ncc1[N+](=O)[O-] 2157648451 GRVHCZFGWHMLMQ-UHFFFAOYSA-N 302.316 -0.580 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1C[C@@H](O)C[C@H]1O 2164975058 AZTOQAKPUZODNE-NQMVMOMDSA-N 302.308 -0.243 5 10 DBBE N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 2168115187 LDGOPXQJYLGJKG-SCZZXKLOSA-N 301.324 -0.323 5 10 DBBE CN=c1nc(N=[S@](C)(=O)[C@@H]2CCNC2)c([N+](=O)[O-])c[nH]1 2173952870 ZFSHPTBEWIJBCB-JLPJYYFKSA-N 300.344 -0.060 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1O[C@H]1CS(=O)(=O)C[C@H]1N 2177959810 UAQLTYZLNXBOOE-SFYZADRCSA-N 304.328 -0.377 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCOC2)c1 131588648 NQRVUVILRQGXES-MRVPVSSYSA-N 302.312 -0.052 5 10 DBBE COC(=O)c1cc(C)nc(NC[C@@]2(O)CCN(C)C2)c1[N+](=O)[O-] 342832194 RIUXSVNGJZGGHG-AWEZNQCLSA-N 324.337 0.563 5 10 DBBE CN1C[C@@H]2[C@H](CCN2S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599312784 WVICXWYIFLQROO-RKDXNWHRSA-N 315.355 -0.347 5 10 DBBE CN(CCN1CCCS1(=O)=O)c1ncc([N+](=O)[O-])cn1 612785758 OXUSRAFAJVSUJE-UHFFFAOYSA-N 301.328 -0.144 5 10 DBBE CS(=O)(=O)c1cccc(N[C@H]2CNC[C@H]2O)c1[N+](=O)[O-] 699926047 SVRLXDPIKZHLRD-DTWKUNHWSA-N 301.324 -0.257 5 10 DBBE CO[C@@](C)(CO)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 702538004 STXJUYCDZZQNBJ-SNVBAGLBSA-N 305.312 -0.335 5 10 DBBE C[C@@]1(CO)CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 725373956 CAIXYYWADXWJHY-LBPRGKRZSA-N 315.351 -0.060 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCNC(=O)C1 805069175 OAXULSNBOXPIKF-UHFFFAOYSA-N 322.277 -0.587 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CN(C)C(C)C 1356050741 LEHHBUPLEPERJN-VXGBXAGGSA-N 314.386 -0.044 5 10 DBBE O=C1N[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]2CO1 1452855588 DCTBIFHQWIOPDG-WCBMZHEXSA-N 309.282 -0.252 5 10 DBBE COC(=O)N[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 1460749632 UJRWBCUVCSUVSI-GXSJLCMTSA-N 313.314 -0.418 5 10 DBBE Cc1cc(OCC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 1522627648 MRRWXOYZDZDBND-RKDXNWHRSA-N 312.282 -0.741 5 10 DBBE O=C(Cc1ccc[nH]1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1535254497 CRSJMVBKRUOZNL-GHMZBOCLSA-N 306.322 -0.013 5 10 DBBE O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1C[C@@H](O)[C@@H](CO)C1 1570213303 BAHZOVSYGQRYQW-PSASIEDQSA-N 310.262 -0.251 5 10 DBBE N[C@H]1COCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1615977146 HJMPVZBPULGHOM-DTWKUNHWSA-N 301.324 -0.011 5 10 DBBE CN(C(=O)CN1C[C@@H](O)[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 1618438612 MKMDGEWWNNKAHJ-ZWNOBZJWSA-N 309.322 -0.157 5 10 DBBE C[C@@H](O)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1 1626328780 RPGCSVRTXRQQRM-MWLCHTKSSA-N 311.294 -0.635 5 10 DBBE O=C1NCCO[C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)[C@@H]12 1648125134 XIPJFVKRYPISEW-CMPLNLGQSA-N 309.326 -0.229 5 10 DBBE Cc1c(C(=O)N[C@@H](CO)C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1866032941 FZBLLQVANJIESE-QMMMGPOBSA-N 313.222 -0.013 5 10 DBBE COc1ccc(NS(=O)(=O)N2CC(O)C2)cc1[N+](=O)[O-] 1914121600 AZQWLCOVMIWTSE-UHFFFAOYSA-N 303.296 -0.063 5 10 DBBE CS(=O)(=O)c1ccc(O[C@H](CN)C(N)=O)c([N+](=O)[O-])c1 2176306604 CBQSJXUEZZZACW-SECBINFHSA-N 303.296 -0.810 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(N[C@H]2CS(=O)(=O)C[C@@H]2O)[nH]1 2177959569 RGYLFQGTQHERLV-YUMQZZPRSA-N 302.312 -0.977 5 10 DBBE CN(CCN(C)S(C)(=O)=O)Cc1nn(C)cc1[N+](=O)[O-] 2196049150 DAWSYIUWHYOHTH-UHFFFAOYSA-N 305.360 -0.349 5 10 DBBE C[C@H](O)[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 50101836 IYECIBRFGQVQFZ-XVKPBYJWSA-N 318.307 -0.152 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CNC(=O)C1 229364178 VDBYRVKJZJQLPE-ZCFIWIBFSA-N 300.296 -0.656 5 10 DBBE COCCCOCCN(C)C(=O)Cn1cnc([N+](=O)[O-])n1 358905222 ZVFFPUDOMVISOK-UHFFFAOYSA-N 301.303 -0.302 5 10 DBBE NC[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(F)(F)F 594525814 WAKFIRYRXOAMGV-SSDOTTSWSA-N 310.236 -0.020 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCN1CCNC(=O)C1 1183040158 IJNBZTLUCSUSBR-UHFFFAOYSA-N 324.341 -0.962 5 10 DBBE CN(CCNC(=O)Cc1ncc[nH]1)Cc1c([N+](=O)[O-])ncn1C 1713471252 GLPRXPNKDVZDOI-UHFFFAOYSA-N 321.341 -0.158 5 10 DBBE O=C(O)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1O)C(O)O 1866176583 BUDHHYGALZAYAE-ZETCQYMHSA-N 314.250 -0.426 5 10 DBBE CCS(=O)(=O)CCN=c1nc(N(C)C)c([N+](=O)[O-])c[nH]1 2157676009 XIOKGGPKBTUMAP-UHFFFAOYSA-N 303.344 -0.281 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CC2(C1)OC[C@H](O)[C@H]2O 2183723270 YCTWFULATXHCPQ-IONNQARKSA-N 300.292 -0.397 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[P@](C)(=O)C[C@@H]1O 2186551458 MEFKBYPDXMPFTK-KXCWDCKNSA-N 302.227 -0.206 5 10 DBBE NNc1cc(NCC2(O)CS(=O)(=O)C2)ccc1[N+](=O)[O-] 2283081082 HABQTRDGYNJTDQ-UHFFFAOYSA-N 302.312 -0.548 5 10 DBBE Cn1cnnc1CNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50661889 ONVLXPQRZGLXDE-UHFFFAOYSA-N 312.311 -0.216 5 10 DBBE Nc1c(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cccc1[N+](=O)[O-] 373743053 GGJVXMOELDOTDK-MWLCHTKSSA-N 320.305 -0.094 5 10 DBBE Cc1[nH]nc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] 592878560 GKNQASNCFDUTKK-SECBINFHSA-N 324.341 -0.182 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(C)CCNCC2)n1 599109302 SMGZYGFYOOGEGO-UHFFFAOYSA-N 317.371 -0.004 5 10 DBBE C[C@@H]1C[C@@H](CO)CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599329755 QPSPANNKDDDXEK-RKDXNWHRSA-N 318.355 -0.033 5 10 DBBE N[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOC1 688512803 LUOWECAOZMAHNI-NSHDSACASA-N 301.324 -0.009 5 10 DBBE CN(CCCNC(=O)CC1(O)CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1283538101 QUZSYTZHVQXBST-GHMZBOCLSA-N 313.354 -0.079 5 10 DBBE CNS(=O)(=O)[C@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 1472694302 RAJAKJMSHTZILH-QMMMGPOBSA-N 303.344 -0.154 5 10 DBBE O=C(Cc1ccon1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1506049184 RLDDIIHDDONQSR-NXEZZACHSA-N 308.294 -0.353 5 10 DBBE CN1CCO[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1=O 1540836573 BNXXFOVYQCWCSP-LBPRGKRZSA-N 322.321 -0.020 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NN2CCS(=O)(=O)CC2)n1 1557549908 UFBSVGIQGNXXGX-UHFFFAOYSA-N 317.327 -0.814 5 10 DBBE O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCS(=O)(=O)C[C@H]1CCO 1635342308 TWPJCVRUUOUSMG-MRVPVSSYSA-N 317.323 -0.456 5 10 DBBE Cc1ccn(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1747783369 RMFGPWXSWBRIAA-GHMZBOCLSA-N 321.337 -0.378 5 10 DBBE CNC(=O)c1cnn(-c2ccnc(O)c2[N+](=O)[O-])c1C1CNC1 2070423401 MYKARRJYEOFKLM-UHFFFAOYSA-N 318.293 -0.073 5 10 DBBE CCS(=O)(=O)CCN(C)c1ncnc(NN)c1[N+](=O)[O-] 2170555651 DMBZWPFCSUJRQT-UHFFFAOYSA-N 304.332 -0.459 5 10 DBBE O=[N+]([O-])c1cc(Cl)cnc1N1CC2(C1)OC[C@H](O)[C@H]2O 2183727999 MNANXZJZEDXLTR-DTWKUNHWSA-N 301.686 -0.046 5 10 DBBE CC1(NS(=O)(=O)c2c(NN)cccc2[N+](=O)[O-])COC1 2189271934 DEVMTVCPGMUYFG-UHFFFAOYSA-N 302.312 -0.052 5 10 DBBE Nc1ccc([N+](=O)[O-])c(NC[C@@H]2NC[C@H](O)[C@@H]2O)c1Cl 2234019668 LOFNBNLTDOEGMN-GEOGLEFRSA-N 302.718 -0.064 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)s1 420484975 YQIVXQSAQDSIEW-ZETCQYMHSA-N 307.353 -0.077 5 10 DBBE O=C1NCCO[C@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]12 1152824115 WMYZJAXQISIAPW-CMPLNLGQSA-N 323.309 -0.703 5 10 DBBE COC(=O)/C=C\[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1159785222 RKXNMIOYBGYCMK-TYRPZCRBSA-N 309.278 -0.010 5 10 DBBE CN(CCNC(=O)c1cncn1C)Cc1c([N+](=O)[O-])ncn1C 1317451529 NXBMZWTYRXMYSA-UHFFFAOYSA-N 321.341 -0.076 5 10 DBBE CC(=O)N1CCC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 1436123727 LHWBPPDGJKIZNO-JTQLQIEISA-N 310.314 -0.439 5 10 DBBE COCCN(CCNC(=O)C(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1701896820 UHSWVZOTWMIQPF-HTQZYQBOSA-N 309.269 -0.492 5 10 DBBE Cc1ncc(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 1703364461 VBDREXKUJQYZBN-GHMZBOCLSA-N 310.310 -0.187 5 10 DBBE Cc1nccn1CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720273262 RSLRMVVROWVDLV-GHMZBOCLSA-N 309.326 -0.521 5 10 DBBE O=C(CCn1cccn1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1758664892 HQLHPNQTVDYPBR-DDHJBXDOSA-N 321.337 -0.298 5 10 DBBE NS(=O)(=O)NCCNCc1cc([N+](=O)[O-])c(F)cc1F 2157531186 ABWDFOHOTACARO-UHFFFAOYSA-N 310.282 -0.244 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1N[C@H]1O[C@@H]([C@@H](O)CO)[C@@H](O)[C@@H]1O 13425146 VCSKAKIULNIBRN-VLJOUNFMSA-N 314.294 -0.885 5 10 DBBE Cn1cnnc1CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 50421134 QAWNGQLNYFEPMC-UHFFFAOYSA-N 312.311 -0.216 5 10 DBBE CNc1sc(S(=O)(=O)N[C@H](C)C(N)=O)cc1[N+](=O)[O-] 157565924 QGGJEKXXCGETOX-SCSAIBSYSA-N 308.341 -0.150 5 10 DBBE O=C(NC1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1)C1CC1 189413710 CGAXDPRLFZGXEF-UHFFFAOYSA-N 307.310 -0.082 5 10 DBBE COc1ccc(NC(=O)C(=O)N2CC(=O)N(C)C2)cc1[N+](=O)[O-] 361172971 YQYPTJDCWJWFDS-UHFFFAOYSA-N 322.277 -0.200 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC1(CO)Cc2ccccc2C1 437983585 CHWSMWQBGUKTFC-UHFFFAOYSA-N 317.305 -0.168 5 10 DBBE O=C(NCCN1CCCS1(=O)=O)c1ccc([N+](=O)[O-])cn1 532393902 UQXIDNPTOJECBW-UHFFFAOYSA-N 314.323 -0.245 5 10 DBBE O=C1CNCCN1CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 579594375 MJBHTARNRNJHQH-UHFFFAOYSA-N 319.321 -0.694 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)NCC[C@]1(O)CCOC1 593382328 UEQPOAYKJLYOKR-LBPRGKRZSA-N 313.314 -0.368 5 10 DBBE C[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc(NN)ncc1[N+](=O)[O-] 712255761 UKFDYDZCCSICPG-PHDIDXHHSA-N 302.316 -0.485 5 10 DBBE CNc1ncc([N+](=O)[O-])c(NCC2(S(N)(=O)=O)CC2)n1 713949199 OPYNYJDJWAHAGW-UHFFFAOYSA-N 302.316 -0.341 5 10 DBBE CO[C@@H](C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C 861326955 RBWCCGYXGGDTAS-MRVPVSSYSA-N 320.327 -0.196 5 10 DBBE CO[C@H]1CN(C)[C@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 861342899 DXOXGYQZHWXEOG-SKDRFNHKSA-N 313.314 -0.161 5 10 DBBE CON(C)C(=O)[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 863586464 ATXDBDIWCLGCDL-WPRPVWTQSA-N 301.303 -0.850 5 10 DBBE O=C1CN(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)CCN1 1153494574 FKLFFRPQQOCWRR-UHFFFAOYSA-N 318.293 -0.159 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCNC(=O)CC2)n1 1330324023 NUEQACHUPLNAMS-ZETCQYMHSA-N 317.327 -0.725 5 10 DBBE Cn1cncc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1358661627 YFCPJTRPWHNOGT-RKDXNWHRSA-N 307.310 -0.536 5 10 DBBE O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H](O)[C@@H](CO)C1 1460219537 AHJPJRPHLZIIBN-NQBHXWOUSA-N 312.322 -0.381 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1535531247 QHMLPTHIVWTQEH-DTORHVGOSA-N 321.293 -0.827 5 10 DBBE COC(=O)c1nn(CCN2CCCS2(=O)=O)cc1[N+](=O)[O-] 1652174081 UXUYNCPZTKNZTH-UHFFFAOYSA-N 318.311 -0.387 5 10 DBBE CC(C)(C)NC(=O)CNC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1668821772 RMDLOVVALQBBSZ-XKFHPXPTSA-N 312.370 -0.172 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ccon1 1720480479 PYJPTGOQYYEYFM-GHMZBOCLSA-N 310.310 -0.153 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ccnn1C 1759001693 XXIQWPNEGSBWBA-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE COc1ccc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@@H]2N)n1 2177954067 TXYUUDFYSYAQNJ-POYBYMJQSA-N 303.296 -0.499 5 10 DBBE Nc1cccc(CN2CCS(=O)(=O)CCN2)c1[N+](=O)[O-] 2236883149 HIBIYGNSJMAJOT-UHFFFAOYSA-N 300.340 -0.088 5 10 DBBE CNc1ncnc(NCCCNS(C)(=O)=O)c1[N+](=O)[O-] 31526379 DMMYAPAIGAJQOT-UHFFFAOYSA-N 304.332 -0.222 5 10 DBBE C[C@H](CO)N(C)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 122572979 AXCIBXYVPFXWNE-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE CCNc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(N)=O 313633496 HIFKGZONMCRICB-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE CS(=O)(=O)CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594750499 JSXSZWVBWSVKCV-UHFFFAOYSA-N 323.352 -0.297 5 10 DBBE CO[C@](C)(CO)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594795719 OQGLXIIIGJTDJD-JTQLQIEISA-N 305.312 -0.335 5 10 DBBE COc1ccc(CC(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] 1141988928 HYUDVDCFZHXLLF-ZYHUDNBSSA-N 310.306 -0.043 5 10 DBBE CCn1cccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1=O 1256226046 CXNNRTQCYDAIDL-UHFFFAOYSA-N 306.282 -0.316 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccn(C)n1 1283538704 DVWZGQIBHNSFHG-MWLCHTKSSA-N 309.326 -0.336 5 10 DBBE O=C1NCC[C@@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]12 1303006964 AHIOQEWAOIHYKP-CABZTGNLSA-N 307.310 -0.082 5 10 DBBE O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCNC1=O 1350656743 RRUAWCFIIDSDDH-JTQLQIEISA-N 306.278 -0.784 5 10 DBBE CCn1cc(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1355592274 SHMGXSZEHRVPSU-VXGBXAGGSA-N 323.353 -0.315 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3c([N+](=O)[O-])cnn3C)C[C@@H]2C1=O 1454819006 MRWNUYSWJXEDCQ-KNVOCYPGSA-N 307.266 -0.985 5 10 DBBE COc1cc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)ccn1 1531344351 GMOAZQHLTGUPOS-UHFFFAOYSA-N 306.282 -0.051 5 10 DBBE COC(=O)[C@H]1CN(C(=O)Cn2c([N+](=O)[O-])cnc2C)CCO1 1615412912 GNPIGOGDVICUBC-SECBINFHSA-N 312.282 -0.500 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCO[C@@H]2CNC[C@H]21 1615977252 KPKPPWPRPVLCJT-GHMZBOCLSA-N 313.335 -0.044 5 10 DBBE O=C1CCCN1C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1629807436 JHUBLAMYVZHMPD-JTQLQIEISA-N 322.325 -0.343 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)C1CC1 1707375025 DNBRXDRUDXGCSN-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE C[C@H](O)[C@@H](NC(=O)c1cn2cc([N+](=O)[O-])ccc2n1)C(=O)O 1860400697 QIMORKWJUDCFKD-QUBYGPBYSA-N 308.250 -0.194 5 10 DBBE CS(=O)(=O)N1CC(Nc2nc(NN)ccc2[N+](=O)[O-])C1 2145430509 DLBHYUPATNTCTH-UHFFFAOYSA-N 302.316 -0.669 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 2152952126 GAUGBQBLIPPFAS-ZCFIWIBFSA-N 302.312 -0.416 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC(O)(CN)C1 2154726334 LLRBTJZJRAXQLK-UHFFFAOYSA-N 301.324 -0.403 5 10 DBBE Cc1[nH]ccc(=N[C@@H]2CNC[C@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2192656206 JWGIOONSYIPGAG-NXEZZACHSA-N 300.340 -0.483 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1OCCS(=O)(=O)CCN 2361001952 NXEURNOMSMSJMW-UHFFFAOYSA-N 306.344 -0.128 5 10 DBBE CS(=O)(=O)CCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 37751103 DWLIVPWCLCSPIC-UHFFFAOYSA-N 324.336 -0.377 5 10 DBBE CN1CCO[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 284384274 GGVWEEZRSNOJNO-VXGBXAGGSA-N 309.326 -0.277 5 10 DBBE C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1CCO 416301683 VNWHFLYAIQXYAM-QWRGUYRKSA-N 311.342 -0.295 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 599287918 KWNQNIWWSPTFAZ-MRVPVSSYSA-N 306.300 -0.678 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] 600243601 VILFJJMJBNVEPN-KOLCDFICSA-N 311.269 -0.277 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cn1)N(CCO)CCN1CCOCC1 611136857 WKSBRCLOARSCKK-UHFFFAOYSA-N 324.337 -0.244 5 10 DBBE Cn1ncc(CN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)n1 1267326204 RKEFTLQCPYXGJB-VXGBXAGGSA-N 308.342 -0.439 5 10 DBBE Cc1cc(=O)c(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1C 1292718291 MHXWCIBYUGAHQO-MWLCHTKSSA-N 322.321 -0.795 5 10 DBBE COC[C@@H](NC(=O)Cn1c([N+](=O)[O-])cnc1C)C(=O)OC 1295582280 IVARRPLTJANRPH-MRVPVSSYSA-N 300.271 -0.596 5 10 DBBE COC(=O)[C@H]1CN(C)C(=O)CN1CCn1cc([N+](=O)[O-])cn1 1460900762 LTHZIUMSSAMMRH-SNVBAGLBSA-N 311.298 -0.893 5 10 DBBE Cc1nn(C)c(C)c1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1736928520 RGIYLXCHSFQYBI-GHMZBOCLSA-N 323.353 -0.062 5 10 DBBE COCC(C)(C)C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1747965062 BCLMXNSWURCFIM-GHMZBOCLSA-N 313.354 -0.007 5 10 DBBE Cn1cc(C(=O)N2CC(Cn3cncn3)C2)cc([N+](=O)[O-])c1=O 1891196309 LZZQGZLNJRJFKF-UHFFFAOYSA-N 318.293 -0.343 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1N 2179201476 IITFXJYDVVMJTP-WPRPVWTQSA-N 301.324 -0.059 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1cc([N+](=O)[O-])cc(=N)[nH]1 2192664210 NSUXJDNKDGUGOB-YUMQZZPRSA-N 301.328 -0.801 5 10 DBBE O=C(O)[C@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 40699303 VYCPCXFYZBRRLN-QMMMGPOBSA-N 322.270 -0.152 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCCOCCO)ccc1O 52925265 GDQNCNLJWYZDFD-UHFFFAOYSA-N 306.296 -0.412 5 10 DBBE NNc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 54415498 ZVVZLHWEJIMXFB-QMMMGPOBSA-N 314.323 -0.203 5 10 DBBE NC(=O)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 157567977 YDLIYVPOLCKDAZ-UHFFFAOYSA-N 308.341 -0.218 5 10 DBBE C[C@H](Oc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-])C(N)=O 215873591 OYGPXEJDMKTFMO-BYPYZUCNSA-N 307.259 -0.366 5 10 DBBE C[C@](O)(CO)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 549089525 OTLOONZFCFFZBA-CYBMUJFWSA-N 312.278 -0.161 5 10 DBBE CC(C)N(C[C@H](O)CO)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594785753 TXNARPBYIYWARN-VIFPVBQESA-N 319.339 -0.258 5 10 DBBE COC(=O)[C@@]1(OC)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 600292642 ZLSWBICBOKUXFI-GFCCVEGCSA-N 312.282 -0.418 5 10 DBBE COC(=O)[C@H](CN)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 725373056 JPUMNFRANMUYKT-ZETCQYMHSA-N 303.296 -0.627 5 10 DBBE O=C1C[C@@]2(CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CN1 1322285535 CIZBSDANNLTDAO-YPMHNXCESA-N 309.326 -0.636 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC(CO)(CO)C1 1327870136 CXEZYYHLJRXQFY-UHFFFAOYSA-N 317.323 -0.645 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCCN1CCO 1450022032 PWUVWRAUZPQVMK-JTQLQIEISA-N 312.330 -0.851 5 10 DBBE CCCn1ncnc1CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1480355079 WAWVLWYEPFYHRE-VXGBXAGGSA-N 322.369 -0.003 5 10 DBBE O=C(CNCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)NC1CC1 1481897101 NXSCAUXTNZCORC-VXGBXAGGSA-N 324.381 -0.051 5 10 DBBE Cc1ccnc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1535230058 CFEKAKIDQNHDJK-NXEZZACHSA-N 319.321 -0.171 5 10 DBBE CCn1ccc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1580759958 LWOPFMVNAQGGLF-MWLCHTKSSA-N 309.326 -0.244 5 10 DBBE O=C(NCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 1586148424 KDNLQEYKEWUKCL-UHFFFAOYSA-N 322.321 -0.050 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)CN1CCCC1=O 1635998791 XKVBWUVMXPGRHJ-SNVBAGLBSA-N 322.321 -0.110 5 10 DBBE CCn1ccc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1722069166 UGROSISSXCONBV-MWLCHTKSSA-N 321.337 -0.053 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cncnc1 1731907745 XSNRXZXYFYZCOX-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE CCOCCOCCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2143842632 MFBQKXLYCCNILM-UHFFFAOYSA-N 308.316 -0.508 5 10 DBBE C[C@]1(O)CON(S(=O)(=O)c2ccc(N)cc2[N+](=O)[O-])C1 2149797927 XKZFGBNQXKUGEV-SNVBAGLBSA-N 303.296 -0.136 5 10 DBBE Cc1nc(NN)nc(N(C)C2CS(=O)(=O)C2)c1[N+](=O)[O-] 2152242801 AQTYJVSIIZRZEG-UHFFFAOYSA-N 302.316 -0.788 5 10 DBBE C[C@@H](N=c1[nH]c(NN)ncc1[N+](=O)[O-])[C@@H](C)S(C)(=O)=O 2170587517 CIHDJJLJSYJJMW-PHDIDXHHSA-N 304.332 -0.674 5 10 DBBE C[C@@H]1CN(S(=O)(=O)Nc2cc([N+](=O)[O-])ccn2)CCN1 2202450647 OFXHYIYCUQSBBC-MRVPVSSYSA-N 301.328 -0.060 5 10 DBBE CN(C)Nc1ncnc(N2CCN(CCO)CC2)c1[N+](=O)[O-] 40613415 JTJNCKHHEXIPSZ-UHFFFAOYSA-N 311.346 -0.612 5 10 DBBE N[C@H]1COCCN1S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 88378750 ATILDXLJZRTPHK-SNVBAGLBSA-N 303.296 -0.394 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 157563424 NVCGOLUSDWPTNY-UHFFFAOYSA-N 308.341 -0.347 5 10 DBBE O=C([C@@H]1C[C@H](O)CN1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 238099101 QTAKHIBETVIIKQ-KBPBESRZSA-N 320.349 -0.034 5 10 DBBE CCN(CCS(C)(=O)=O)c1ncc([N+](=O)[O-])cc1C(N)=O 269900384 YWBVIFAZHUXVHJ-UHFFFAOYSA-N 316.339 -0.040 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)c2cnn(C)n2)c1 284368897 XGDBSWADKWNDTO-UHFFFAOYSA-N 321.249 -0.446 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@](O)(C(N)=O)C1 284984857 KUVNXTZVPQOKNW-AWEZNQCLSA-N 322.321 -0.236 5 10 DBBE CC(=O)NCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593529320 NXMZCMNTGYKAPA-UHFFFAOYSA-N 302.312 -0.206 5 10 DBBE CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 598625157 MDPGKUHUSMJMHC-SECBINFHSA-N 314.323 -0.111 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(CCCF)CC1 600071969 KEQPDVZZAGSYMW-UHFFFAOYSA-N 300.294 -0.310 5 10 DBBE O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCN1CCNC(=O)C1 1138147795 WWMVQEXIEQFLBD-UHFFFAOYSA-N 324.312 -0.176 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCS(=O)(=O)C1 1141437156 JLAMRCHQXINJED-VIFPVBQESA-N 316.339 -0.268 5 10 DBBE CS(=O)(=O)CC1(COC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1319773481 YUOOFVPYTJCXFY-UHFFFAOYSA-N 318.311 -0.446 5 10 DBBE COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1338545718 AQQGOPQRBLGCSV-SCZZXKLOSA-N 312.282 -0.533 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](O)C3(CC3)C2)n1 1348137258 ZAHMDMWKUHQFCX-QMMMGPOBSA-N 302.312 -0.526 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cncn1C 1532969655 ODGISPGSPCZTJE-NXEZZACHSA-N 309.326 -0.384 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@]2(CO)COCCN2)n1 1642788510 WRXAAPYVXCQDKR-ZDUSSCGKSA-N 310.310 -0.621 5 10 DBBE O=C1COC[C@@]2(CNc3ccnc(O)c3[N+](=O)[O-])COCCN12 1655772970 KBECSRCTZORUJT-CYBMUJFWSA-N 324.293 -0.265 5 10 DBBE CCCC(=O)NCC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721078971 BODKCXXNJPDEFS-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE Cc1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1 1747191647 LTTHSDSRVZSQCX-JGLYPNHGSA-N 319.321 -0.148 5 10 DBBE CS(=O)(=O)c1cccc(N[C@H](CO)C(=O)O)c1[N+](=O)[O-] 2175195301 IPFJFHUOPGOJHX-SSDOTTSWSA-N 304.280 -0.144 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC(CO)CO 2179741555 CXOLFTNUZFKTKL-UHFFFAOYSA-N 308.287 -0.387 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCCN(C)S1(=O)=O 2195789611 RBQDQLHAJYDQAU-UHFFFAOYSA-N 303.344 -0.018 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCSCCO)cn1 2335665293 ADENAXPDXKMKAB-UHFFFAOYSA-N 307.353 -0.006 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 136167789 HMJOWELAHODGBA-LURJTMIESA-N 317.327 -0.577 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC1(O)CNC1 312231887 LCSGBCAJNSLEQH-UHFFFAOYSA-N 305.287 -0.654 5 10 DBBE COC(=O)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 600377673 ZUSFXUAVNRZQSK-SCZZXKLOSA-N 312.282 -0.420 5 10 DBBE NC(=O)C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 863483370 NUIXWDGUIUDBQT-DGCLKSJQSA-N 323.305 -0.269 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 1133345264 YRBZSHNVURMGQW-JLLWLGSASA-N 323.305 -0.323 5 10 DBBE COC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCCOC1 1133847128 FOLDQLSBTTYDLD-ZJUUUORDSA-N 313.314 -0.256 5 10 DBBE Cc1nn(CCNS(=O)(=O)c2cnn(C)c2)cc1[N+](=O)[O-] 1166286145 BQGRZWHIADUQBV-UHFFFAOYSA-N 314.327 -0.188 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1C[C@@H](O)CC(F)(F)C1 1320651896 DNAXPKBVMYHMLO-QMMMGPOBSA-N 317.248 -0.015 5 10 DBBE COC1CC(C(=O)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1335187185 JQPBWDJHAJTNCD-UHFFFAOYSA-N 318.311 -0.442 5 10 DBBE CN1CCC(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1583311530 URIMEUXDXZSBML-LLGAQUFESA-N 324.381 -0.218 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ncccc1O 1747181031 IKMWXASYDAKUSO-BSANDHCLSA-N 320.305 -0.145 5 10 DBBE C[S@@](=O)CCCCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 2166656116 CFYWWJWGOCPCMQ-PRWKNARSSA-N 304.372 -0.100 5 10 DBBE C[C@H]1[C@@H](C)N(c2ncnc(N)c2[N+](=O)[O-])CCS1(=O)=O 2170281852 CICOYAVDZNLKRD-RQJHMYQMSA-N 301.328 -0.021 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1cc([N+](=O)[O-])cc(=N)[nH]1 2192664204 NSUXJDNKDGUGOB-HTQZYQBOSA-N 301.328 -0.801 5 10 DBBE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])cs1 2233870360 IAIPFFBWNRVIPQ-KHQFGBGNSA-N 302.308 -0.151 5 10 DBBE N[C@H](CS(=O)(=O)NCc1ccccc1[N+](=O)[O-])C(=O)O 2286023329 ZFPVUIGQGGCMTO-MRVPVSSYSA-N 303.296 -0.574 5 10 DBBE Nc1cccc(S(=O)(=O)N2CCO[C@H](CO)C2)c1[N+](=O)[O-] 127046872 YKOOZNCJJSCXMH-QMMMGPOBSA-N 317.323 -0.441 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 158492339 GGLRQEKVJMXRIY-IBGZPJMESA-N 322.368 -0.463 5 10 DBBE NC(=O)[C@@]1(O)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 276485638 MKCACPZRYGQACE-CYBMUJFWSA-N 309.278 -0.578 5 10 DBBE NC(=O)C[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 441512916 RLPVPRBKGYUKRG-CMPLNLGQSA-N 311.342 -0.118 5 10 DBBE C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H](O)C[C@H]1C(N)=O 599541983 VDANVMBSXZRENX-LNLATYFQSA-N 322.321 -0.158 5 10 DBBE O=C(O)[C@@]1(c2ccnc(O)c2[N+](=O)[O-])CCS(=O)(=O)C1 695447222 AWSKIRYLNHKJJI-JTQLQIEISA-N 302.264 -0.164 5 10 DBBE Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)Nc1nn[nH]n1 709831126 OWSISCHGGAVRQG-UHFFFAOYSA-N 303.235 -0.370 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)c1ccsc1 766453010 ISOYOHZCOMJTBB-UHFFFAOYSA-N 317.308 -0.247 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]12COCCN1C(=O)OC2 1132714481 OCPQVXIDPJKLKU-CYBMUJFWSA-N 324.293 -0.116 5 10 DBBE COc1ccc(CN(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1317448448 UELIIWAUPBSOKT-GHMZBOCLSA-N 309.326 -0.302 5 10 DBBE CS(=O)(=O)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1441971511 SADOLWQPONAANU-JTQLQIEISA-N 302.308 -0.211 5 10 DBBE NC(=O)[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(N)=O 1460427984 FSNSTAPNMVONDW-RYUDHWBXSA-N 306.322 -0.344 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC2(CCNC(=O)O2)C1 1598432449 VDCAMCVCTQUVJJ-UHFFFAOYSA-N 309.282 -0.189 5 10 DBBE COC(=O)[C@]1(CNC(=O)c2nn(C)cc2[N+](=O)[O-])CCOC1 1623708976 CSGPTYDFVHDZAW-LBPRGKRZSA-N 312.282 -0.362 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCO[C@@]2(CCOC2)C1 1634630293 PGQBOFNIVDGLMC-AWEZNQCLSA-N 323.305 -0.226 5 10 DBBE COC(=O)[C@]1(O)CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 1650955584 WDSHDPMJYPSSGA-LBPRGKRZSA-N 312.282 -0.764 5 10 DBBE O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccn(C(F)F)n1 1703177949 JKNPEZGNKHQEDV-HTRCEHHLSA-N 317.252 -0.211 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1=COCCO1 1737133307 WRVFADNJISFPCY-NXEZZACHSA-N 313.310 -0.496 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])cn1)c1cnc2[nH]ncn2c1=O 1866225030 QTOJGUQFRATLQJ-UHFFFAOYSA-N 301.222 -0.027 5 10 DBBE Nc1cc(C(=O)N2CC(S(N)(=O)=O)C2)ccc1[N+](=O)[O-] 1914991057 HILRCMOACHQJFX-UHFFFAOYSA-N 300.296 -0.710 5 10 DBBE C[C@]1(O)CON(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1963009035 ZJNAAPGQFXSDCY-SNVBAGLBSA-N 304.280 -0.013 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 2157548777 VPTWSXOJACKMPM-UHFFFAOYSA-N 323.718 -0.834 5 10 DBBE CC(C)S(=O)(=O)C[C@](C)(C(=O)O)n1cnc([N+](=O)[O-])n1 2170494253 ALRBBIJARZOJJO-SECBINFHSA-N 306.300 -0.191 5 10 DBBE NNc1cc(NC[C@@H]2CCS(=O)(=O)N2)ccc1[N+](=O)[O-] 2234448933 ULJFTLUGSMSFAB-QMMMGPOBSA-N 301.328 -0.016 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(O)(CCO)C2)c1 2286189336 WBNGUQUYMDNGBJ-UHFFFAOYSA-N 302.308 -0.287 5 10 DBBE CO[C@H](CN)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2365425716 AQPDQORWQOMAQD-SSDOTTSWSA-N 307.303 -0.014 5 10 DBBE CC(C)(NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-])C(N)=O 50676818 JLMSDLWFJNIEBJ-UHFFFAOYSA-N 302.312 -0.281 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3C[C@]3(C(=O)O)C2)n1 600660393 ULPDCYFSFTXSFD-WKEGUHRASA-N 316.295 -0.577 5 10 DBBE CCOCCC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1284163810 QWIAAXAFIZZKFG-HMUNZLOLSA-N 311.338 -0.349 5 10 DBBE O=C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C2(CN1)COC2 1438860081 LQLGFHFQNDXIDE-UHFFFAOYSA-N 323.309 -0.701 5 10 DBBE COCCCN1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1570492019 NBBVJRZTXWYTPA-VXGBXAGGSA-N 315.370 -0.369 5 10 DBBE Cc1noc(CN2CCN3CCOC[C@]3(CO)C2)c1[N+](=O)[O-] 1620618300 BXVKFSFFEOPXJS-CYBMUJFWSA-N 312.326 -0.230 5 10 DBBE CCn1nnc(C)c1CNCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1691314853 JAYZDNPCPNTEHT-GHMZBOCLSA-N 310.358 -0.180 5 10 DBBE CCc1nc[nH]c1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704238602 AXTNCIYQIVNDGD-PSASIEDQSA-N 309.326 -0.175 5 10 DBBE Cc1nc[nH]c1CC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737185225 UTIUHEJCMVYULP-ZYHUDNBSSA-N 323.353 -0.109 5 10 DBBE CN(CCCNC(=O)c1ccncn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1743663621 OVNHPNNTQSCZNM-MWLCHTKSSA-N 307.310 -0.280 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCNC[C@@H]2F)cn1 2146551270 YYAMUHCSSMWDKK-IUCAKERBSA-N 304.303 -0.032 5 10 DBBE O=C1NOC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2148981859 PMNIAYHVMRMYIS-SECBINFHSA-N 301.280 -0.556 5 10 DBBE C[C@@H](CS(=O)(=O)N(C)C)N=c1ccc([N+](=O)[O-])c(N)[nH]1 2151098214 MJXFORPDOIVYKM-ZETCQYMHSA-N 303.344 -0.314 5 10 DBBE CN(C(=O)c1cc(=N)[nH]cc1[N+](=O)[O-])C1CS(=O)(=O)C1 2152241122 WXQXQWRFWOCROO-UHFFFAOYSA-N 300.296 -0.729 5 10 DBBE CN(c1ncc(C(=O)O)cc1[N+](=O)[O-])C1CS(=O)(=O)C1 2152245495 MNJZOISHUMGHKJ-UHFFFAOYSA-N 301.280 -0.079 5 10 DBBE Cc1nc(NN)nc(N2CC(S(C)(=O)=O)C2)c1[N+](=O)[O-] 2152290508 XADNNNBTWHGLHW-UHFFFAOYSA-N 302.316 -0.788 5 10 DBBE NNc1sc(S(=O)(=O)N2CC=C[C@H](O)C2)cc1[N+](=O)[O-] 2165135036 RGOKCNZNDYFJGO-LURJTMIESA-N 320.352 -0.137 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1NC[C@@H](O)[C@@H]1O 2201148845 JLIXTXLGPKIOHT-BBBLOLIVSA-N 301.686 -0.120 5 10 DBBE COCCS(=O)(=O)CCN=c1[nH]cnc(Cl)c1[N+](=O)[O-] 2204674094 LVLDLPYVHMEVQF-UHFFFAOYSA-N 324.746 -0.067 5 10 DBBE NNc1ccc([N+](=O)[O-])c(N[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 2206803307 VDZKBYVYIJZLLB-SCZZXKLOSA-N 302.312 -0.550 5 10 DBBE COCC[C@@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2233920150 DLUKQYKJIGSHGO-MRVPVSSYSA-N 304.328 -0.368 5 10 DBBE CS(=O)(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)O 2360577595 VUDKPMXIVYTYGH-ZETCQYMHSA-N 305.268 -0.850 5 10 DBBE Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(=O)n(C)c1=O 561985312 BYZQNAHCUSZNBY-UHFFFAOYSA-N 320.261 -0.050 5 10 DBBE O=C(N=c1cc[nH]cc1[N+](=O)[O-])N1CCN2C[C@H](O)C[C@H]2C1 594083320 YAGITHMYWCABGK-VHSXEESVSA-N 307.310 -0.306 5 10 DBBE COC(=O)CN(C(C)C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599215891 LKAGRKDGMMAWLH-UHFFFAOYSA-N 320.327 -0.100 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(OC(F)F)C2)n1 599287601 LLECEUGNJWDNME-UHFFFAOYSA-N 312.254 -0.060 5 10 DBBE CN(CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1 1501852731 UVHNGRCRKHTEGJ-LLGAQUFESA-N 324.381 -0.076 5 10 DBBE C[C@@H](O)[C@@H](O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 1642581887 PDSFVBSKIIYOJR-XCBNKYQSSA-N 312.278 -0.163 5 10 DBBE C[C@H]1CN(C(=O)Cn2ccc(N)c([N+](=O)[O-])c2=O)C[C@H](C)O1 1644077625 YSHDLACLBYMBDZ-IUCAKERBSA-N 310.310 -0.026 5 10 DBBE CN(CCNC(=O)Cc1nc[nH]n1)c1ccc([N+](=O)[O-])cn1 1690212564 BNLVDDAEPTZBAB-UHFFFAOYSA-N 305.298 -0.097 5 10 DBBE COCCCNCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1733828695 JQLRVPZRJMADHL-VXGBXAGGSA-N 315.370 -0.057 5 10 DBBE O=C(Cc1cnoc1)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1759094050 OAWCGUPLAFPACG-VXGBXAGGSA-N 322.321 -0.011 5 10 DBBE Cn1cc(C(=O)N2CC[C@H](n3nccn3)C2)cc([N+](=O)[O-])c1=O 1891158509 CUHOFPINZHTAIF-JTQLQIEISA-N 318.293 -0.028 5 10 DBBE C[C@@]1(O)CON(S(=O)(=O)c2ccc(N)cc2[N+](=O)[O-])C1 2149797926 XKZFGBNQXKUGEV-JTQLQIEISA-N 303.296 -0.136 5 10 DBBE CCc1nn(C)c(O[C@H]2CS(=O)(=O)C[C@@H]2N)c1[N+](=O)[O-] 2177960525 ZKGIVILVDICTJM-XPUUQOCRSA-N 304.328 -0.606 5 10 DBBE NNc1sc(S(=O)(=O)N2CC([N+](=O)[O-])C2)cc1[N+](=O)[O-] 2191529324 ITSJWCFFIDOPNB-UHFFFAOYSA-N 323.312 -0.409 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC[C@@H](F)C2)cn1 2234651990 RZJOQRVKZRVHRJ-YUMQZZPRSA-N 304.303 -0.032 5 10 DBBE CN1CCN(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 9855213 RYLQUQAZWRHHRV-UHFFFAOYSA-N 307.310 -0.188 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cn1 70302282 AFJRAOHJBVXKDH-UHFFFAOYSA-N 316.339 -0.712 5 10 DBBE C[C@H](O)[C@H](N)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 80738278 DSMIJQFZONTYCT-WCBMZHEXSA-N 303.340 -0.278 5 10 DBBE C[C@@](O)(CO)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 90287416 HEFNRIVUGXDOTN-JTQLQIEISA-N 306.296 -0.678 5 10 DBBE CNS(=O)(=O)CCNC(=O)c1cc(Cl)ncc1[N+](=O)[O-] 222182465 TWPAUZKAKUDDQK-UHFFFAOYSA-N 322.730 -0.078 5 10 DBBE NC(=O)CN1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 301915969 IZGGROCYVDKKMF-UHFFFAOYSA-N 319.325 -0.001 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N[C@@H]1COC[C@@H]1O 323523615 UWDPIKINDHLRGZ-APPZFPTMSA-N 306.271 -0.228 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCOC[C@H]1CNS(C)(=O)=O 599185568 SCIDPWXKJWYLIW-MRVPVSSYSA-N 319.343 -0.917 5 10 DBBE CNS(=O)(=O)CCCNC(=O)c1cccc(O)c1[N+](=O)[O-] 600666346 QHWMNCDGMLOPFX-UHFFFAOYSA-N 317.323 -0.031 5 10 DBBE O=C(O)c1nn(CCN2CCCS2(=O)=O)cc1[N+](=O)[O-] 695129338 ZYIVOHWUPCWWRQ-UHFFFAOYSA-N 304.284 -0.475 5 10 DBBE C[C@@H](O)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 717413960 GYQOZMKGZSXIQN-LHLIQPBNSA-N 308.287 -0.246 5 10 DBBE C[C@H](NC(=O)Cn1ncc([N+](=O)[O-])n1)C(=O)N1CCCCC1 863374297 PQQZPXVPOZNWGK-VIFPVBQESA-N 310.314 -0.297 5 10 DBBE O=C1CN(CCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCN1 1154006286 CFDNDLZKNFONAR-UHFFFAOYSA-N 316.705 -0.867 5 10 DBBE Cn1cc(CN[C@@H]2C(=O)NCC23CCOCC3)c([N+](=O)[O-])n1 1176506049 YXEHIGHMDZIXIQ-SNVBAGLBSA-N 309.326 -0.287 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnsn1 1284611875 KOINHRIYHAAXDX-VXNVDRBHSA-N 313.339 -0.218 5 10 DBBE CCN([C@@H]1CCNC1=O)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331349370 DNWWLAGHVSMUGW-SSDOTTSWSA-N 317.327 -0.773 5 10 DBBE COC(=O)[C@](C)(O)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 1447456942 SQQCINCCQBISND-GFCCVEGCSA-N 314.298 -0.433 5 10 DBBE COc1ccc(NC(=O)CN2CCNC(=O)C2)cc1[N+](=O)[O-] 1466328715 CMJVYOKLQWHTCI-UHFFFAOYSA-N 308.294 -0.026 5 10 DBBE NC(=O)[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C(N)=O 1473642412 KAKNTYIEOPLJMJ-OCAPTIKFSA-N 310.285 -0.248 5 10 DBBE CCn1cc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1568847875 AQLNHYMGQFUVFW-BLDJZWNYSA-N 308.342 -0.275 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCc2nnc(O)cc2C1 1625616583 VLDSHNQDEOCLDF-UHFFFAOYSA-N 304.266 -0.128 5 10 DBBE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nc(O)n[nH]1 1717206226 GPIYQLJGRUBIGG-RKDXNWHRSA-N 312.330 -0.544 5 10 DBBE Cc1ncc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 1720273288 SWHOWYQBXWKGBM-ZYHUDNBSSA-N 321.337 -0.005 5 10 DBBE COC(=O)CCS(=O)(=O)NCc1nn(C)cc1[N+](=O)[O-] 2240654768 VMCCIPHIEFWSEN-UHFFFAOYSA-N 306.300 -0.689 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Oc2cc(N)c([N+](=O)[O-])cn2)C1 2285605584 UGZPHBWHAOBZDP-SSDOTTSWSA-N 302.312 -0.015 5 10 DBBE CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN)C(N)=O 45110448 AXIPRYXXTLZZTC-UHFFFAOYSA-N 317.327 -0.577 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c([N+](=O)[O-])c1 323356750 AOYYCSLRHPEOQM-VXNVDRBHSA-N 303.296 -0.785 5 10 DBBE O=C(C1CC1)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 548391197 KMMPYEFIJAFTOO-LLVKDONJSA-N 308.294 -0.002 5 10 DBBE Cc1noc(CN2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)n1 548943844 ZMBHQTGFKIQGBJ-UHFFFAOYSA-N 321.297 -0.033 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(c2nc(F)ncc2[N+](=O)[O-])C1 703170587 HKMHLWZDLIUBHU-LURJTMIESA-N 305.291 -0.348 5 10 DBBE N[C@H]1COCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 725373913 AYHGQAVTQUYQDO-SECBINFHSA-N 301.324 -0.057 5 10 DBBE CN(CCNC(=O)Cc1nc[nH]n1)c1ncccc1[N+](=O)[O-] 1565598988 AUXXUTHJQJDFIW-UHFFFAOYSA-N 305.298 -0.097 5 10 DBBE O=C(NCCN(C(=O)Cc1ncc[nH]1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1581468100 CNYZISKAGDNKLL-GHMZBOCLSA-N 321.337 -0.275 5 10 DBBE Cc1ccc(CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1[N+](=O)[O-] 1654229703 SHIMOQICXLKGRL-GHMZBOCLSA-N 306.322 -0.078 5 10 DBBE O=C(NC1(CCO)CN(C(=O)CCCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1718216715 YSDXHAISZPYANF-NXEZZACHSA-N 317.317 -0.519 5 10 DBBE CN(CCCNC(=O)C1=CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758360183 DWEBVNITKVDJOV-VXGBXAGGSA-N 311.338 -0.037 5 10 DBBE CN(C)c1nc(=NCCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521811 VTENFACLKMZOFD-UHFFFAOYSA-N 319.325 -0.163 5 10 DBBE NS(=O)(=O)c1cn(C[C@]23CCOC[C@H]2C3)nc1[N+](=O)[O-] 2194491757 FPCUQMDRNSRKAJ-GMSGAONNSA-N 302.312 -0.135 5 10 DBBE Nc1cc(NC[C@@H]2NC[C@@H](O)[C@H]2O)c(Cl)cc1[N+](=O)[O-] 2234248027 FTMJOKITJZMOLV-GDPRMGEGSA-N 302.718 -0.064 5 10 DBBE N[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)O 323287453 KRVZGLHCKFZXDV-LURJTMIESA-N 307.259 -0.576 5 10 DBBE COCC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 339024177 XCUXTYXXZAXDJI-UHFFFAOYSA-N 323.309 -0.616 5 10 DBBE O=C1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]2CCCC[C@H]2N1 344199316 JCXOUYXYVUPYFP-BDAKNGLRSA-N 308.298 -0.544 5 10 DBBE CN(C)S(=O)(=O)CCNc1ccc2ncc([N+](=O)[O-])n2n1 357827400 MXDRSCFBCRBYJA-UHFFFAOYSA-N 314.327 -0.059 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 595661083 DEZHVXYOOXKQRC-OUAUKWLOSA-N 314.298 -0.928 5 10 DBBE C[C@@H]1CCNC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599107163 KXJYPMXTDTZHOZ-HTQZYQBOSA-N 303.344 -0.395 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CCCN3)C2)n1 858614644 PAGGWEIPQYOYCX-NSHDSACASA-N 315.355 -0.155 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@](O)(CN(C)C)C1 1302819946 YLEQBOCQAVWYFW-ZDUSSCGKSA-N 311.342 -0.375 5 10 DBBE C[C@@H](CCS(C)(=O)=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1319896255 PHTMXTXTLKKRRL-ZETCQYMHSA-N 304.328 -0.119 5 10 DBBE COC1(OC)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1O 1452125537 YPCBKSFVKLWVKS-SECBINFHSA-N 314.298 -0.626 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC(=O)N(C2CC2)C1 1587751690 DZXKFCKOJFUWMW-VIFPVBQESA-N 307.310 -0.021 5 10 DBBE COC(=O)[C@](C)(O)CNC(=O)Cn1c([N+](=O)[O-])cnc1C 1638173374 WFSITWWHOKBXJW-LLVKDONJSA-N 300.271 -0.860 5 10 DBBE O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC(NC2COC2)C1 1639675318 LRYSCFSIISTWEK-ZDUSSCGKSA-N 307.306 -0.173 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)c1N 1704275174 BWOFRPJWVXEPPB-PSASIEDQSA-N 324.341 -0.754 5 10 DBBE O=C(NCCN(C(=O)c1nc[nH]n1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1721230935 TVWHBGUSGAZMKG-RKDXNWHRSA-N 308.298 -0.809 5 10 DBBE O=C(O)CNC(=S)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1858599105 HGLAMZVELKSQTP-UHFFFAOYSA-N 319.320 -0.168 5 10 DBBE NCCN(CCO)S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2152161144 GZCMVXALAHVELC-UHFFFAOYSA-N 307.303 -0.324 5 10 DBBE NS(=O)(=O)c1cn(CCCN2CCCC2)nc1[N+](=O)[O-] 2156814313 GXCYJHDWDGUYKH-UHFFFAOYSA-N 303.344 -0.075 5 10 DBBE Cc1nc(Cl)nc(O[C@@H]2CS(=O)(=O)C[C@H]2N)c1[N+](=O)[O-] 2184645908 HRIIJWLLSDTSAE-PHDIDXHHSA-N 322.730 -0.150 5 10 DBBE CNc1nc[nH]c(=NCCS(=O)(=O)C(F)F)c1[N+](=O)[O-] 2232494309 BHJGHEQCNXXNCA-UHFFFAOYSA-N 311.270 -0.102 5 10 DBBE NNc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 51088930 IBSZZJBXYPEBQL-QMMMGPOBSA-N 314.323 -0.203 5 10 DBBE CS(=O)(=O)N1CCN(c2nc(NN)ccc2[N+](=O)[O-])CC1 160142550 XJUVSNIOGWYGBD-UHFFFAOYSA-N 316.343 -0.643 5 10 DBBE NC(=O)CCOc1c(F)cc([N+](=O)[O-])cc1S(N)(=O)=O 162115089 XTFRXUJDGLPGAM-UHFFFAOYSA-N 307.259 -0.365 5 10 DBBE CC(=O)N[C@H](CSC(=O)C(C)(C)CC[N+](=O)[O-])C(N)=O 212050179 PCNBTXIBPMNRDF-MRVPVSSYSA-N 305.356 -0.071 5 10 DBBE CCNC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 268663164 YGCOGNVXWIUJNS-UHFFFAOYSA-N 322.325 -0.060 5 10 DBBE C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1NN)[S@@](C)=O 312199177 BSLTUQUQEXMGIJ-PXKKQCTMSA-N 301.328 -0.228 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(C2CC2)C(=O)C1 337004301 YDAWHXKRZPOVGE-UHFFFAOYSA-N 305.294 -0.100 5 10 DBBE O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)N1 593597679 ZGWMECGESJYXRN-ZETCQYMHSA-N 301.280 -0.069 5 10 DBBE Cc1n[nH]cc1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599221171 LQBNAXPKGCBZLF-UHFFFAOYSA-N 300.300 -0.162 5 10 DBBE O=C(O)[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 725372887 BEFZTAOWVRUDBK-YUMQZZPRSA-N 315.307 -0.454 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CNC(N)=O)n1 1626653591 ZERSLTFNMCMBHK-QMMMGPOBSA-N 310.314 -0.009 5 10 DBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 1653270131 XMOWXHUJXVIOKV-MRVPVSSYSA-N 310.266 -0.621 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC(OCCO)C2)c1 1965789201 WOTZEPLYILHWQD-UHFFFAOYSA-N 302.308 -0.023 5 10 DBBE NC[C@H]1COC[C@@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2154120868 WDXAMZSWSFEEKR-XVKPBYJWSA-N 302.312 -0.758 5 10 DBBE CC1(C)CN(c2ncnc(N)c2[N+](=O)[O-])CCS1(=O)=O 2170260276 JYJDAYFWEGITAU-UHFFFAOYSA-N 301.328 -0.020 5 10 DBBE COc1ccc([N+](=O)[O-])c(N[C@@H]2CS(=O)(=O)C[C@H]2O)n1 2177807345 APQRLHQQKWZZTF-HTRCEHHLSA-N 303.296 -0.432 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C[C@@H]1N 2179202173 MPQQOWKTIDNEKX-VHSXEESVSA-N 302.312 -0.664 5 10 DBBE C[C@H]1[C@@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 2182524126 RPQHUZICNFFZNY-RCOVLWMOSA-N 302.312 -0.366 5 10 DBBE O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1NC[C@H](O)[C@@H]1O 2201149266 MDQQJMLWNFZFET-AEJSXWLSSA-N 301.686 -0.120 5 10 DBBE Cc1ncc([N+](=O)[O-])c(=NCC2(S(N)(=O)=O)CCC2)[nH]1 2286622128 HMOFGMDJWDSVHX-UHFFFAOYSA-N 301.328 -0.262 5 10 DBBE O=c1oc2ccc([N+](=O)[O-])cc2n1[C@@H]1CS(=O)(=O)C[C@H]1O 37694407 GUJLWNAWGKKHCN-RKDXNWHRSA-N 314.275 -0.167 5 10 DBBE Cn1cc(S(N)(=O)=O)c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 40382042 FHDUYKGCMKGWPL-UHFFFAOYSA-N 314.283 -0.444 5 10 DBBE CCCNc1ncnc(NCCS(N)(=O)=O)c1[N+](=O)[O-] 129215668 FJTCKSWLDIDPAA-UHFFFAOYSA-N 304.332 -0.093 5 10 DBBE CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 131288198 QIGSTDJSVNGKID-UHFFFAOYSA-N 303.344 -0.280 5 10 DBBE NNc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] 161521942 IJTKMSMIQSBUPF-SSDOTTSWSA-N 314.323 -0.203 5 10 DBBE N[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 323310866 QALSCGYOGVKVIM-QMMMGPOBSA-N 303.296 -0.574 5 10 DBBE CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(CC(N)=O)C(=O)C1 413427436 ZQBFCPWGQLOETL-UHFFFAOYSA-N 320.305 -0.069 5 10 DBBE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](O)C[C@H]1C(N)=O 599541395 IQNAFWMEFDZMIQ-AXTRIDKLSA-N 322.321 -0.158 5 10 DBBE Nc1cc(N2CCN3C(=O)NC[C@@H]3C2)cc(CO)c1[N+](=O)[O-] 612401426 SXGCMOZGNKEJTJ-SNVBAGLBSA-N 307.310 -0.117 5 10 DBBE CS(=O)(=O)[C@H]1C[C@H](Nc2nc(NN)ncc2[N+](=O)[O-])C1 714251978 QGUPVIIZQMDAOM-IZLXSQMJSA-N 302.316 -0.342 5 10 DBBE CNS(=O)(=O)c1ccc(O[C@@H]2CNOC2)c([N+](=O)[O-])c1 722486306 LVAKODHRHJOBOA-SSDOTTSWSA-N 303.296 -0.215 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCN2C(=O)NC[C@H]2C1 1148787141 HUVDTJXFDNDUKF-YFKPBYRVSA-N 314.689 -0.179 5 10 DBBE CCn1nc(C)c(CN(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1317447827 IEWPKBQCTORMNY-ZYHUDNBSSA-N 310.358 -0.180 5 10 DBBE COC(=O)C(=O)[C@H](C)OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1320473602 WOWCDIJZZJLYGG-ZETCQYMHSA-N 312.234 -0.570 5 10 DBBE CNC(=O)NC[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 1455076364 DVDQQYWJTDCZBN-VIFPVBQESA-N 311.298 -0.307 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 1455085053 OOFPAVYGGGFKGR-UHFFFAOYSA-N 324.245 -0.317 5 10 DBBE O=C(NCCN1CCN(Cc2ccon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1490492837 SDEDLGGFDTZSDK-CHWSQXEVSA-N 323.353 -0.426 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ncnn1CC 1492950094 ILBHMDDTIRFUEW-GHMZBOCLSA-N 310.358 -0.099 5 10 DBBE CCn1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1533427550 PXURMNFPTZQKPK-OPVGQWETSA-N 321.337 -0.030 5 10 DBBE COC(=O)[C@]1(NC(=O)Cn2c([N+](=O)[O-])cnc2C)C[C@@H](O)C1 1558084702 KOLXDURLZDNYKX-LYWQIFSTSA-N 312.282 -0.718 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ncnn1C 1566550204 DJYKGSKYLYBJME-GHMZBOCLSA-N 310.358 -0.192 5 10 DBBE CC(C)(O)[C@@H](O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1625404256 SXASMFNJIUNVGJ-LBPRGKRZSA-N 324.337 -0.230 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CC2(C[C@@H](O)CNC2=O)C1 1634491294 BRPSKHUGQYOWJY-MRVPVSSYSA-N 311.319 -0.021 5 10 DBBE Cc1nc(NN)nc(N2CC[S@@](=O)[C@H](C)C2)c1[N+](=O)[O-] 2171983206 XXPQRPUUAHYYAD-PXKKQCTMSA-N 300.344 -0.064 5 10 DBBE Cc1cc(S(=O)(=O)N[C@@H](CN)CO)cc([N+](=O)[O-])c1F 2182586452 SWXFTOGKINBLDT-ZETCQYMHSA-N 307.303 -0.360 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CC2(C1)OC[C@@H](O)[C@H]2O 2183726023 WNHZBUFNGVNGJC-HZGVNTEJSA-N 300.292 -0.397 5 10 DBBE CO[C@@H]1C[C@@H]1NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 2188224167 VHCPCQYQJYGDLN-JGVFFNPUSA-N 302.312 -0.054 5 10 DBBE NNc1cc(S(=O)(=O)N=c2nc[nH]s2)ccc1[N+](=O)[O-] 2240953887 PNTLLEQWNJONSX-UHFFFAOYSA-N 316.324 -0.045 5 10 DBBE O=C(NCC1(O)CS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 2283074823 ZRRFNQLUHQYFAR-UHFFFAOYSA-N 300.292 -0.516 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(NCC2(O)CS(=O)(=O)C2)[nH]1 2283093882 FHACHTPHBSZFIS-UHFFFAOYSA-N 302.312 -0.975 5 10 DBBE CCCc1ncc([N+](=O)[O-])c(=N[C@H](C)CS(N)(=O)=O)[nH]1 2286660884 DHIGUIRCQFUFKU-SSDOTTSWSA-N 303.344 -0.152 5 10 DBBE O=[N+]([O-])c1c(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)ccnc1Cl 2289398032 HXCGVXFJDPTEDD-KDILMLJESA-N 303.702 -0.207 5 10 DBBE O=C1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CN1 70302393 MKKPEOKTFRSUAW-SSDOTTSWSA-N 300.296 -0.453 5 10 DBBE COC[C@@H](O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 71270319 SNNIHKYBEIUDAV-ZETCQYMHSA-N 306.296 -0.414 5 10 DBBE CCNC(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 131218994 NXUHCCBWDRGEIS-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 136168134 ZOPCCILUDGROQQ-SCSAIBSYSA-N 323.356 -0.516 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[C@H](CN)C2)n1 599109086 RPZRYNRZMUZCRZ-YUMQZZPRSA-N 303.344 -0.266 5 10 DBBE NCC1(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])COC1 705699090 MONDJWYJLXVSDK-UHFFFAOYSA-N 302.312 -0.618 5 10 DBBE CCOC(=O)[C@@H](COC)OC(=O)Cn1cc([N+](=O)[O-])cn1 766317996 JUBRBPCPLAKKTE-SECBINFHSA-N 301.255 -0.087 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 858696978 MTVIOOHMJXDDKI-PELKAZGASA-N 320.305 -0.096 5 10 DBBE Cc1ccn(CC(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1298397280 OIGXLAOXBUYMLP-JDEDCZITSA-N 321.337 -0.355 5 10 DBBE C[C@@H](COC(=O)Cn1cnc([N+](=O)[O-])n1)CS(C)(=O)=O 1319255606 XSIMAGJLWYKASU-ZETCQYMHSA-N 306.300 -0.590 5 10 DBBE CN1CCC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1343180065 BJCRUVTZUGCONN-JTQLQIEISA-N 324.341 -0.882 5 10 DBBE CN(CCCNC(=O)CC(C)(C)O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1351432071 KWLRTYVABYWDQE-NXEZZACHSA-N 301.343 -0.223 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCN(C(N)=O)CC1 1442860793 DGVLSWNTDDXZLM-UHFFFAOYSA-N 310.314 -0.287 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cn[nH]c1 1582947269 OJPGLSGKPSHXGN-VXGBXAGGSA-N 323.353 -0.076 5 10 DBBE CS(=O)(=O)C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1624860517 QQXDUASWOFEOCJ-SSDOTTSWSA-N 302.312 -0.175 5 10 DBBE COC(=O)C1(O)CN(C(=O)COc2ccccc2[N+](=O)[O-])C1 1636380543 ITLGTQYKGJHXLA-UHFFFAOYSA-N 310.262 -0.280 5 10 DBBE O=C1NCC2(CN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)O1 1638460585 OURQXUFVVNFIKD-UHFFFAOYSA-N 301.646 -0.094 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Cc3nn[nH]n3)C2)n1 1651874513 NGLPBHNTHQIIBS-MRVPVSSYSA-N 320.313 -0.064 5 10 DBBE Nc1sc(S(=O)(=O)NCCc2cnn[nH]2)cc1[N+](=O)[O-] 2145968936 OKDOYWWSZRGRDZ-UHFFFAOYSA-N 318.340 -0.122 5 10 DBBE C[C@@](N)(CO)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2181130364 UTPRVPWXZSTIMG-JTQLQIEISA-N 305.312 -0.712 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@H](O)C2)cn1 2188682431 PUEWGKGAUBYKHP-RKDXNWHRSA-N 303.296 -0.894 5 10 DBBE C[C@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 131318135 LGFNFKBZEGNEAS-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(CCCO)CC1 263723836 BPQHASQCNGOFSZ-UHFFFAOYSA-N 309.326 -0.407 5 10 DBBE CC1(C)CN(c2ncc([N+](=O)[O-])c(N)n2)CCS1(=O)=O 268267739 SXPAMEUDUPGYHZ-UHFFFAOYSA-N 301.328 -0.020 5 10 DBBE CN(CCS(C)(=O)=O)C(=O)c1cc([N+](=O)[O-])ncc1N 312332601 OGYRBKIMLMQEDL-UHFFFAOYSA-N 302.312 -0.311 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCO[C@@]2(CCOC2)C1 347177930 RTYLILCICJDWLT-AWEZNQCLSA-N 323.305 -0.226 5 10 DBBE NS(=O)(=O)CCS(=O)(=O)c1ncc(F)cc1[N+](=O)[O-] 401165857 RPXUAQKSKJESHI-UHFFFAOYSA-N 313.288 -0.809 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN2CCCC2)n1 1160334108 KPHCHOQGGPDIPJ-SNVBAGLBSA-N 311.342 -0.002 5 10 DBBE CNC(=O)NC[C@H]1COCCN1CCn1cc([N+](=O)[O-])cn1 1560091610 NHXMANQLMAPKLA-NSHDSACASA-N 312.330 -0.579 5 10 DBBE Nc1nccc(C(=O)N2CC(N3CCOCC3)C2)c1[N+](=O)[O-] 1583259479 ZRJLICBRXMJOQR-UHFFFAOYSA-N 307.310 -0.271 5 10 DBBE CN(CCNC(=O)c1cncnc1)Cc1c([N+](=O)[O-])ncn1C 1690936689 LNFKATYJZZTKDO-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE CCNC(=O)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1725139584 IGUQAIDLCSYKNE-GHMZBOCLSA-N 314.386 -0.138 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN1CC=C(CNC(=O)C(N)=O)CC1 1734631606 UDZADJVNBUUZCW-UHFFFAOYSA-N 322.325 -0.938 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 2165862540 ZSUWTZTVNMSKQH-CBAPKCEASA-N 302.312 -0.204 5 10 DBBE O=C(O)[C@@H](Nc1ccc([N+](=O)[O-])cn1)C1CS(=O)(=O)C1 2197525221 MZNNLPQRAMOTBA-VIFPVBQESA-N 301.280 -0.101 5 10 DBBE Cc1nc(Cl)nc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c1[N+](=O)[O-] 2201038971 SZAYARXGJFWTGM-CHKWXVPMSA-N 304.690 -0.751 5 10 DBBE Cc1nn(C)c(N[C@H]2COC[C@@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2207480388 AEPQLNIXAPKAPP-YUMQZZPRSA-N 304.328 -0.139 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@@H]2CCN(S(C)(=O)=O)C2)[nH]1 2238914898 ZVYOHBQHULIEFR-MRVPVSSYSA-N 303.344 -0.321 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@@H]2CCNC2)n1 2240624006 QEYGNPDVTSXGSG-MRVPVSSYSA-N 303.344 -0.643 5 10 DBBE C[C@@H](NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-])c1nn[nH]n1 50672574 QYPAVICLESCJSM-RXMQYKEDSA-N 313.299 -0.270 5 10 DBBE O=C(O)[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCOC1 85855153 MFIXKWNVFQMEAT-JTQLQIEISA-N 317.279 -0.488 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(=O)NC(=O)C1 97270093 DAGYVGXIQDQTMZ-UHFFFAOYSA-N 313.291 -0.450 5 10 DBBE CC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 157466979 DLZQJQFOGYSWDF-UHFFFAOYSA-N 323.356 -0.644 5 10 DBBE COCCN1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1=O 372711765 GRBZCTQOBGSVPV-UHFFFAOYSA-N 310.314 -0.348 5 10 DBBE CC(C)(C)OC(=O)N[C@@H](CNC(=O)/C=C\C(=O)NO)C(=O)O 380887495 RRSJJMNUQRMVEP-MJSGSUOKSA-N 317.298 -0.858 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@@H](CN)C2)n1 599109081 RPZRYNRZMUZCRZ-HTQZYQBOSA-N 303.344 -0.266 5 10 DBBE Cn1cnc(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 599324548 SROQGMCKDLBNBM-UHFFFAOYSA-N 314.327 -0.417 5 10 DBBE C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H](O)C[C@H]1C(N)=O 599541984 VDANVMBSXZRENX-SBMIAAHKSA-N 322.321 -0.158 5 10 DBBE CN(C)C[C@@]1(O)CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 619255423 YFXOJRPNSCFOTH-ZDUSSCGKSA-N 311.342 -0.294 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1133948170 QEUHREGLSQWMMB-APPZFPTMSA-N 316.339 -0.351 5 10 DBBE CC(C)C(=O)NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1294678593 LHTXLAPHNHJBRA-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE CN1C(=O)C[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1=O 1296988724 YAKGYXCLLFOIEN-VKHMYHEASA-N 301.646 -0.542 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](S(N)(=O)=O)C2)n1 1306738126 CMHPRFWFFLZROO-VIFPVBQESA-N 314.323 -0.199 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN2C(=O)CC[C@@H]2C1 1446210210 OFWLWMHXQHNMCX-SNVBAGLBSA-N 320.305 -0.410 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1C[C@@H](O)[C@@H](CO)C1 1451193352 WNHZABSPMUWPOC-GMSGAONNSA-N 310.262 -0.251 5 10 DBBE C[S@@](=N)(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 1637506962 NYQZJCZXTSEAII-NRFANRHFSA-N 316.343 -0.473 5 10 DBBE CN(CCNC(=O)Cn1ncnn1)c1ccccc1[N+](=O)[O-] 1690131903 ZCPKRMXHLMKJCL-UHFFFAOYSA-N 305.298 -0.166 5 10 DBBE NC1CN(S(=O)(=O)Nc2cc(Cl)ncc2[N+](=O)[O-])C1 2109593123 XHJRKLHVTHAPKK-UHFFFAOYSA-N 307.719 -0.057 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N=[S@@](C)(=O)[C@H]2CCNC2)n1 2186532805 RWUIQTKASPXZSU-JKNYTWMOSA-N 301.328 -0.072 5 10 DBBE COC1(OC)CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2195199495 DJTCWZNNVDYNQV-UHFFFAOYSA-N 303.296 -0.017 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2C(=O)[C@@H]3CC[C@@H]3S2(=O)=O)n1 2283221796 UASQUDZPXFPVRD-MUWHJKNJSA-N 300.296 -0.221 5 10 DBBE NS(=O)(=O)c1ccc(N(CCO)CCO)c([N+](=O)[O-])c1 8418139 CHNHSOPSMZSGDK-UHFFFAOYSA-N 305.312 -0.967 5 10 DBBE C[C@H](CO)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 122575359 DRZGRQQCQBPKAQ-RXMQYKEDSA-N 310.357 -0.057 5 10 DBBE Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2O)c(=O)n(C)c1=O 569889522 UOOLIAIUULPLAB-UHFFFAOYSA-N 320.261 -0.050 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCOCCO)n1 599270874 GLGKJYIZYOMISF-UHFFFAOYSA-N 308.316 -0.994 5 10 DBBE COC(=O)[C@](C)(NC(=O)[C@@H]1CC(=O)N1)c1cccc([N+](=O)[O-])c1 600523125 MPPZEDNDSOENQM-IINYFYTJSA-N 321.289 -0.012 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1ccc(F)cc1[N+](=O)[O-])C(=O)O 691713768 IZCOELNKBIUJKH-LURJTMIESA-N 307.259 -0.113 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Br)c1=N[C@H]1CNC[C@@H]1O 699970039 ZOXDDLCLGLWCPO-XPUUQOCRSA-N 303.116 -0.081 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](O)c1cnn(C)c1 1149981787 FLQXSYORZYSVQF-JTQLQIEISA-N 308.298 -0.317 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cn1)N1CCN2CCOC[C@@]2(CO)C1 1156866617 KPLVMDANCYUXOA-AWEZNQCLSA-N 322.321 -0.491 5 10 DBBE CC(=O)N1CCC(COC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1318587857 LSAFJRVJUYXIHJ-UHFFFAOYSA-N 311.298 -0.012 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)COB2O 1465880871 ROHFWXXIQBALGB-UHFFFAOYSA-N 316.082 -0.561 5 10 DBBE CN(CCNC(=O)c1nnn(C)n1)Cc1cccc([N+](=O)[O-])c1 1567298731 VHDMWMHPMAYPQO-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCN(CCCO)C1 1624411077 SNGHXERZVSCWHU-LLVKDONJSA-N 311.342 -0.246 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 1635514909 ZOCIXIMZLXXJMD-KRNBLGIKSA-N 313.339 -0.302 5 10 DBBE C[C@@H]1CCS(=O)(=O)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 1638527070 IXDHWFOBWUVRHZ-MRVPVSSYSA-N 317.327 -0.778 5 10 DBBE O=C(Cc1cnc[nH]1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1721418557 ASUYJRKYYMGODI-GHMZBOCLSA-N 307.310 -0.808 5 10 DBBE Cc1ncoc1CN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1734070389 GPAFHRNOANTSCZ-GHMZBOCLSA-N 324.337 -0.299 5 10 DBBE O=C(O)C1(n2ccnc2[N+](=O)[O-])CC2(C1)CS(=O)(=O)C2 2152032378 DQMGVRQGVSZQAQ-UHFFFAOYSA-N 301.280 -0.220 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](O)[C@H](O)C2)cc1 2188679240 JKXHFRHDCDUSRW-WDEREUQCSA-N 302.308 -0.289 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]1CN1CCOCC1 362055459 IRSXGEYLEZAIMO-LLVKDONJSA-N 324.341 -0.491 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)NCCF 593591459 JATFVHPVYKWVLE-ZETCQYMHSA-N 320.302 -0.258 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](O)C(F)(F)C2)c1 595660264 CNRDVSLBVSIMLQ-VHSXEESVSA-N 306.269 -0.146 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 596437953 YOIKEARGJMFXDB-IYSWYEEDSA-N 303.300 -0.809 5 10 DBBE CCOC(=O)c1cc(C(=O)N2CC(O)(CO)C2)cc([N+](=O)[O-])c1 597706229 RSNVMGABSJYOQS-UHFFFAOYSA-N 324.289 -0.049 5 10 DBBE O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCNCCNCC2)c1 923460357 MQSPJWDLGRQAGF-CQSZACIVSA-N 324.381 -0.171 5 10 DBBE O=C1OC[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@H]12 1150544129 UOLPOVILZXUFLO-IUCAKERBSA-N 307.262 -0.612 5 10 DBBE COC(=O)[C@@]1(OC)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 1261792144 NLJNLTBPFLYQAZ-CYBMUJFWSA-N 324.293 -0.143 5 10 DBBE COC(=O)[C@]1(OC)CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 1329543406 FIAOUNTUGPQXGJ-LBPRGKRZSA-N 312.282 -0.268 5 10 DBBE C/C=C(\C)C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1334600418 GEIFRSSWUUSCOA-VIXUHMKYSA-N 311.338 -0.303 5 10 DBBE NC(=O)[C@H]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1525209152 MKYMUQDRKYCJCF-DTWKUNHWSA-N 308.294 -0.473 5 10 DBBE CN1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 1558847463 QGRWFNVISVHLNP-UHFFFAOYSA-N 321.337 -0.319 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCCCn1cccnc1=O 1635989381 FWCGKYMNRDFFSU-UHFFFAOYSA-N 306.282 -0.295 5 10 DBBE COc1ccc(OCC(=O)N2CCN=C2C[N+](=O)[O-])c(OC)n1 1852861484 LDNPCYDPMLWXMW-UHFFFAOYSA-N 324.293 -0.005 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NCCC(CO)CO)c1 2184374803 KWQLPLFIXNFRBB-UHFFFAOYSA-N 305.312 -0.741 5 10 DBBE Cc1nc(NS(=O)(=O)C[C@H](N)C(=O)O)ccc1[N+](=O)[O-] 2233129575 GCMJZNJOUPKQDT-LURJTMIESA-N 304.284 -0.548 5 10 DBBE O=C(O)[C@H]1COC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 90364634 BXDZTGRULZEYEK-UWVGGRQHSA-N 316.291 -0.027 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 127002553 YAMHALZFZICLHM-ZETCQYMHSA-N 314.323 -0.314 5 10 DBBE C[C@@H](O)C(=O)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 281139940 ZCOBCURBEJSECC-SECBINFHSA-N 323.305 -0.034 5 10 DBBE CCN([C@H]1CCNC1=O)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594781563 RVCRAKHEYYJTFL-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 595352835 PGRLVOLSODEVPP-SECBINFHSA-N 314.323 -0.207 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 599289280 WRINKQFVSXQAAZ-SNVBAGLBSA-N 303.296 -0.017 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)[C@@H](O)CO 698916800 CMUAVTBRDDSBPB-WKEGUHRASA-N 308.287 -0.246 5 10 DBBE COCOCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859385744 UZBIXYPZOONQJI-UHFFFAOYSA-N 308.316 -0.383 5 10 DBBE C[C@@H]1NC(=O)[C@@H](C)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1C 1144384714 IXAMFQXNKLBALF-IVZWLZJFSA-N 322.321 -0.120 5 10 DBBE CCC(=O)N1CCC(N(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1290756280 ZJYBBWURQXYLGD-VXGBXAGGSA-N 313.354 -0.127 5 10 DBBE CN(CCCNC(=O)c1nn(C)cc1[N+](=O)[O-])S(C)(=O)=O 1334740081 MGFMNGXTSHMMIU-UHFFFAOYSA-N 319.343 -0.660 5 10 DBBE Cc1n[nH]cc1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1351790721 JQPNZVCJBOWSIV-MWLCHTKSSA-N 309.326 -0.038 5 10 DBBE COCCNC(=O)CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1440560813 CAZRDLGGCZHXJL-GFCCVEGCSA-N 311.294 -0.493 5 10 DBBE CCNS(=O)(=O)[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 1559689018 HGAAUPCPCDCISG-JTQLQIEISA-N 317.371 -0.158 5 10 DBBE COC1(OC)CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1O 1570616629 UXKKWMLHKNAULO-SECBINFHSA-N 314.298 -0.476 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 1632867656 SRZXEJYPCJDTAF-UHFFFAOYSA-N 310.262 -0.037 5 10 DBBE O=C(NCCN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1656198337 NZMGGJRZSLMVTG-OJAKKHQRSA-N 324.381 -0.338 5 10 DBBE CN(C)CCC(=O)N1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1681604296 HUZCEJJZKYDEFD-VXGBXAGGSA-N 324.381 -0.336 5 10 DBBE C[C@@H]([C@@H](C)Nc1ncnc(NN)c1[N+](=O)[O-])S(C)(=O)=O 2170587600 DAAFNWFJLJALLP-RITPCOANSA-N 304.332 -0.096 5 10 DBBE CN=c1[nH]c(N=[S@](C)(=O)[C@@H]2CCNC2)ncc1[N+](=O)[O-] 2173820847 QOFBMYFEQSTICB-JLPJYYFKSA-N 300.344 -0.060 5 10 DBBE Cc1ncc([N+](=O)[O-])c(=N[C@@H](C)CS(=O)(=O)N(C)C)[nH]1 2286676385 NMJPVXBJIMCONU-ZETCQYMHSA-N 303.344 -0.193 5 10 DBBE NCc1cc([N+](=O)[O-])ccc1O[C@@H]1CS(=O)(=O)C[C@H]1O 37709995 NGZITWTZBVCIFH-MWLCHTKSSA-N 302.308 -0.410 5 10 DBBE COC(=O)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 299466422 AAWJUOLICNAVHV-SECBINFHSA-N 309.278 -0.222 5 10 DBBE CNc1sc(S(=O)(=O)N[C@H]2COC[C@@H]2O)cc1[N+](=O)[O-] 323409873 MDHWKROHMPKJNA-FSPLSTOPSA-N 323.352 -0.264 5 10 DBBE CNS(=O)(=O)NCC(=O)NCCc1ccccc1[N+](=O)[O-] 450018194 QXMICQZQMQDWCP-UHFFFAOYSA-N 316.339 -0.693 5 10 DBBE CN(CCOCCO)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594782786 ZWZQBBJQBUOGDX-UHFFFAOYSA-N 305.312 -0.381 5 10 DBBE COC(=O)CCSCCNC(=O)Cn1cnc([N+](=O)[O-])n1 609605931 VJGZNRFZNWHRKL-UHFFFAOYSA-N 317.327 -0.401 5 10 DBBE O=C(NC[C@@H]1CNC[C@H]1O)c1cc([N+](=O)[O-])cnc1Cl 702813681 NDTNYKDIYDQUSB-IMTBSYHQSA-N 300.702 -0.047 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)c1 706680201 HXYQGYNKKBWGST-UWVGGRQHSA-N 303.296 -0.582 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccccc1[N+](=O)[O-] 1179618700 KTXYDKJOLXDWKR-QMMMGPOBSA-N 302.308 -0.270 5 10 DBBE COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1338545719 AQQGOPQRBLGCSV-WCBMZHEXSA-N 312.282 -0.533 5 10 DBBE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)C 1570196590 LCRWSCCXKDYHQL-GHMZBOCLSA-N 300.359 -0.480 5 10 DBBE CN1CCN(C)[C@H](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 1628980663 JIDRGWVOYIBQMT-SSDOTTSWSA-N 316.749 -0.053 5 10 DBBE Cc1nn(CC(=O)N=[S@@](C)(=O)CCN)c(C)c1[N+](=O)[O-] 1924715246 YMXGJPCKPWFYJE-FQEVSTJZSA-N 303.344 -0.009 5 10 DBBE COC(=O)[C@H](N)CS(=O)(=O)Nc1ccc([N+](=O)[O-])cn1 2286052139 UVVZNGLXZZVKEV-SSDOTTSWSA-N 304.284 -0.768 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(N2CCNC2=O)CC1 54317874 FEQHQYBBHXWPED-UHFFFAOYSA-N 322.325 -0.193 5 10 DBBE NNc1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1[N+](=O)[O-] 131586408 MLHWZMRUPHUNGK-SSDOTTSWSA-N 302.312 -0.052 5 10 DBBE Cc1c(CC(=O)N2CC[C@@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] 286895555 XRVPIMXAIJLRAS-AWEZNQCLSA-N 307.306 -0.106 5 10 DBBE CNc1nccc(C(=O)N[C@](C)(CCO)COC)c1[N+](=O)[O-] 563390216 PUGAUAUCXKYFMK-CYBMUJFWSA-N 312.326 0.549 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncnc(N)c1[N+](=O)[O-] 696993904 FVWHLAQBYSKYRM-PHDIDXHHSA-N 303.300 -0.809 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)OCCNS(=O)(=O)CC)n1 755572861 MKQGEWYDPPRTBO-UHFFFAOYSA-N 320.327 -0.093 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cnnn2C)n1 803464636 IBXKVAYSGMNHHF-UHFFFAOYSA-N 308.254 -0.021 5 10 DBBE O=C1NCC2(CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)O1 845948815 YZDYYRYXFCBOQM-UHFFFAOYSA-N 314.279 -0.527 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@@H](CO)[C@@H](O)C1 1141988991 JJXIULHDSAYJJW-KWQFWETISA-N 324.289 -0.209 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCN2C[C@H](O)C[C@H]2C1 1144246309 DVEYLAJRLMEPPX-NKWVEPMBSA-N 315.717 -0.138 5 10 DBBE Cc1ccnn1CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1285368696 ZOVCWAHAOGPAAY-VXGBXAGGSA-N 323.353 -0.226 5 10 DBBE O=C(NC[C@@H](O)CN1CCCC1=O)c1ccc([N+](=O)[O-])cn1 1319891989 CUAFHOGVICPWCL-SNVBAGLBSA-N 308.294 -0.297 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)O)[C@H]2CCCOC2)n1 1344557245 SVVLHJGSHVNFRV-IONNQARKSA-N 312.282 -0.062 5 10 DBBE COC1(OC)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1O 1452125569 YPCBKSFVKLWVKS-VIFPVBQESA-N 314.298 -0.626 5 10 DBBE CN1CCN(C)[C@H](CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 1465079304 DDTRWYOBIHRWGQ-SNVBAGLBSA-N 308.342 -0.452 5 10 DBBE CCS(=O)(=O)CCCNC(=O)c1nn(C)cc1[N+](=O)[O-] 1528587295 RLQRDMUYJKDFGZ-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCn1cccnc1=O 1635989816 PVRSYTNINORABC-UHFFFAOYSA-N 320.309 -0.137 5 10 DBBE Cn1ncnc1C1(O)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 1651094463 DJWSLTGLIGGGHG-UHFFFAOYSA-N 317.305 -0.004 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ccn(C)n1 1745308310 LAKCYYMIWAEJNR-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE C[C@H](N=c1[nH]c(=N)[nH]cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 2146103141 LHLJGJRQQKNJNN-NKWVEPMBSA-N 301.328 -0.546 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1CCCCC(N)=O 2156814151 WVJRRGYFBSANAC-UHFFFAOYSA-N 305.316 -0.597 5 10 DBBE Cc1nc(CS(=O)(=O)CCNCCN)ccc1[N+](=O)[O-] 2167472809 IOQMTGLLMZCQNE-UHFFFAOYSA-N 302.356 -0.239 5 10 DBBE NNc1ccc([N+](=O)[O-])c(N[C@H]2CS(=O)(=O)C[C@H]2O)c1 2206803308 VDZKBYVYIJZLLB-WCBMZHEXSA-N 302.312 -0.550 5 10 DBBE NC[C@H](CO)NS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235873982 SFPSDIRSBHZDMR-RXMQYKEDSA-N 311.266 -0.529 5 10 DBBE C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O 19232365 QMDRKHCGNYNHDR-SSDLBLMSSA-N 322.270 -0.154 5 10 DBBE COCCN(CC(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302116 NRTGJOOWBXHRFN-UHFFFAOYSA-N 319.295 -0.289 5 10 DBBE O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCO1 70302121 XJUCOUYQPPZDQP-QMMMGPOBSA-N 317.279 -0.536 5 10 DBBE O=C1CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)CCCN1 312360407 ZBIUDAQHOZSAKV-UHFFFAOYSA-N 300.296 -0.500 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1CCN2CCOC[C@H]2C1 363806820 RLZZCGOUJOEODL-CYBMUJFWSA-N 308.338 -0.227 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] 600242361 UOIJSXFYGNMVEO-SKDRFNHKSA-N 322.321 -0.156 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 693955088 RAGGCNBKRYFPJK-SSDOTTSWSA-N 300.296 -0.656 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2O)cc1[N+](=O)[O-] 707022879 QUBIUNJKURLUCC-VDTYLAMSSA-N 323.352 -0.333 5 10 DBBE O=C(O)[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 715284606 KXOZKXUTAYVSSL-POYBYMJQSA-N 301.280 -0.011 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](S(N)(=O)=O)C1 1116383651 ZHICXZUFUYBQDS-SECBINFHSA-N 314.323 -0.199 5 10 DBBE Cn1nccc1[C@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 1327252721 UUKLHSKRTZIGLI-SNVBAGLBSA-N 321.297 -0.480 5 10 DBBE C/C=C(/C)C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1334600416 GEIFRSSWUUSCOA-GIGCTMKZSA-N 311.338 -0.303 5 10 DBBE CCN(CC)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1358661141 FAQKPHKCFYTQEY-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE O=C(NCCS(=O)(=O)N1CCCC1)c1c[nH]nc1[N+](=O)[O-] 1472136020 YDJUTNFKIQPVBL-UHFFFAOYSA-N 317.327 -0.527 5 10 DBBE Cc1ccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1496012612 KRKBKSGIOHUHRS-MWLCHTKSSA-N 307.310 -0.362 5 10 DBBE COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)Cn1ccnn1 1626063709 KUKQNNAOCQFOMF-SNVBAGLBSA-N 321.293 -0.014 5 10 DBBE COCCn1nnc2c1CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C2 1636330136 IBQQEKZILYUPAL-UHFFFAOYSA-N 321.297 -0.246 5 10 DBBE COC(=O)c1cnc(N2CCN(C(N)=O)CC2)c([N+](=O)[O-])c1 1639712789 IJCLVKZDQIZUOD-UHFFFAOYSA-N 309.282 -0.023 5 10 DBBE Cn1cc([N+](=O)[O-])c(NC[C@@]2(CO)COC[C@@H]3CCCN32)n1 1651525042 KNYCPHMGZJEQKX-GXFFZTMASA-N 311.342 -0.034 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CC2(C1)OC[C@H](O)[C@H]2O 2183638601 QIXXJGPTHCREJA-CAHLUQPWSA-N 302.674 -0.651 5 10 DBBE CS(=O)(=O)C[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] 2360519414 KFWAFXQDLSIBHN-VIFPVBQESA-N 301.324 -0.417 5 10 DBBE NC(=O)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 132006243 UMAQFUQHLXZATB-UHFFFAOYSA-N 302.312 -0.279 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2COC[C@H]2O)ccc1F 323364294 LPGPVQSYCNSMFY-PSASIEDQSA-N 306.271 -0.228 5 10 DBBE COc1cccc(C(=O)N2CC[C@](O)(C(N)=O)C2)c1[N+](=O)[O-] 355028329 GHVFZQHQXGBRGG-CYBMUJFWSA-N 309.278 -0.334 5 10 DBBE Cn1cnc(CCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)n1 591958481 HBZRQWZVOLMRHB-UHFFFAOYSA-N 322.329 -0.148 5 10 DBBE CCn1cc(S(=O)(=O)NC[C@@](C)(CO)OC)c([N+](=O)[O-])n1 594484372 JLFURKMVWVOPHU-JTQLQIEISA-N 322.343 -0.513 5 10 DBBE COCCOCCN(CCO)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] 600242284 ONMVDHSPPHFODX-UHFFFAOYSA-N 316.314 -0.276 5 10 DBBE CS(=O)(=O)c1ccc(N[C@@H]2CNC[C@@H]2O)c([N+](=O)[O-])c1 704182131 UYIBWRZBROUGNU-KOLCDFICSA-N 301.324 -0.257 5 10 DBBE CNc1ccc([N+](=O)[O-])c(N2CC[C@H](S(N)(=O)=O)C2)n1 707428328 JVJGQOOVBKATNG-ZETCQYMHSA-N 301.328 -0.101 5 10 DBBE COc1ncc(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)cn1 863442606 YHOAIUAMYSBEKT-UHFFFAOYSA-N 306.282 -0.051 5 10 DBBE COC[C@@H](CO)NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1297280359 FNEGJZUMXYOTMM-SNVBAGLBSA-N 321.293 -0.087 5 10 DBBE CCC(=O)N1CCN(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1577831688 JQIVNKHRPDFKAG-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H](CO)CC(F)F 1625061639 LYOMTXAORSLYPV-ZETCQYMHSA-N 305.237 -0.111 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 1635438384 WQHCOUCRYKLICT-UHFFFAOYSA-N 302.312 -0.413 5 10 DBBE Cc1c(CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] 1655057766 USRUPUNRSSCHNZ-PHIMTYICSA-N 306.322 -0.078 5 10 DBBE C[C@H]1[C@H](O)CN1S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 2182522489 FTVQLLRKHRCFFX-IMTBSYHQSA-N 302.312 -0.366 5 10 DBBE CO[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 2188225888 YOWRWHMXKRXMSF-VXNVDRBHSA-N 302.312 -0.054 5 10 DBBE O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1NC[C@H](O)[C@H]1O 2201148236 FSHRUCMRZSCBFM-IVZWLZJFSA-N 301.686 -0.120 5 10 DBBE CCCS(=O)(=O)CCN=c1[nH]c(=NC)[nH]cc1[N+](=O)[O-] 2204664246 ICEXISSROLRHIB-UHFFFAOYSA-N 303.344 -0.493 5 10 DBBE NCC(CO)(CO)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] 2280474376 MASMXRFFECHMMZ-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE O=[N+]([O-])c1ccc(CNCC2(O)CS(=O)(=O)C2)c(F)c1 2283080967 GOTVUJZHMFQOKT-UHFFFAOYSA-N 304.299 -0.017 5 10 DBBE COCCNS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN 37928590 BCUDQZUPTMFBCN-UHFFFAOYSA-N 308.291 -0.056 5 10 DBBE C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCS1(=O)=O 132123027 LBHFUYGOAVYHAZ-JTQLQIEISA-N 315.351 -0.125 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 136168053 IFDYESAEZMDTEE-ZCFIWIBFSA-N 317.327 -0.577 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COCCN2)s1 599105935 GWOWNJOIMJWPOJ-ZETCQYMHSA-N 307.353 -0.077 5 10 DBBE CN(C)S(=O)(=O)N1CC(Nc2ccc([N+](=O)[O-])cn2)C1 599182546 MLWGCGQWYSKOMH-UHFFFAOYSA-N 301.328 -0.108 5 10 DBBE NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 615930949 ASBDCJWPXZWYDZ-PTRXPTGYSA-N 307.310 -0.096 5 10 DBBE Cn1cnc([N+](=O)[O-])c1OCC[C@H]1CNCCS1(=O)=O 725062121 UUYIJVNOZSEGNF-QMMMGPOBSA-N 304.328 -0.516 5 10 DBBE O=C(Cc1cc[nH]n1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 940578078 WSDQYLIZRIJFIK-VXGBXAGGSA-N 321.337 -0.322 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](O)[C@@H](CO)C1 1162035880 NSBRPAYZZVDONY-GHMZBOCLSA-N 312.326 -0.308 5 10 DBBE CC(C)C(=O)NCC1(O)CN(Cc2c([N+](=O)[O-])ncn2C)C1 1569767460 USLFTFOOKKCGNY-UHFFFAOYSA-N 311.342 -0.353 5 10 DBBE Cn1cc([N+](=O)[O-])c(NC[C@@]23COCCN2C(=O)COC3)n1 1640289214 PIOJZUWXBCIZTJ-LBPRGKRZSA-N 311.298 -0.632 5 10 DBBE CC(=O)NCCOCCOCCOCCOCC[N+](=O)[O-] 2060438468 AFTYWYOYKASMHP-UHFFFAOYSA-N 308.331 -0.534 5 10 DBBE Nc1cc(=NCCNS(=O)(=O)C2CC2)[nH]cc1[N+](=O)[O-] 2165865610 ZYFKUNRJTVIXQV-UHFFFAOYSA-N 301.328 -0.512 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=N[C@@H](C)[C@H](C)S(C)(=O)=O)[nH]1 2170593846 JQYDLAPVQBIRHA-BQBZGAKWSA-N 303.344 -0.496 5 10 DBBE CN(C)S(=O)(=O)c1ncn(-c2nn(C)cc2[N+](=O)[O-])n1 2179130329 PFYSHNOAPKSARW-UHFFFAOYSA-N 301.288 -0.841 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(CO)CNC2)cc1 2201717527 VVKIKCYYWXDELY-UHFFFAOYSA-N 301.324 -0.545 5 10 DBBE O=C(O)CC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)O 50469709 XQUYMFSAXZMJET-LURJTMIESA-N 300.227 -0.775 5 10 DBBE C[C@@](O)(CO)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 126539528 CWODTQFUUHTBHF-JTQLQIEISA-N 308.287 -0.245 5 10 DBBE N[C@@H](Cn1cc([N+](=O)[O-])cc(Br)c1=O)C(=O)O 165350789 GNHUOXALVKKHAU-LURJTMIESA-N 306.072 -0.069 5 10 DBBE O=[N+]([O-])c1ccc(NS(=O)(=O)N2CCNCC2)c(O)c1 236598108 GWJQZRIFGMGGNS-UHFFFAOYSA-N 302.312 -0.138 5 10 DBBE COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cn1 532388361 VGPJQHYBIHUTQT-SNVBAGLBSA-N 322.277 -0.507 5 10 DBBE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] 592870845 GMMCROSNKVDZRC-SECBINFHSA-N 324.341 -0.480 5 10 DBBE CC1(C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]2COC[C@H]2O1 593357353 SYPZKTAKEMAXES-RKDXNWHRSA-N 311.298 -0.409 5 10 DBBE CN1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1=O 593547979 JZEXDNJPSBZFMQ-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE COC(=O)c1ccnc(N2CC(=O)N(C)C(=O)C2)c1[N+](=O)[O-] 598620086 WFZDJYZHGPMLOQ-UHFFFAOYSA-N 308.250 -0.419 5 10 DBBE N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 725373265 GPLGNQGLXIGDHD-MNOVXSKESA-N 301.324 -0.011 5 10 DBBE CN1CC[C@@](O)(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 1138061775 UGUIENIEELHHAM-SNVBAGLBSA-N 303.706 -0.232 5 10 DBBE CC(=O)NC[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1142579685 VGKJJHRMFXHEBB-SNVBAGLBSA-N 310.314 -0.439 5 10 DBBE C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)CN1CCO 1162247836 BRKVPAFKJOQOPI-UWVGGRQHSA-N 311.342 -0.145 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)c1cn(C)nn1 1349522735 MJSQBJPXNWNFFX-UHFFFAOYSA-N 308.254 -0.346 5 10 DBBE COC(=O)CC1(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1349637800 URXZAIONXWZJLD-UHFFFAOYSA-N 309.278 -0.032 5 10 DBBE O=C1NCCO[C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)[C@@H]12 1460672171 QWQMLNUTFCOTGN-NWDGAFQWSA-N 309.326 -0.229 5 10 DBBE O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1)c1ccc([N+](=O)[O-])o1 1558063101 OWWWSMSGPANOCO-SXILTZBTSA-N 319.229 -0.229 5 10 DBBE CCOC(=O)[C@@H](CO)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1596547781 XVDLSRNLVGNSOH-GHMZBOCLSA-N 312.278 -0.332 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](CO)[C@H]1CCOC1 1624226465 RKXAFWGHNJZONT-GXSJLCMTSA-N 311.294 -0.730 5 10 DBBE COC(=O)[C@](C)(CO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1629648960 DRNWVRMEAACNKQ-GWCFXTLKSA-N 312.278 -0.332 5 10 DBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC(CO)(CO)C1 1637850150 RBJNPTYJUGPHIN-UHFFFAOYSA-N 320.305 -0.242 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(C)nn1 1691181173 PSLAZDNUAQGNCI-VXGBXAGGSA-N 310.358 -0.192 5 10 DBBE CC(C)CNC(=O)CNCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1691314819 HVQHNROAQUMQHB-GHMZBOCLSA-N 300.359 -0.528 5 10 DBBE NS(=O)(=O)C1CN(c2ccc(C(=O)O)c([N+](=O)[O-])c2)C1 1915002449 YIHNTDJNJWVXAJ-UHFFFAOYSA-N 301.280 -0.230 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@H]1[C@@H]2COC[C@@H]21 2188903939 GBQAZUZTKJLKDP-WHUPJOBBSA-N 302.312 -0.360 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1CC1[C@@H]2COC[C@@H]12 2188903940 GBQAZUZTKJLKDP-YUMQZZPRSA-N 302.312 -0.360 5 10 DBBE O=C(O)CCn1cc(S(=O)(=O)N2CC([N+](=O)[O-])C2)cn1 2191540137 HDNSERLQIPNKDT-UHFFFAOYSA-N 304.284 -0.993 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NCCNS(=O)(=O)C(F)F)[nH]1 2238982639 MQRRFJDBGDBAAW-UHFFFAOYSA-N 313.286 -0.213 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)CC(C)(C)CN)n1 2240632528 MSBGUWUCUGSRLM-UHFFFAOYSA-N 305.360 -0.267 5 10 DBBE CNS(=O)(=O)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] 231003994 MLIISGQDBZVMBB-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNCc2nnc3ccccn23)c1 562450057 CFIMTIAANOPUAT-LLVKDONJSA-N 317.309 -0.015 5 10 DBBE Cn1ccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])cn2)n1 590539677 XQOGIBUOOHTUOC-UHFFFAOYSA-N 304.266 0.092 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O 595662925 FUALTZOWJBBGRO-CMPLNLGQSA-N 311.294 -0.323 5 10 DBBE CSCCC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1295340353 UBHPRXRZMCOYPK-GPTQDWHKSA-N 313.379 -0.022 5 10 DBBE C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])CN1CCN(C)CC1 1320398789 KOYYCNGCAMBZKH-NSHDSACASA-N 324.385 -0.058 5 10 DBBE O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccnn1C(F)F 1491282796 MCSBIDGRGJVMHN-HTRCEHHLSA-N 317.252 -0.211 5 10 DBBE NC(=O)C[C@H]1COCCN1CCn1cc([N+](=O)[O-])ccc1=O 1559917741 ONFSEHKDVHOMAY-NSHDSACASA-N 310.310 -0.667 5 10 DBBE COC(=O)[C@@H](O)C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1632297633 HQBVISIXUOVXOP-JTQLQIEISA-N 312.282 -0.296 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN[C@@H](c2cn[nH]c2)C1 1642161175 KXESCHCVHXVKGT-LLVKDONJSA-N 319.325 -0.004 5 10 DBBE CN(CCNC(=O)C1CC1)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1732581867 RPBCZCTTWIIWNR-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE CCn1nnc(C)c1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1736928681 YBQFRWVWOAWDCX-NXEZZACHSA-N 324.341 -0.492 5 10 DBBE Cc1c[nH]c(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1758369764 RBOMTBKDJOOBPE-NXEZZACHSA-N 309.326 -0.038 5 10 DBBE CCON(C1CNC1)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2174946587 SHBNRLQLPMENDN-UHFFFAOYSA-N 302.312 -0.096 5 10 DBBE CN(NS(=O)(=O)c1c(N)cccc1[N+](=O)[O-])S(C)(=O)=O 2365287233 WIWIYZOJCZCDKJ-UHFFFAOYSA-N 324.340 -0.738 5 10 DBBE CCN=c1nc(NN(C)S(C)(=O)=O)c([N+](=O)[O-])c(C)[nH]1 2365338824 HRSGMDHGDRNZGM-UHFFFAOYSA-N 304.332 -0.235 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 131311439 LFZKHJHTIIUQQB-ZCFIWIBFSA-N 317.327 -0.707 5 10 DBBE Cn1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(NN)c2)n1 131333788 SZVTZDLSQZTOFM-UHFFFAOYSA-N 314.287 -0.795 5 10 DBBE CC(C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@@H]12)[C@@H](C)O 248144678 DNAWGBOKUFFVMB-FESDDOHESA-N 315.366 -0.315 5 10 DBBE CN(Cc1nnnn1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] 343583051 ROTUEJFMBYJQPX-JTQLQIEISA-N 322.325 -0.010 5 10 DBBE CCOC(=O)[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC12COC2 452256030 GUMIMORSPYIUOZ-MRVPVSSYSA-N 324.293 -0.030 5 10 DBBE CN(C)CCN(CCN(C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] 539026799 UDUYIGHXTFXKGE-UHFFFAOYSA-N 312.374 -0.106 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[C@@]3(N)C2)n1 599100755 MXVMNQFZYYKMEM-LDYMZIIASA-N 315.355 -0.170 5 10 DBBE CSC[C@@](C)(O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599244017 XNQVISRYRSKENW-VIFPVBQESA-N 324.384 -0.279 5 10 DBBE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 1321956790 RMISMDJEBHSYSK-JGVFFNPUSA-N 317.327 -0.780 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@@H]2c2ncno2)c1 1327347562 SZLLSLZATPYGFY-WDEREUQCSA-N 324.297 -0.391 5 10 DBBE C[C@H]1CCNC(=O)[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1568085913 LALXSMPVLVUSQX-UFBFGSQYSA-N 308.294 -0.603 5 10 DBBE Cc1nn(C)cc1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1576881162 YUZIBFBLMNNSDY-ZYHUDNBSSA-N 323.353 -0.028 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@]1(O)CCSC1 1621770114 IIUAACCPFAANEH-LBPRGKRZSA-N 313.335 -0.259 5 10 DBBE C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CN(C)CCN1C 1628390584 VHIMNAGVPGRNHT-BXKDBHETSA-N 322.369 -0.064 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CCO)C[C@@H]2C)n1 1629798279 GUURTGSAIWFKGH-JTQLQIEISA-N 311.342 -0.050 5 10 DBBE O=C1NCCO[C@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]12 1636384551 NJLOGCVRSOTKJA-CABZTGNLSA-N 323.309 -0.703 5 10 DBBE C[C@H](CS(N)(=O)=O)Nc1nc(C(=O)O)ccc1[N+](=O)[O-] 2152940061 LTESHCNORFDREP-RXMQYKEDSA-N 304.284 -0.223 5 10 DBBE C[S@@](=O)CC1(C)CN(c2nc(NN)ncc2[N+](=O)[O-])C1 2186341483 UTBGMCKRFYASNK-HXUWFJFHSA-N 300.344 -0.125 5 10 DBBE CNC(=O)CNS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235871885 VRYXMNCTWGNJRQ-UHFFFAOYSA-N 309.250 -0.103 5 10 DBBE CS(=O)(=O)C[C@@H](N)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2360554246 UAAJPKTXNGSEON-SSDOTTSWSA-N 303.296 -0.389 5 10 DBBE Cc1nc(N)nc(NCCS(=O)(=O)N(C)C)c1[N+](=O)[O-] 231030527 RSLQGMOXKUUKQQ-UHFFFAOYSA-N 304.332 -0.421 5 10 DBBE CNc1nccc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1[N+](=O)[O-] 594371547 DBQYEZRTCSQNJE-KLBQYZOKSA-N 310.335 0.377 5 10 DBBE C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594781190 OCEGXNLSLDOSHL-IONNQARKSA-N 314.323 -0.207 5 10 DBBE CNC(=O)NC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 599539889 RGWWIUOLOXDUKN-SNVBAGLBSA-N 312.330 -0.579 5 10 DBBE Cn1[nH]c(=O)c(=O)nc1Sc1ncnc(F)c1[N+](=O)[O-] 689001516 WTDBEISYMLCKDL-UHFFFAOYSA-N 300.231 -0.543 5 10 DBBE NS(=O)(=O)C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC1 721534244 AEVTWVKUABLRJV-UHFFFAOYSA-N 302.312 -0.136 5 10 DBBE NCCOCCS(=O)(=O)NCc1cccc([N+](=O)[O-])c1 722203173 VNLIAENRRSIMRV-UHFFFAOYSA-N 303.340 -0.011 5 10 DBBE CS(=O)(=O)C[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 1273798073 MYNBTSDDRFJPSB-VIFPVBQESA-N 316.339 -0.316 5 10 DBBE Cc1cncn1CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1285943875 NTDQIESVIBGUSB-GHMZBOCLSA-N 321.337 -0.378 5 10 DBBE Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n(C)n1 1299123895 MJJCXSRMVKEXQO-NXEZZACHSA-N 321.337 -0.228 5 10 DBBE COC1(OC)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1O 1299815299 VHKGJCYQSSQLGL-MRVPVSSYSA-N 300.271 -0.486 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1C[C@H]2COC[C@@H](C1)O2 1467384553 UDYHFEQWLMBPLJ-AOOOYVTPSA-N 309.278 -0.617 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(F)(F)[C@H](CO)C1 1468392228 MBOAINZCFODGNG-ZETCQYMHSA-N 305.241 -0.338 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC2(CN(C)C(=O)O2)C1 1469125317 WCWQZMAFJQWCRK-UHFFFAOYSA-N 309.282 -0.237 5 10 DBBE Cn1nccc1CCC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1491698185 VMVCYCMAFKTSDT-VXGBXAGGSA-N 323.353 -0.360 5 10 DBBE O=C1CC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C(=O)N1 1623448601 DYVYGGHTZTZUMD-KOLCDFICSA-N 307.262 -0.450 5 10 DBBE CN1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 1653919970 RCZQIODLCMHTJG-UHFFFAOYSA-N 307.310 -0.506 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C(N)=O)cc1 1663180713 PJQIUWYKPAFYQJ-CHWSQXEVSA-N 320.349 -0.001 5 10 DBBE O=C(Cc1ccc(O)nc1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703364413 SZUUMKQKDMJVLY-GHMZBOCLSA-N 322.321 -0.383 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2(O)CNC2)c1 2143832707 XGOIXQZTWJYZMB-UHFFFAOYSA-N 301.324 -0.403 5 10 DBBE CS(=O)(=O)CCOc1ncc(C(=N)NO)cc1[N+](=O)[O-] 2189906741 KYOJQJXLRPBEJX-UHFFFAOYSA-N 304.284 -0.283 5 10 DBBE NNc1cccc(N2CC(CS(N)(=O)=O)C2)c1[N+](=O)[O-] 2194437253 PIBHTRWEKXFTDA-UHFFFAOYSA-N 301.328 -0.395 5 10 DBBE CN(C(=O)[C@H](N)CS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 2360559772 BNGBOKHCSMZZLY-SNVBAGLBSA-N 301.324 -0.071 5 10 DBBE O=c1oc2ccc([N+](=O)[O-])cc2n1[C@H]1CS(=O)(=O)C[C@@H]1O 37694406 GUJLWNAWGKKHCN-IUCAKERBSA-N 314.275 -0.167 5 10 DBBE Nc1sc(S(=O)(=O)N2CCOC[C@H]2CO)cc1[N+](=O)[O-] 168914671 PJEZAIKZEAANHF-ZCFIWIBFSA-N 323.352 -0.380 5 10 DBBE O=C(Cn1nc([N+](=O)[O-])nc1Br)N1CCNCC1 231803169 MIMOKXGIWDLZJU-UHFFFAOYSA-N 319.119 -0.619 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)N(C)C 593557356 COMKJTONHPSAOL-SSDOTTSWSA-N 302.312 -0.255 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCNC1=O 594788836 BMOPFFKCGKFMRS-QMMMGPOBSA-N 315.307 -0.230 5 10 DBBE CNC(=O)C[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599321233 JDHNLEMOUQJVKV-LURJTMIESA-N 305.316 -0.869 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccccc1[N+](=O)[O-] 600242389 VQTNEOBVWATNNA-SCZZXKLOSA-N 309.278 -0.579 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCOC(=O)C2CC2)n1 859185597 ZQGJDAVLNODSKZ-UHFFFAOYSA-N 318.311 -0.440 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(CC(N)=O)C1 1116050065 OADBDHYCXJUJMO-JTQLQIEISA-N 321.337 -0.022 5 10 DBBE CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1161037394 UXCDJDIZBANJOG-HRDYMLBCSA-N 303.340 -0.103 5 10 DBBE O=C(CNc1ccccc1[N+](=O)[O-])NC[C@]1(CO)COCCN1 1171661669 FYWYSDOWRODZOO-AWEZNQCLSA-N 324.337 -0.526 5 10 DBBE CCN(CCNC(=O)CN(C)C(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1284621492 UILDSMWYALVPKG-VXGBXAGGSA-N 314.386 -0.044 5 10 DBBE C[S@](=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1292880901 NJXZLSPOMQZDKP-QFIPXVFZSA-N 324.322 -0.321 5 10 DBBE Cc1nc[nH]c1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1294068816 NYRZLTAPCCWXPJ-NXEZZACHSA-N 309.326 -0.038 5 10 DBBE C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCS1(=O)=O 1454771461 QPXVZNUODXNKJC-ZETCQYMHSA-N 302.312 -0.413 5 10 DBBE NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1595484017 ZTZGWVMCQVUUPD-MNOVXSKESA-N 319.321 -0.240 5 10 DBBE O=C1CN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CCN1 1638328691 SJYAHWGANVDLEM-UHFFFAOYSA-N 310.285 -0.105 5 10 DBBE O=C1NC(=O)C2(CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C2)N1 1648746010 ISDBIPZSRWWBFB-UHFFFAOYSA-N 308.225 -0.232 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(C)C(N)=O 1737797135 DNEZLKWSIOBOJN-RKDXNWHRSA-N 314.342 -0.872 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cn[nH]c1 1743455744 BDCVBKFOFMRWJD-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE CN(CCCNC(=O)Cc1ccon1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758349990 WEGIIQPEHKEVJT-GHMZBOCLSA-N 310.310 -0.153 5 10 DBBE CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758943734 PUCFECXHXBINNN-GHMZBOCLSA-N 300.359 -0.434 5 10 DBBE CC(C)(C)OC(=O)N(CCO)CC(=O)N1CC([N+](=O)[O-])C1 1900051190 AYGLQQSGNBALCH-UHFFFAOYSA-N 303.315 -0.297 5 10 DBBE CN(C1COC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 1915669199 DYKZURSRSOKFND-UHFFFAOYSA-N 302.312 -0.100 5 10 DBBE NNc1sc(S(=O)(=O)Nc2ncncn2)cc1[N+](=O)[O-] 2149645730 DBQDHEREUYYGIS-UHFFFAOYSA-N 317.312 -0.072 5 10 DBBE C[S@@](=O)C1CN(S(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 2171954697 RMZGJMHZIJGSMV-LJQANCHMSA-N 319.364 -0.072 5 10 DBBE C[C@H](O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2174119073 NDDCBLBHJYXTTD-RCOVLWMOSA-N 308.287 -0.246 5 10 DBBE O=[N+]([O-])c1c(F)nc[nH]c1=NCCS(=O)(=O)C(F)F 2224295578 ZWLRRMSTWGZFJU-UHFFFAOYSA-N 300.218 -0.005 5 10 DBBE C[C@@H](O)CN(CCN)S(=O)(=O)c1cccc([N+](=O)[O-])c1 2285347989 QWSDSOTZYKTPEG-SECBINFHSA-N 303.340 -0.075 5 10 DBBE C[C@H](O)[C@@H](N)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 80754675 TWPIURHRCMUXST-XPUUQOCRSA-N 304.328 -0.638 5 10 DBBE C[C@@]1(Nc2ncnc(NN)c2[N+](=O)[O-])CCS(=O)(=O)C1 159838231 RKAPIRVYXRWKQI-SECBINFHSA-N 302.316 -0.341 5 10 DBBE NC(=O)CN(CC(N)=O)C(=O)c1cccc([N+](=O)[O-])c1Cl 160426592 JTVCFNCSNRDINK-UHFFFAOYSA-N 314.685 -0.339 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nn[nH]n1 709881127 NRECFCYGKSXKIY-UHFFFAOYSA-N 300.260 -0.806 5 10 DBBE CCn1ncnc1CN(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1265845330 JYNWRINEUUYWMB-GHMZBOCLSA-N 310.358 -0.099 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OCCOC1CCOCC1 1328751403 LCLRQFIMECHWQD-UHFFFAOYSA-N 300.271 -0.075 5 10 DBBE CCN(OC)C(=O)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 1332077786 GGRLYXOIWLAIGS-UHFFFAOYSA-N 314.302 -0.500 5 10 DBBE CCN(CCNC(=O)Cc1cnoc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1529032414 AVHKYORTAPIBBY-GHMZBOCLSA-N 310.310 -0.153 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1C(=O)N[C@@]2(CCOC2)C1=O 1656432718 UWXNYGYURYULSL-GFCCVEGCSA-N 309.282 -0.189 5 10 DBBE Cc1nn(C)cc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1724454276 QQVLBMHIBVVVDZ-VXGBXAGGSA-N 323.353 -0.943 5 10 DBBE CCc1nn(C)c(NC[C@@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 1965606407 FDTXTTQJMSRSJW-ZETCQYMHSA-N 303.344 -0.006 5 10 DBBE CN1[C@@H](Cn2cc([N+](=O)[O-])c(C(=O)O)n2)CCS1(=O)=O 2144912551 MBWWAGCKUIZEKN-ZCFIWIBFSA-N 304.284 -0.477 5 10 DBBE Cc1nn(C)c(N[C@H](CS(C)(=O)=O)C(=O)O)c1[N+](=O)[O-] 2360589831 BTJCNVVWTHRPMN-ZCFIWIBFSA-N 306.300 -0.454 5 10 DBBE NC(=O)OCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 135279404 GCKLLDIHOSNWTL-UHFFFAOYSA-N 304.284 -0.449 5 10 DBBE NC(=O)OCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 135279693 XSLDARRMBGJYGV-UHFFFAOYSA-N 310.313 -0.388 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCNC(N)=O 160829041 OFIUKMKLJVZMGM-UHFFFAOYSA-N 320.302 -0.011 5 10 DBBE O=C(CN1C[C@@H](O)C[C@@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 185177232 HRDGXCFVLHKBSI-OLZOCXBDSA-N 321.333 -0.089 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1 1157830282 ZEFAMDNPFXZOFX-SNVBAGLBSA-N 302.308 -0.270 5 10 DBBE CNC(=O)CN1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 1303884422 APJNIUXMBXGJLL-UHFFFAOYSA-N 310.314 -0.788 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[C@H]1C=NNC1=O 1470579881 OSTCCFGNJBMVEF-VIFPVBQESA-N 308.298 -0.272 5 10 DBBE Cc1nc[nH]c1CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1498638960 ZJPVJGXMZSBERQ-ZYHUDNBSSA-N 321.337 -0.500 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCCN2CCO 1558702675 VZIUTOMPIPTFGU-UWVGGRQHSA-N 309.326 -0.011 5 10 DBBE C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCS(=O)(=O)C1 1616233433 DGIDMROXDIBSII-QMMMGPOBSA-N 317.327 -0.921 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cncn1C 1737797755 NISKXPGVXZGHGG-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE O=[N+]([O-])c1cnc(N2CCN[C@@H]3CS(=O)(=O)C[C@H]32)s1 2087402918 SZVDZXBJMWSBIQ-RNFRBKRXSA-N 304.353 -0.374 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2COC[C@@H]2CO)c1 2146504399 LTYJGVYKSQMZIZ-KWQFWETISA-N 302.308 -0.120 5 10 DBBE O=[N+]([O-])c1cnc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(Cl)c1 2289412584 PFCOUYLCJDMYFT-JUWDTYFHSA-N 303.702 -0.207 5 10 DBBE NCCS(=O)(=O)CCOc1ncnc(Cl)c1[N+](=O)[O-] 2335860375 MMQWGJAEELMXEA-UHFFFAOYSA-N 310.719 -0.210 5 10 DBBE N[C@H](CN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O)C(=O)O 88117650 VATZRTAKQLZDFN-SSDOTTSWSA-N 315.263 -0.849 5 10 DBBE O=C1C[C@@]2(CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CN1 434303307 YMFYSIFXEUQKGI-ZDUSSCGKSA-N 322.325 -0.287 5 10 DBBE C[C@@](O)(CO)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 592431084 ZJEXLCPYACQFIB-AAEUAGOBSA-N 300.311 -0.333 5 10 DBBE CN(CCOCCO)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593592329 WPELLCDMPROSLG-UHFFFAOYSA-N 305.312 -0.381 5 10 DBBE CO[C@@]1(CO)CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 595662160 NHWHNXAFZNNPKT-OLZOCXBDSA-N 314.342 -0.375 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3CC2(CN)C3)n1 599101405 PNBMERZVLUWUGR-UHFFFAOYSA-N 301.328 -0.560 5 10 DBBE C[C@H]1CS(=O)(=O)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 1296449134 VJRPZBAMZHOBSQ-ZETCQYMHSA-N 314.323 -0.169 5 10 DBBE COCCN1C[C@H](C(=O)Nc2c([N+](=O)[O-])ncn2C)CC1=O 1460049434 JRRQSZCGNSLTQL-MRVPVSSYSA-N 311.298 -0.238 5 10 DBBE Cn1c(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2n(C)c1=O 1462925222 OZHMWBCYNVDJFM-MWLCHTKSSA-N 318.289 -0.159 5 10 DBBE COc1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 1533460172 UFDQSUHALKMKQE-BNEREYBLSA-N 324.293 -0.249 5 10 DBBE CN(C)c1ccc(C(=O)NC(CO)(CO)CO)cc1[N+](=O)[O-] 1866021784 GUGGBQLCJTVLKN-UHFFFAOYSA-N 313.310 -0.894 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1ccnc(O)c1[N+](=O)[O-] 2192677604 OILCRXLJAHHANP-SFYZADRCSA-N 302.312 -0.508 5 10 DBBE N[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccn1)C1CS(=O)(=O)C1 2202446880 MLBRZOZOJZKOFV-SECBINFHSA-N 300.296 -0.700 5 10 DBBE CS(=O)(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)O 2360572818 WWSVJDXKTIBBIL-RXMQYKEDSA-N 322.320 -0.116 5 10 DBBE C[C@H](O)CNCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 132272059 KIENOYRGRRKIOX-QMMMGPOBSA-N 319.339 -0.451 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](O)C(N)=O 227837793 NQIPOAZBBSFVJY-QMMMGPOBSA-N 303.296 -0.972 5 10 DBBE COC[C@H](O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 230141170 FBPISOFZXQGYLZ-MRVPVSSYSA-N 305.312 -0.335 5 10 DBBE CCN1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O 358013842 KBKJAWDCTKOVSV-UHFFFAOYSA-N 314.323 -0.132 5 10 DBBE CS(=O)(=O)NC1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 600325837 MLYWBYJVYUAEPE-UHFFFAOYSA-N 300.296 -0.637 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CNC[C@@H]1O 704140468 HHHDPCSFEDUBGW-APPZFPTMSA-N 305.287 -0.655 5 10 DBBE NC(=O)C[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 863483371 NUIXWDGUIUDBQT-WCQYABFASA-N 323.305 -0.269 5 10 DBBE O=C(c1ccc([N+](=O)[O-])o1)N1CCS(=O)(=O)C[C@@H]1CCO 1178395100 XJJXYTQHZWOYDG-QMMMGPOBSA-N 318.307 -0.191 5 10 DBBE C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 1277407371 XJXXLOIXEYEXIX-VGMNWLOBSA-N 310.314 -0.348 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@H](O)[C@@H](CO)C1 1299450149 KMPUWTNXOUJAQW-RITPCOANSA-N 304.690 -0.213 5 10 DBBE CN(C)C(=O)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1348133311 FDYCAOGYUOYNJL-UHFFFAOYSA-N 305.316 -0.963 5 10 DBBE CNC(=O)NC[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCO1 1655096852 ABYYHEBPCCHMAT-SNVBAGLBSA-N 312.330 -0.542 5 10 DBBE Cc1nn(C)cc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705255941 OKMBXIAKKIWCLO-MWLCHTKSSA-N 321.337 -0.228 5 10 DBBE O=C(NCCOCCOCCOCC[N+](=O)[O-])C(F)(F)F 2060438655 LRPHNTXAWQDRNB-UHFFFAOYSA-N 318.248 -0.009 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=NCCS(=O)(=O)C(F)F)[nH]1 2232496084 YFXIMFJDNOIGOW-UHFFFAOYSA-N 311.270 -0.680 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@H](O)CO)cc1[N+](=O)[O-] 90281433 YGMDLLDSTRBHKT-ZETCQYMHSA-N 306.296 -0.765 5 10 DBBE O=[N+]([O-])c1c(F)ncnc1NCCN1CCCS1(=O)=O 689055939 FNSDELCPMQLWEM-UHFFFAOYSA-N 305.291 -0.029 5 10 DBBE C[C@H](O)[C@@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 717413692 FSUDRGTWWCDKTR-RCOVLWMOSA-N 308.287 -0.246 5 10 DBBE C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)NCCF 1155565769 AMKMTVWRPMWPHZ-MRVPVSSYSA-N 314.273 -0.653 5 10 DBBE Cn1cc(N2CCN(Cc3cn(C)nc3[N+](=O)[O-])CC2=O)cn1 1167558584 PQYKYIXETMGEMZ-UHFFFAOYSA-N 319.325 -0.089 5 10 DBBE O=C(NCC1(O)CN(CC2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1325214901 VOXLSNWXGLQGGD-VXGBXAGGSA-N 313.354 -0.759 5 10 DBBE O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCNC1=O 1327975913 ZYGCFKQLQSXQIK-NSHDSACASA-N 320.305 -0.742 5 10 DBBE O=C1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C2(CN1)COC2 1462591554 YEWHRYFTCCSLOO-UHFFFAOYSA-N 305.290 -0.135 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H]2[C@H]1CCCN2CCO 1648401885 DUIKUWQATUKRNZ-VXGBXAGGSA-N 323.353 -0.151 5 10 DBBE CCN(CCNCc1ccn(C)c(=O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1732775827 WNCZRJOIYUMOHQ-CHWSQXEVSA-N 322.365 -0.011 5 10 DBBE COC(=O)c1ncsc1S(=O)(=O)N1CC([N+](=O)[O-])C1 1876174437 NKJKWTDPIABLKQ-UHFFFAOYSA-N 307.309 -0.421 5 10 DBBE Cn1c(Br)nnc1CN=c1nc([N+](=O)[O-])[nH]n1C 2057838855 APHVDABRFYRMAO-UHFFFAOYSA-N 317.107 -0.352 5 10 DBBE CN1[C@@H](CN=c2ccc([N+](=O)[O-])c(N)[nH]2)CCS1(=O)=O 2145344426 QJQYSLXTJZDKKK-SSDOTTSWSA-N 301.328 -0.560 5 10 DBBE CCCc1nn(C)c(NCCNS(N)(=O)=O)c1[N+](=O)[O-] 2157534435 JWJNBDLEJPSRNT-UHFFFAOYSA-N 306.348 -0.514 5 10 DBBE CCS(=O)(=O)NC1CN(c2cc(N)c([N+](=O)[O-])cn2)C1 2165865518 YTGBVBLEPKDMEO-UHFFFAOYSA-N 301.328 -0.300 5 10 DBBE O=C(O)[C@@H](CO)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 2188008319 MVMSBOKOYYDBLA-SSDOTTSWSA-N 304.280 -0.434 5 10 DBBE CS(=O)(=O)[C@@H](CN=c1[nH]c(=N)[nH]cc1[N+](=O)[O-])C1CC1 2232821775 QGZPIAXJCUHYIF-QMMMGPOBSA-N 301.328 -0.546 5 10 DBBE O=[N+]([O-])c1cncc(Cl)c1N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2289495416 UIVLBLCJGYWXGF-IHBFAXJASA-N 303.702 -0.207 5 10 DBBE CCNc1ncc([N+](=O)[O-])c(NCCS(=O)(=O)NC)n1 231029705 DDRVRJYZDZRRAP-UHFFFAOYSA-N 304.332 -0.222 5 10 DBBE C[C@H](O)[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 717413964 GYQOZMKGZSXIQN-WKEGUHRASA-N 308.287 -0.246 5 10 DBBE Cc1nc(NN)nc(N2CCS[C@H](CO)C2)c1[N+](=O)[O-] 719971329 AGVJEMVFIUOUKX-ZETCQYMHSA-N 300.344 -0.107 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1N 1118866169 WTQOHTKHJSGBSN-SFYZADRCSA-N 303.344 -0.314 5 10 DBBE CNC(=O)Cn1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)cn1 1291749114 OUHHHLMBHAPLKI-UHFFFAOYSA-N 307.270 -0.477 5 10 DBBE CNS(=O)(=O)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 1307809798 CXBCUXAJNWHTEL-UHFFFAOYSA-N 315.355 -0.428 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O 1329658908 ILYMAGAFUZTURV-AQRPAEKGSA-N 317.348 -0.116 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1[nH]nnc1C 1356469856 LCWAZHDTGCCTNE-NXEZZACHSA-N 324.341 -0.253 5 10 DBBE CNc1nccc(C(=O)N2CCC(CO)(CO)C2)c1[N+](=O)[O-] 1470547784 KPBMQQSYHLWQEP-UHFFFAOYSA-N 310.310 -0.152 5 10 DBBE Cn1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1533490926 DTNRRBHMDHNSKV-ONKIFHLLSA-N 307.310 -0.513 5 10 DBBE CON1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1557070626 VZVLLDIWAPDJAE-UHFFFAOYSA-N 310.310 -0.102 5 10 DBBE CNC(=O)C1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOCC1 1644528147 AHGRILMUJOMILV-UHFFFAOYSA-N 324.337 -0.359 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC3(C[C@@H](O)CNC3=O)C2)n1 1644589541 VRCXHKPIADBJPF-MRVPVSSYSA-N 323.309 -0.866 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)OC)n1 1649142145 ZSSVOJNKVZPJTD-HTQZYQBOSA-N 312.282 -0.440 5 10 DBBE CN(C(=O)C(=O)C(C)(C)C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1689644501 AIKLNBJFQGCZBS-NXEZZACHSA-N 311.338 -0.064 5 10 DBBE NC(=O)C1(O)CN(c2c(Br)cncc2[N+](=O)[O-])C1 1915222459 BUACLWXIUSAHNH-UHFFFAOYSA-N 317.099 -0.211 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1C[C@@H](O)C[C@@H]1O 2164975057 AZTOQAKPUZODNE-MRTMQBJTSA-N 302.308 -0.243 5 10 DBBE COc1ccc(CO)cc1S(=O)(=O)N1CC([N+](=O)[O-])C1 2191530425 QMJFTAUPGAQEQT-UHFFFAOYSA-N 302.308 -0.163 5 10 DBBE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])s1 2357881004 MAVPBACYLCDTID-FOPMIJGASA-N 302.264 -0.713 5 10 DBBE CN([C@@H]1CNC[C@H]1O)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 50102147 JLPFUILYLDLOLN-VXGBXAGGSA-N 315.351 -0.311 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCNC1=O 50661720 QUOAJKCBXKYRNE-SECBINFHSA-N 314.323 -0.266 5 10 DBBE COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 339004911 VSPHERWSFYCLJM-LURJTMIESA-N 323.352 -0.223 5 10 DBBE C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)S(C)(=O)=O 593566299 KSLPRXZHAFJLCF-ZETCQYMHSA-N 323.352 -0.299 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(CO)(CO)C1 595346397 VXFUYWVSIBSFPT-UHFFFAOYSA-N 316.335 -0.040 5 10 DBBE O=C(N[C@H]1CCNC1=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 597859501 ZAQDGKIPKWIMLY-QMMMGPOBSA-N 307.262 -0.016 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C(=O)NCC2(C)C)n1 599351047 VOHOONPGMZNRJV-SSDOTTSWSA-N 317.327 -0.869 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCO)CCOCCO 600115649 GXOOKIZYUPDOQL-UHFFFAOYSA-N 313.310 -0.258 5 10 DBBE COC(C)(C)CC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 861327347 YPUZOKMBTRZACL-UHFFFAOYSA-N 320.327 -0.052 5 10 DBBE Cc1nc(N2CCC[C@H](S(N)(=O)=O)C2)ncc1[N+](=O)[O-] 1184720053 NGLGQHHFUJLQPE-QMMMGPOBSA-N 301.328 -0.049 5 10 DBBE CCn1ncc(CN(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1264985144 NZZHHOHWQIRNSG-VXGBXAGGSA-N 310.358 -0.099 5 10 DBBE COc1ccc(NC(=O)C(=O)N[C@H]2CCNC2=O)cc1[N+](=O)[O-] 1333742445 WFNPLYWMXNKNNV-QMMMGPOBSA-N 322.277 -0.453 5 10 DBBE Cn1cc(C[C@@H](CO)NC(=O)Cn2cc([N+](=O)[O-])cn2)cn1 1451794782 IHKFRKPMGFPSKG-JTQLQIEISA-N 308.298 -0.755 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)COc1cccc([N+](=O)[O-])c1 1558190885 GXOOFEAUPOQTCE-UHFFFAOYSA-N 317.323 -0.280 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](O)[C@@H](CO)C1 1642949062 ZQXYBWLWGRJVON-RAIGVLPGSA-N 310.306 -0.170 5 10 DBBE O=C(c1ccccc1[N+](=O)[O-])N1CCN(C[C@H](O)CO)CC1 1653740078 UDQDLGAGMVMRNZ-NSHDSACASA-N 309.322 -0.294 5 10 DBBE COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 1670782123 WFWHDIIZNIDDOI-GHMZBOCLSA-N 321.337 -0.111 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NCC[C@H](O)CO)c1 2182235462 WNFZOKOWVRKIHZ-QMMMGPOBSA-N 308.287 -0.245 5 10 DBBE NNc1ccc(S(=O)(=O)NCCC(N)=O)cc1[N+](=O)[O-] 36747679 VTIGMCSMTRQHDB-UHFFFAOYSA-N 303.300 -0.966 5 10 DBBE C[C@@H](O)[C@H](N)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 80749082 PHGCKYDDKDJFHU-HZGVNTEJSA-N 307.303 -0.280 5 10 DBBE C[C@H](O)[C@@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131365094 BZCHFRPVLXKDKD-RCOVLWMOSA-N 307.303 -0.280 5 10 DBBE C[C@H](COc1c(F)cc([N+](=O)[O-])cc1S(N)(=O)=O)C(N)=O 215979945 OWMMFHBEFDYHPH-RXMQYKEDSA-N 321.286 -0.119 5 10 DBBE C[C@@](CO)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 313521451 ORKFAPPYIHGVBA-JTQLQIEISA-N 304.280 -0.291 5 10 DBBE COC(=O)c1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 371841321 QSTBHTZYYGKOQK-NQMVMOMDSA-N 309.282 -0.497 5 10 DBBE CNc1nccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] 573107611 XGMXOSUBKXGTGP-AWEZNQCLSA-N 319.321 0.384 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(=O)n(CCO)c1 592893586 OBZIFXIMFQFPFV-UHFFFAOYSA-N 321.293 -0.026 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)N1 599096943 CEQVLGMUJQLIPW-OCAPTIKFSA-N 303.344 -0.301 5 10 DBBE Nc1ccc(N2CCC[C@H](S(N)(=O)=O)C2)nc1[N+](=O)[O-] 707422272 DFQFTQBKQNTKKX-ZETCQYMHSA-N 301.328 -0.171 5 10 DBBE CCN1C[C@@H](Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)OC1=O 848429304 OYWRXQNUPWKLRE-QMMMGPOBSA-N 310.266 -0.304 5 10 DBBE CNC(=O)NC[C@@H]1CN(c2ccnc(O)c2[N+](=O)[O-])CCO1 1118863966 ILKSFVHDDLVKCN-MRVPVSSYSA-N 311.298 -0.170 5 10 DBBE CN(CCNCc1nc(N(C)C)no1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1267371597 MWUVRTDPEUSAMI-RKDXNWHRSA-N 312.330 -0.651 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nonc1C 1296300924 NJIBWVBXSZLOHN-RKDXNWHRSA-N 311.298 -0.378 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCC(F)(F)[C@H]1O 1299286635 ZFIFOHJZEXOUJV-SVRRBLITSA-N 305.241 -0.149 5 10 DBBE O=C(C[C@H]1CCCS1(=O)=O)NCCn1cc([N+](=O)[O-])cn1 1445741039 JPIPJFMAYUUFJJ-SNVBAGLBSA-N 316.339 -0.125 5 10 DBBE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] 1465288138 QITMQOCYXHUERK-BQBZGAKWSA-N 302.312 -0.035 5 10 DBBE COc1ncccc1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1580984177 BVJTWWJIWFCTQF-GHMZBOCLSA-N 322.321 -0.056 5 10 DBBE C[C@@H]1C[C@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])CCS1(=O)=O 2143969071 DGMDEYXXHGLOEX-RNFRBKRXSA-N 301.328 -0.403 5 10 DBBE N[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 2144798513 JGNWGDJYBSGSEA-SECBINFHSA-N 303.296 -0.325 5 10 DBBE CN(C)S(=O)(=O)C1CN(c2ncnc(N)c2[N+](=O)[O-])C1 2187305912 RWGZFHJXEPZQNB-UHFFFAOYSA-N 302.316 -0.953 5 10 DBBE CO[C@H]1CNC[C@H]1S(=O)(=O)Nc1ncccc1[N+](=O)[O-] 2202433280 FSMVTYXKMFCGPZ-DTWKUNHWSA-N 302.312 -0.282 5 10 DBBE N[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccn2)CCS(=O)(=O)C1 2202441866 OPYPGPYJXFQVRN-JTQLQIEISA-N 300.296 -0.556 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1NCc1ccc([N+](=O)[O-])cn1 2207465483 RKYOBDQKSYOKPP-WDEREUQCSA-N 301.324 -0.109 5 10 DBBE Nc1cc(S(=O)(=O)N2CCS(=O)CC2)ccc1[N+](=O)[O-] 132126325 WZWZLLHSNPUENO-UHFFFAOYSA-N 319.364 -0.070 5 10 DBBE O=C1NC(=O)[C@@]2(CCCN(CCn3ccc([N+](=O)[O-])n3)C2)N1 192679121 JHLURLLEXXANAL-LBPRGKRZSA-N 308.298 -0.535 5 10 DBBE O=C(NCCNC(=S)NCCO)c1ccc([N+](=O)[O-])cc1 586403066 MOYNSSINPLDYSM-UHFFFAOYSA-N 312.351 -0.219 5 10 DBBE CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1=O 593250784 IZKFUMHRFAPJLM-UHFFFAOYSA-N 309.326 -0.231 5 10 DBBE O=C(O)C1(O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 706483552 LDNCLTINLKUJCP-UHFFFAOYSA-N 302.264 -0.585 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3NCCO[C@@H]3C2)cc1 725374383 KJQKVBYUNYMSHT-VXGBXAGGSA-N 313.335 -0.044 5 10 DBBE O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCNC1=O 1118614691 JFYWLBFSJFBECR-NSHDSACASA-N 320.305 -0.742 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NCCCN2CCNC(=O)C2)n1 1183030252 OVLNHWUMRROTGI-UHFFFAOYSA-N 321.337 -0.150 5 10 DBBE C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1CCO 1296778587 FPFGNZBHOPSGTD-LLVKDONJSA-N 324.337 -0.719 5 10 DBBE CN(CCCCO)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1323618252 XMGZWVXPMLXXQT-UHFFFAOYSA-N 313.314 -0.862 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC(=O)N(CC2CC2)C1 1462434654 GZHFABBMVZODFV-JTQLQIEISA-N 307.310 -0.082 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC(=O)CCN1CCCS1(=O)=O 1518079074 FYAXASMITUUZBK-UHFFFAOYSA-N 317.327 -0.308 5 10 DBBE CN(CCCNC(=O)c1ncn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1577006847 HMIQZMOLHIHGRQ-RKDXNWHRSA-N 310.314 -0.941 5 10 DBBE CS(=O)(=O)C[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1624860525 QQXDUASWOFEOCJ-ZETCQYMHSA-N 302.312 -0.175 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](C3OCCO3)C2)c1 1644537020 XAUCNUYZWDNTPB-PWSUYJOCSA-N 312.326 -0.153 5 10 DBBE O=C(Cc1ccc[nH]1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705270091 YRALOZDOJBHCSW-GHMZBOCLSA-N 306.322 -0.013 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@](C)(N)CO 2181131008 ZVVDPIZRIXZNAS-NSHDSACASA-N 303.340 -0.109 5 10 DBBE Cc1nc(NS(=O)(=O)N(C)CC(=O)O)ccc1[N+](=O)[O-] 2233129423 DLICCDPUCUYVGJ-UHFFFAOYSA-N 304.284 -0.029 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](N)[C@@H](C)O 80739081 DJHYJRAEFSUQGM-SCZZXKLOSA-N 303.340 -0.110 5 10 DBBE C[C@@H]1CN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CCN1CCO 445219229 XPKVUIJRTWJZQW-SECBINFHSA-N 310.310 -0.166 5 10 DBBE C[C@@H]1C[C@@H]1N1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O 562992999 ZVXNGNYSORTJPO-WFFHOREQSA-N 323.353 -0.249 5 10 DBBE CN(C)CCCN(C)CCNC(=O)c1nn(C)cc1[N+](=O)[O-] 597989601 GSWZOYDXFRQMLD-UHFFFAOYSA-N 312.374 -0.058 5 10 DBBE CNS(=O)(=O)C[C@H]1CCCN1c1nn(C)cc1[N+](=O)[O-] 1185543838 MFKLCYRBEPLCIS-MRVPVSSYSA-N 303.344 -0.154 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(CO)COC2)nc1 1327290712 GFKRVKIZNWMXTE-UHFFFAOYSA-N 303.296 -0.723 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(N2CC[C@@H](O)C2)CC1 1330970728 NOWIFGBKBBLOIY-SNVBAGLBSA-N 309.326 -0.011 5 10 DBBE C[C@H]1COCCN1CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 1472973307 UZEHGONYZPVATB-VIFPVBQESA-N 310.310 -0.424 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnnc(O)c1 1759001318 JGEKSYRBAYYNMB-NXEZZACHSA-N 323.309 -0.574 5 10 DBBE CS(=O)(=O)NC1CN(Cc2cc(N)ccc2[N+](=O)[O-])C1 2150357527 WJJGCYIKGPFDKC-UHFFFAOYSA-N 300.340 -0.090 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNCCOC2)cc1 2152193725 CMCVIMWQUPQJNY-VIFPVBQESA-N 301.324 -0.139 5 10 DBBE Cc1ccc([N+](=O)[O-])c(C(=O)NCCNS(N)(=O)=O)c1 2157537349 PFIXQHQLLYIWGS-UHFFFAOYSA-N 302.312 -0.574 5 10 DBBE CCS(=O)(=O)NC1CN(c2nccc(N)c2[N+](=O)[O-])C1 2165630698 NXWPBGNPHAQVDW-UHFFFAOYSA-N 301.328 -0.300 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2CCN(S(C)(=O)=O)CC2)n1 2196048443 SZTDXFLIAZXOPH-UHFFFAOYSA-N 303.344 -0.595 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCNC(=O)C2)c([N+](=O)[O-])c1 50649837 SUVDDQYFJACEPO-UHFFFAOYSA-N 300.296 -0.703 5 10 DBBE O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc(=O)[nH]c(=O)[nH]1 59487311 MSEIQXKGMNRESR-UHFFFAOYSA-N 302.202 -0.228 5 10 DBBE C[C@H](CC[S@@](C)=O)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 230092199 VJAFQYRDDOCECQ-GYKIULCDSA-N 304.372 -0.101 5 10 DBBE CN(C(CO)CO)S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 313706689 TVXCEFDJHSRSNL-UHFFFAOYSA-N 305.312 -0.849 5 10 DBBE O=C([C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCOCC1 363280515 OEJZVCYFOQLABB-IJLUTSLNSA-N 311.338 -0.251 5 10 DBBE O=C(C[S@@](=O)C[C@H](O)CO)Nc1cccc([N+](=O)[O-])c1 526883485 CJISODXOJZEHQT-SBKAZYGRSA-N 302.308 -0.365 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 593097727 QINAKHYTPGXQEU-HSKLYWHBSA-N 300.340 -0.643 5 10 DBBE CN1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593560332 DPBSVZOUDLJCKO-SECBINFHSA-N 314.323 -0.111 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CN2CCCN1CC2 619873505 JNXQOLPSBUBQAD-GFCCVEGCSA-N 322.369 -0.313 5 10 DBBE Nc1cc(S(=O)(=O)N[C@H]2CCNC2=O)ccc1[N+](=O)[O-] 693959228 IOVPPGFWPZGUIN-QMMMGPOBSA-N 300.296 -0.656 5 10 DBBE O=C(O)[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CN1 725374157 IQLHLVLQJURSHW-SFYZADRCSA-N 315.307 -0.312 5 10 DBBE CN1CC[C@@H](C(=O)OCCn2cc([N+](=O)[O-])cn2)S1(=O)=O 830158425 PXRIKFWWMBKBMK-VIFPVBQESA-N 318.311 -0.632 5 10 DBBE CON(C)C(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 849400797 YQXPNYPBRJMGOV-UHFFFAOYSA-N 304.284 -0.712 5 10 DBBE O=C1NC(=O)[C@H]2CN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C[C@@H]12 1298209907 ACIDCFGZEJBCPI-ZXZARUISSA-N 313.657 -0.684 5 10 DBBE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 1469186478 LVPFRDZODPIOKM-JTQLQIEISA-N 324.293 -0.183 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@@H](O)[C@H](CO)C1 1626172419 RJZXGCMTWPWAJH-QPUJVOFHSA-N 314.269 -0.076 5 10 DBBE COC(=O)[C@@H](CC1OCCO1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 1636307514 HHFYMMRSFGQMHQ-MRVPVSSYSA-N 313.266 -0.043 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(Cc2nnnn2C2CC2)CC1 1688695723 HNOWHWZDSJANGW-GHMZBOCLSA-N 321.341 -0.683 5 10 DBBE Cc1cnn(C)c1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1738505826 WCPNCGVFKAICJI-ANDSXOESSA-N 321.337 -0.204 5 10 DBBE CN1CCN(C(=O)CCC(=O)N(C)c2n[nH]cc2[N+](=O)[O-])CC1 1851125303 FFZGMRBDAZQDFD-UHFFFAOYSA-N 324.341 -0.165 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)C2COC2)cn1 1915689786 NMXSIHSEIQRKHP-UHFFFAOYSA-N 303.296 -0.628 5 10 DBBE O=C(O)[C@@H](O)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 1940166269 XIIAMXOQFDPRKE-LURJTMIESA-N 307.056 -0.036 5 10 DBBE CC(C)S(=O)(=O)C[C@H](C)N=c1[nH]c(=N)[nH]cc1[N+](=O)[O-] 2170566514 BUSOKAYFQUTGRL-ZETCQYMHSA-N 303.344 -0.157 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2174119644 RSCVPJMBAACUOT-POYBYMJQSA-N 308.287 -0.246 5 10 DBBE CN1CCN(Cc2cccc(NN)c2[N+](=O)[O-])S1(=O)=O 2236891105 BEEFFIUKFVLOIG-UHFFFAOYSA-N 301.328 -0.127 5 10 DBBE CC(C)(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN)C(N)=O 45110446 GOTNXAYPKGQGBQ-UHFFFAOYSA-N 317.327 -0.577 5 10 DBBE CN(CCNS(C)(=O)=O)c1ccc2ncc([N+](=O)[O-])n2n1 302005546 STIPMUAUAHORPE-UHFFFAOYSA-N 314.327 -0.377 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1COC[C@@H]1O 323504243 OZGXLXRTWYZMBN-YUMQZZPRSA-N 306.271 -0.228 5 10 DBBE CCN1CC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O 619800938 XHKYJLDZDNZGTC-JTQLQIEISA-N 310.314 -0.289 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC[C@H]2O)cc1F 699919861 XEOMURBFFXXVGN-PSASIEDQSA-N 305.287 -0.655 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(N2CCCC2=O)C1 1157019826 IYWJBJTZBHBWKT-UHFFFAOYSA-N 320.305 -0.410 5 10 DBBE CCn1ncc(CN(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1268238191 ZYXFWQOISRTOQD-VXGBXAGGSA-N 310.358 -0.147 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCO[C@@H]2COCC[C@@H]21 1289281695 BZEXDXBBEJWFRL-NWDGAFQWSA-N 323.305 -0.227 5 10 DBBE Cc1nnc(S)n1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] 1319729700 QDFFIBJEKGFOIA-UHFFFAOYSA-N 311.327 -0.053 5 10 DBBE COc1ccc(CC(=O)N2CC(O)(C(N)=O)C2)cc1[N+](=O)[O-] 1470771409 BOIBDIRIUXNZNM-UHFFFAOYSA-N 309.278 -0.796 5 10 DBBE CN(CCCNC(=O)c1nc[nH]n1)Cc1c([N+](=O)[O-])ncn1C 1490264599 QHVQBNABOBNDGH-UHFFFAOYSA-N 322.329 -0.302 5 10 DBBE Cc1nn(C)c(C(=O)N2CCS(=O)(=O)CCO2)c1[N+](=O)[O-] 1559044886 CVOJMWQXJIXDSV-UHFFFAOYSA-N 318.311 -0.561 5 10 DBBE O=C(COC1CCOCC1)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1686589626 WPLSJKKDQLJUKK-GHMZBOCLSA-N 315.326 -0.920 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1O[C@@H]1CS(=O)(=O)C[C@@H]1N 2177959809 UAQLTYZLNXBOOE-JGVFFNPUSA-N 304.328 -0.377 5 10 DBBE COCCS(=O)(=O)CCN=c1ccc(N)c([N+](=O)[O-])[nH]1 2204671762 VSHWISNKQJPLST-UHFFFAOYSA-N 304.328 -0.533 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNC(=O)[C@H](N)CP(C)(C)=O)n1 2360590391 KOQHNEMCBUGIDO-SSDOTTSWSA-N 303.259 -0.106 5 10 DBBE COc1cc2nc3n(N)c(=O)c(C)nn3c(=O)c2cc1OC 82720845 PGIGIDUQXOMBAW-UHFFFAOYSA-N 303.278 -0.556 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Nc2[nH]c(=N)ccc2[N+](=O)[O-])C1 400134249 SDOLDROFXKIDSC-SSDOTTSWSA-N 301.328 -0.152 5 10 DBBE CNc1nccc(C(=O)N2CC3(CNC(=O)O3)C2)c1[N+](=O)[O-] 496459303 ZXGZWDCDYUSZBY-UHFFFAOYSA-N 307.266 -0.034 5 10 DBBE CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cn1 531887834 OIGCAHFOTWFQHR-GFCCVEGCSA-N 324.337 -0.245 5 10 DBBE NC(=O)c1cc(N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] 596296845 DXJWLLUTVTWTGN-WDEREUQCSA-N 306.322 -0.051 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CN2CCCN1CC2 619873592 PIOMWRWQVNVSIL-LLVKDONJSA-N 308.342 -0.703 5 10 DBBE CN(CCNC(=O)c1cnn[nH]1)Cc1c([N+](=O)[O-])ncn1C 1267205549 OLYWLTZXJHJOOY-UHFFFAOYSA-N 308.302 -0.692 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NCC(C)(C)C 1317448505 VCNWDHGOBLJYMC-GHMZBOCLSA-N 314.386 -0.138 5 10 DBBE O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CC(CO)C1 1322647034 VLNQUHWMDHIUNL-UHFFFAOYSA-N 307.306 -0.296 5 10 DBBE CNC(=O)CCCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1348136909 UPMMIPYYQXRVGX-UHFFFAOYSA-N 319.343 -0.525 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cnn[nH]1 1481251810 GBLSWHCHFFKEBT-UHFFFAOYSA-N 308.302 -0.692 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCO[C@@H](C)C1 1610963598 PYEOFLYEGRGWEG-JTQLQIEISA-N 311.342 -0.063 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)n1 1639934076 GORJKHRGTPSYOD-LBPRGKRZSA-N 322.281 -0.858 5 10 DBBE CONC(=O)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 1645954932 SSNLFFBUZICVTH-UHFFFAOYSA-N 311.250 -0.420 5 10 DBBE COC(=O)C[C@@H](O)CNC(=O)Cn1c([N+](=O)[O-])cnc1C 1648406946 ZTQQTOXDJQSVRV-MRVPVSSYSA-N 300.271 -0.860 5 10 DBBE Cc1c(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1737725721 ADYRZBUVGJLILI-MWLCHTKSSA-N 309.326 -0.418 5 10 DBBE C[C@@H](O)[C@H](NC(=O)c1cn2cc([N+](=O)[O-])ccc2n1)C(=O)O 1860400695 QIMORKWJUDCFKD-LDWIPMOCSA-N 308.250 -0.194 5 10 DBBE CO[C@@H]1COC[C@H]1n1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C 2146724173 IYUMGFXQBFPMAP-RNFRBKRXSA-N 306.300 -0.667 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1[C@H](C)C(=O)N(C)C 2156810040 OIDVEOXZDUTJGF-ZCFIWIBFSA-N 305.316 -0.604 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1C(=O)NCCNS(N)(=O)=O 2157537595 ROLGCAKRHBGMLQ-UHFFFAOYSA-N 302.312 -0.574 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(CO)CO 2179743145 MVQDBOLTHTYELS-UHFFFAOYSA-N 304.324 -0.218 5 10 DBBE C[C@](N)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2181130609 WPRDOTYHADPVJQ-SNVBAGLBSA-N 307.303 -0.278 5 10 DBBE C[C@H]1CNC(=O)CN1S(=O)(=O)c1cncc([N+](=O)[O-])c1 2181184059 SQFLPMHVSYCPTL-ZETCQYMHSA-N 300.296 -0.501 5 10 DBBE CO[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 2188221327 PCBZVTHYBACTRL-IONNQARKSA-N 302.312 -0.054 5 10 DBBE COCC[S@@](=O)CCN=c1[nH]c(=N)[nH]c(C)c1[N+](=O)[O-] 2207029910 QVNMZPOTUCPYGM-FQEVSTJZSA-N 303.344 -0.665 5 10 DBBE O=C(O)[C@H]1COC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 90364633 BXDZTGRULZEYEK-VHSXEESVSA-N 316.291 -0.027 5 10 DBBE CN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593547419 GMCWCIKTGPIWMV-SECBINFHSA-N 314.323 -0.159 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)OCCNS(C)(=O)=O)n1 755577462 YETFHXNFBJCDFU-UHFFFAOYSA-N 306.300 -0.483 5 10 DBBE CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 845854144 ZULJAALQXBDRPZ-UHFFFAOYSA-N 323.352 -0.345 5 10 DBBE C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C(=O)O1 845936260 WDTNXFXUXFXBSN-SVRRBLITSA-N 301.280 -0.028 5 10 DBBE CCN1CCN(C2CN(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)CC1 1347431450 BQWITZFWYBOBMY-UHFFFAOYSA-N 322.369 -0.210 5 10 DBBE COCCOCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1494186602 LNFUULVJBHUWFC-LMLFDSFASA-N 315.326 -0.922 5 10 DBBE Cc1cnc(N2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1655884237 KXSUYJLCGSTEDC-VIFPVBQESA-N 313.339 -0.363 5 10 DBBE O=C(Cc1cncnc1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1722069013 NMZCRVSFGVAJRF-GHMZBOCLSA-N 319.321 -0.551 5 10 DBBE Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 1722069277 YUSORYPCTMMMIE-PSASIEDQSA-N 307.310 -0.238 5 10 DBBE CN(CCNC(=O)[C@@H]1[C@H]2COC[C@H]21)Cc1c([N+](=O)[O-])ncn1C 1731781475 WBTGTSMTDDQASB-IAZYJMLFSA-N 323.353 -0.231 5 10 DBBE C[C@H](CS(N)(=O)=O)Nc1nccc(C(=O)O)c1[N+](=O)[O-] 2152938988 JMIRRTOHSWFASM-RXMQYKEDSA-N 304.284 -0.223 5 10 DBBE O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 84838576 NSXAVVXMDFQXHA-GHMZBOCLSA-N 317.367 -0.276 5 10 DBBE COc1c(OCC(N)=O)cc([N+](=O)[O-])cc1S(N)(=O)=O 215913668 LRJJOVIFCPWVJH-UHFFFAOYSA-N 305.268 -0.885 5 10 DBBE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 339408899 JXTNYGZQKBHAGI-NXEZZACHSA-N 322.321 -0.131 5 10 DBBE O=C(NCCC(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cn1 532397453 QPEMNOJUVLIQQD-UHFFFAOYSA-N 308.294 -0.032 5 10 DBBE CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593557838 SMRSPZWKTATJMH-MRVPVSSYSA-N 316.339 -0.008 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc([N+](=O)[O-])c(N)n1 697270018 MQTYPZFNEQPZIJ-XPUUQOCRSA-N 302.312 -0.204 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@@H]1C1OCCO1 726920336 BMTILPGZWWMDEK-SECBINFHSA-N 311.298 -0.060 5 10 DBBE CC(C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)S(C)(=O)=O 1116220114 AQDFOLDCCASRLU-UHFFFAOYSA-N 305.316 -0.874 5 10 DBBE CCOC(=O)CC1(NC(=O)Cn2cc([N+](=O)[O-])cn2)COC1 1179899995 RIFBCZVCONXWJT-UHFFFAOYSA-N 312.282 -0.370 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)n1 1324906116 GSRKMVQTWVKELD-SSDOTTSWSA-N 306.286 -0.139 5 10 DBBE CC(C)OCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1501056849 IIJRLSKDIUYSNR-GHMZBOCLSA-N 301.343 -0.007 5 10 DBBE NC(=O)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)O 1865985973 FRUDZPAUYQNSTH-VIFPVBQESA-N 310.266 -0.375 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCNC[C@@H]2F)cn1 2146551269 YYAMUHCSSMWDKK-DTWKUNHWSA-N 304.303 -0.032 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(N)COC1 2151411884 UITJQGHVROUSPC-UHFFFAOYSA-N 301.324 -0.091 5 10 DBBE CCN(CC)C(=O)Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156817947 QTVNCGYIIJBRNL-UHFFFAOYSA-N 305.316 -0.693 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@H](O)C[C@@H](O)C2)c1 2161390221 DWRNMYPYSMSLCO-RKDXNWHRSA-N 303.296 -0.894 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NCC(CO)CO)c1 2179744086 XSVYDUDDPCQAFY-UHFFFAOYSA-N 308.287 -0.387 5 10 DBBE Cc1nc(Cl)nc(O[C@H]2CS(=O)(=O)C[C@@H]2N)c1[N+](=O)[O-] 2184645910 HRIIJWLLSDTSAE-WDSKDSINSA-N 322.730 -0.150 5 10 DBBE O=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 50398182 YMZSRPUNTZBVAR-QMMMGPOBSA-N 315.307 -0.143 5 10 DBBE CCCn1cc([N+](=O)[O-])c(=O)n(C[C@H](O)CNCC)c1=O 111544552 KKCJRAJGWRCNRF-SECBINFHSA-N 300.315 -0.701 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126967272 CITBARMQXYHFTR-LURJTMIESA-N 302.312 -0.410 5 10 DBBE NS(=O)(=O)CCCNc1cc(C(=O)O)c([N+](=O)[O-])cn1 236290047 MIDQGEXMCWUCQM-UHFFFAOYSA-N 304.284 -0.222 5 10 DBBE C[C@H](O)CN(C)S(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 313716896 VKRZJMWHCDGWMT-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1Cc1cncn1C 401639416 GEWYFIIKAQMWLE-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE CC[C@@H]1C(=O)N(CC)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 426377548 IPXMIJBHIPDBNI-SECBINFHSA-N 310.314 -0.344 5 10 DBBE COC(=O)[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 426965382 PFZLLHQDTXVPCD-SECBINFHSA-N 311.298 -0.004 5 10 DBBE COCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1=O 536641352 WWXHWPMTQJDWBA-UHFFFAOYSA-N 308.294 -0.079 5 10 DBBE O=C(CN1CCN(C2CC2)C1=O)NCCn1cc([N+](=O)[O-])cn1 597409169 AEOWFFMHKAXCCG-UHFFFAOYSA-N 322.325 -0.193 5 10 DBBE NCC1(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)COC1 705640553 DPHCIYOYBPVBSD-UHFFFAOYSA-N 301.324 -0.258 5 10 DBBE COC[C@H](C)S(=O)(=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1116509589 WOCWKWMTJQVIGE-LURJTMIESA-N 306.300 -0.577 5 10 DBBE Cc1noc(CN2CCS(=O)(=O)C[C@H]2CCO)c1[N+](=O)[O-] 1176332735 BFLNEPGPSPHALS-SECBINFHSA-N 319.339 -0.127 5 10 DBBE O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)N1CCCC1 1349553560 LKBDDGLDCVEVNK-UHFFFAOYSA-N 314.323 -0.110 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CNC(N)=O)C2)n1 1624680262 WSYBIXPTBGZTFH-MRVPVSSYSA-N 310.314 -0.151 5 10 DBBE C[C@@]1(CO)C[C@H](O)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1645962441 XKTWCUSHAYPRBD-ZANVPECISA-N 311.294 -0.899 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCS(=O)(=O)CCO1 1648644487 JAKGMVDWQDLNIH-UHFFFAOYSA-N 304.328 -0.238 5 10 DBBE O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc[nH]1 1718210390 OLXQHWKGTQKSJV-MWLCHTKSSA-N 322.321 -0.627 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ncc[nH]1 1759059496 UYYSPESGJHGFDA-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE CNC(=O)OCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 2161175588 DZBVKFULVAFYOE-UHFFFAOYSA-N 324.340 -0.127 5 10 DBBE CCNS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 2175287263 AHJBKHIJUYUXBU-UHFFFAOYSA-N 323.352 -0.199 5 10 DBBE CON([C@@H]1CCNC1)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2176062122 GAKZPADKWXREIE-MRVPVSSYSA-N 302.312 -0.096 5 10 DBBE O=C(NCC1(CO)CNC1)c1cc([N+](=O)[O-])cnc1Cl 2201718091 PCPNGLYQZMPJJA-UHFFFAOYSA-N 300.702 -0.045 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@H]2N)n1 2239006173 IDUFFDLKNOOZHQ-APPZFPTMSA-N 304.328 -0.125 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Oc2[nH]c(=N)ccc2[N+](=O)[O-])C1 2285593172 DVBATEJNCXKZPJ-SSDOTTSWSA-N 302.312 -0.185 5 10 DBBE O=C(NCCN1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 23935606 VPUMCQYEOGRJRI-UHFFFAOYSA-N 322.321 -0.018 5 10 DBBE C[C@@H](O)[C@H](N)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 80754668 TWPIURHRCMUXST-HTRCEHHLSA-N 304.328 -0.638 5 10 DBBE C[C@@H](O)CNCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 132373836 UENVDXIEDGMQBP-MRVPVSSYSA-N 318.355 -0.376 5 10 DBBE COCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 216349658 CEQXEZVNXGPLQB-UHFFFAOYSA-N 304.328 -0.496 5 10 DBBE CC(C)(CNc1nc(NN)ncc1[N+](=O)[O-])S(C)(=O)=O 232519681 LEPOBJSEEWDCBO-UHFFFAOYSA-N 304.332 -0.095 5 10 DBBE CC(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C(C)(C)C1 341988173 BFRGKBLTFXWWKK-UHFFFAOYSA-N 310.314 -0.344 5 10 DBBE C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593565432 IFKKGDWELCCKAO-PSASIEDQSA-N 317.323 -0.240 5 10 DBBE CC(C)[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCN1 599358471 DQXXKZBHKVTPNK-VIFPVBQESA-N 317.371 -0.053 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2COCC[C@@H]2O)c1 710964705 XEOBCFQGFCHPJK-ZJUUUORDSA-N 303.296 -0.582 5 10 DBBE NC(=O)CC[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1115960438 SJEFQLBNYYXBNS-VIFPVBQESA-N 310.314 -0.310 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCn3ncnc3C2)n1 1118815518 LVAXWMMDEGBSIK-UHFFFAOYSA-N 313.299 -0.876 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H](CC(N)=O)C1 1118910565 JDFDAJVTXSRSHO-VIFPVBQESA-N 311.298 -0.797 5 10 DBBE CC(C)(C(=O)N1CC[C@H](O)[C@H](CO)C1)n1cc([N+](=O)[O-])cn1 1142379581 UXERVKCDHRWJAH-ONGXEEELSA-N 312.326 -0.272 5 10 DBBE CN(Cc1nncn1C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 1326778648 IYYOOBBXESQFTD-UHFFFAOYSA-N 312.311 -0.061 5 10 DBBE O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H](O)Cn1ccnn1 1570172114 KJGXEHOQMVDGFC-JTQLQIEISA-N 320.309 -0.225 5 10 DBBE O=C(CNC(=O)c1cc([N+](=O)[O-])n[nH]1)NCCN1CCCCC1 1636609559 PIRKDUJCAGKGDW-UHFFFAOYSA-N 324.341 -0.350 5 10 DBBE CNC(=O)NCCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 1643401610 RKIBBQNVZMQBIM-UHFFFAOYSA-N 324.293 -0.169 5 10 DBBE NS(=O)(=O)C1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 1655559334 QXJVMMOOOSUINF-UHFFFAOYSA-N 305.287 -0.297 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)c1N 1687462540 VQAPHTAUNNXOKM-PSASIEDQSA-N 324.341 -0.754 5 10 DBBE Cn1cc(CN(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)nn1 1689987455 SRYNJWAUDBFUIC-CHWSQXEVSA-N 322.369 -0.049 5 10 DBBE CN(CCNC(=O)Cn1cnnn1)Cc1ccc([N+](=O)[O-])cc1 1713445440 UISUCVCJNNPCNQ-UHFFFAOYSA-N 319.325 -0.171 5 10 DBBE C[S@@](=O)C1CN(S(=O)(=O)c2cccc(N)c2[N+](=O)[O-])C1 2171955597 AKIWZOJYSMGBNI-LJQANCHMSA-N 319.364 -0.072 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@H]1OCC[C@@H]1F 2179087088 GUGVCBBHLMTLRL-NKWVEPMBSA-N 308.291 -0.126 5 10 DBBE NS(=O)(=O)c1ccc(OCCN2CC([N+](=O)[O-])C2)cc1 2195453768 GOUIYMQQTJUZQT-UHFFFAOYSA-N 301.324 -0.326 5 10 DBBE O=C(O)[C@@H](Nc1ncc([N+](=O)[O-])cn1)C1CS(=O)(=O)C1 2197524387 IVJUSDMKNAVDHP-ZETCQYMHSA-N 302.268 -0.706 5 10 DBBE COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1csc([N+](=O)[O-])c1 2233875410 YDOOKJIHFGUTKE-MRTMQBJTSA-N 302.308 -0.151 5 10 DBBE CS(=O)(=O)C[C@H](N)C(=O)Nc1cc(Cl)ncc1[N+](=O)[O-] 2360520919 CDHYTVWBTAJUMF-YFKPBYRVSA-N 322.730 -0.046 5 10 DBBE Nc1sc(S(=O)(=O)NN2CCOCC2)cc1[N+](=O)[O-] 150118404 ACXPFQKMZJPIEW-UHFFFAOYSA-N 308.341 -0.236 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@H](O)C(N)=O)cc1[N+](=O)[O-] 227838973 UWJOCQPMNRMRFT-VIFPVBQESA-N 303.296 -0.972 5 10 DBBE NC(=O)COCCNC(=O)c1cc(Cl)ncc1[N+](=O)[O-] 228693350 NCPANDDJPNFBBZ-UHFFFAOYSA-N 302.674 -0.125 5 10 DBBE CN(CC(=O)NC[C@H]1CNC[C@@H]1O)c1ccccc1[N+](=O)[O-] 262129460 GHWDCYBCOLKJEW-MFKMUULPSA-N 308.338 -0.273 5 10 DBBE CC(C)(C(=O)N1CC[C@@H](NC(N)=O)C1)n1cc([N+](=O)[O-])cn1 342874768 AOIHOYBBIQXGEY-MRVPVSSYSA-N 310.314 -0.204 5 10 DBBE CN(C)CCN1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 347039606 SCIODISVRKCVFK-UHFFFAOYSA-N 310.358 -0.352 5 10 DBBE NC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCO1 595109759 NKKUTIMUACSIBZ-JTQLQIEISA-N 316.339 -0.272 5 10 DBBE O=C(NCCC(=O)N1CC(O)(CO)C1)c1ccc([N+](=O)[O-])cc1 597705134 IPGIEHYLFSHKIF-UHFFFAOYSA-N 323.305 -0.720 5 10 DBBE O=C(NC[C@@]1(OCCO)CCOC1)c1ccc([N+](=O)[O-])cn1 597993204 DIADNKACBLHCDR-ZDUSSCGKSA-N 311.294 -0.112 5 10 DBBE Cc1cc(OCC(=O)N2C[C@H](O)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] 600244374 YGZPMHQJVJVOPS-SKDRFNHKSA-N 323.305 -0.271 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnn(C)n1 1266043401 WUIVILTVXRSNRB-VXGBXAGGSA-N 310.358 -0.192 5 10 DBBE CN(CCCNC(=O)C(C)(C)C(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1351597848 XDQXSKXRWHNPJT-RKDXNWHRSA-N 314.342 -0.872 5 10 DBBE CNC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1463705916 LOYOBUYADSQPBK-UHFFFAOYSA-N 319.281 -0.612 5 10 DBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc([N+](=O)[O-])cn1 1616590324 YAYZEUXCRAEVLZ-SNVBAGLBSA-N 322.277 -0.554 5 10 DBBE CCc1nn(C)c(N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c1[N+](=O)[O-] 1643063306 BVTKOHLUJZXFFW-OCAPTIKFSA-N 307.310 -0.058 5 10 DBBE Cn1nccc1[C@H](O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 1652543378 YQCZHCQQWUSOAP-LLVKDONJSA-N 308.298 -0.235 5 10 DBBE CCN(CCCNC(=O)CNC(C)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758474766 YODDWJHXJWQILZ-GHMZBOCLSA-N 314.342 -0.858 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@]2(CF)CCNC2)cn1 2158305248 MCVFCSVCJGIFMY-JTQLQIEISA-N 304.303 -0.030 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1N 2179201759 KHKBXJFKVDJPED-GHMZBOCLSA-N 301.324 -0.059 5 10 DBBE CN=c1[nH]c(O[C@@H]2C[P@](C)(=O)C[C@H]2N)ncc1[N+](=O)[O-] 2184672693 IOWWFARMSHNQBG-WULHADROSA-N 301.243 -0.070 5 10 DBBE CS(=O)(=O)CC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccn1 2202442924 NAVUVXYTMHMZNI-QMMMGPOBSA-N 302.312 -0.310 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1Nc1ncnc(N)c1[N+](=O)[O-] 2207456842 FOQJZRQLNBPICM-WDSKDSINSA-N 303.300 -0.809 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Oc2ncc([N+](=O)[O-])c(=N)[nH]2)C1 2285596653 GTDXTQGBVMTZRQ-ZCFIWIBFSA-N 303.300 -0.790 5 10 DBBE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ncccc1[N+](=O)[O-] 2286052343 XVPDJUIBAQHRAF-LURJTMIESA-N 304.284 -0.768 5 10 DBBE Cn1cc([C@@H]2CNCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)cn1 181364802 VWUBALMGFJOSPQ-LBPRGKRZSA-N 319.325 -0.302 5 10 DBBE C[C@H](COc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-])C(N)=O 215814074 LVDSVEJXYMHQKA-RXMQYKEDSA-N 321.286 -0.119 5 10 DBBE CS(=O)(=O)[C@@H]1CSCCN1c1nc(N)ncc1[N+](=O)[O-] 235040933 XBPLISIZYAECAL-SSDOTTSWSA-N 319.368 -0.109 5 10 DBBE N[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)O 323334455 WMUKKVRVJFCCAN-SSDOTTSWSA-N 307.259 -0.576 5 10 DBBE CN1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCC1=O 594763203 XHIIKWURGVOJQA-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1(CCO)CNC1 598914008 UVWLWKFGWHRAPD-UHFFFAOYSA-N 308.294 -0.626 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@H](CN)C2)n1 599109083 RPZRYNRZMUZCRZ-JGVFFNPUSA-N 303.344 -0.266 5 10 DBBE CS(=O)(=O)NC1CN(Cc2ccc(N)c([N+](=O)[O-])c2)C1 703180343 XJVUPTBGFQMGBR-UHFFFAOYSA-N 300.340 -0.090 5 10 DBBE C[C@H]1CS(=O)(=O)C[C@H]1Nc1ncnc(NN)c1[N+](=O)[O-] 712254309 NSXZBSREKNQFOF-NTSWFWBYSA-N 302.316 -0.485 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@]2(F)CCOC2)n1 1329982588 BDYFQJQQMFNJCV-VIFPVBQESA-N 322.274 -0.738 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3O)C[C@@H]2C1=O 1559025508 ZPBDXCLHQPFKLV-DTORHVGOSA-N 320.261 -0.618 5 10 DBBE Cn1ccc(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1736928419 NCXBLBQPEQVYPD-GHMZBOCLSA-N 309.326 -0.750 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2cccc([N+](=O)[O-])c2O)C1 1914994922 ZRQRRSISFSGCKE-UHFFFAOYSA-N 301.280 -0.587 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCS[C@@H](C(=O)O)C1 2186550392 VZKNQWUWKBKVMI-SSDOTTSWSA-N 300.296 -0.030 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@@H]2CS(=O)(=O)C[C@H]2OC)[nH]1 2238916783 WWANSNGFVHWDSG-VXNVDRBHSA-N 304.328 -0.543 5 10 DBBE Cc1nn(C)c(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)c1[N+](=O)[O-] 347987911 YETZQDXLHGULSN-VHSXEESVSA-N 309.326 -0.208 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(COC3)C2)n1 599350036 NAQDOPSTLAZJJT-UHFFFAOYSA-N 302.312 -0.261 5 10 DBBE CONC(=O)C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1177097326 XAJFRNVZMBGXKD-UHFFFAOYSA-N 311.298 -0.142 5 10 DBBE CN1C(=O)CN(CC(=O)N(C)c2ccc([N+](=O)[O-])nc2)C1=O 1270303853 SILCXJGLOPAFFF-UHFFFAOYSA-N 307.266 -0.153 5 10 DBBE COCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1523593478 FDEQAHRZXIBEJJ-HBNTYKKESA-N 320.367 -0.296 5 10 DBBE CC(C)(CCC(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)[N+](=O)[O-] 1632876193 FVOHCRQXHPFDOD-OYBPUVFXSA-N 323.305 -0.209 5 10 DBBE CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(CCOCCO)CC1 1724005405 HKODMZRSJAHBHO-VXGBXAGGSA-N 315.370 -0.369 5 10 DBBE CC(=O)CCCC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1745946274 ZIFCANUBRDRVTN-VXGBXAGGSA-N 311.338 -0.015 5 10 DBBE CO[C@H]1C[C@@H]1NS(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 2188217833 CJTPMCKASULNDY-CBAPKCEASA-N 302.312 -0.054 5 10 DBBE Cc1cc(=N[C@H]2CNC[C@@H]2S(C)(=O)=O)c([N+](=O)[O-])c[nH]1 2192656427 KQEVLQHWTLFBCX-ONGXEEELSA-N 300.340 -0.483 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 2192676883 LTYPVNFENNIWBU-YUMQZZPRSA-N 302.312 -0.962 5 10 DBBE NNc1ccc([N+](=O)[O-])c(N2CC(CS(N)(=O)=O)C2)n1 2194437330 PYLUTAIBIABDOQ-UHFFFAOYSA-N 302.316 -1.000 5 10 DBBE O=[N+]([O-])c1cnc[nH]c1=NCCN1CCCCS1(=O)=O 2235290050 IQHHTMZCOJSPTQ-UHFFFAOYSA-N 301.328 -0.356 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1C(=O)NCCCS(N)(=O)=O 51095203 FHTMPGOVPJKYEM-UHFFFAOYSA-N 317.327 -0.711 5 10 DBBE NC(=O)CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)COC1 170270445 MRJKARZAFBAETN-UHFFFAOYSA-N 315.307 -0.483 5 10 DBBE O=C(NC1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1)C1CCC1 188493508 FVAUQYAYDKYSSB-UHFFFAOYSA-N 307.310 -0.082 5 10 DBBE COCC[C@H](CO)NS(=O)(=O)c1cncc([N+](=O)[O-])c1 312818499 SNDIXJRKVQZNGU-MRVPVSSYSA-N 305.312 -0.335 5 10 DBBE Nc1sc(S(=O)(=O)N[C@H]2COC[C@@H]2O)cc1[N+](=O)[O-] 323302179 OEGQXANULMOOMX-NJGYIYPDSA-N 309.325 -0.724 5 10 DBBE Nc1cc(S(=O)(=O)N[C@@H]2COC[C@H]2O)ccc1[N+](=O)[O-] 323434833 RHVYIQYZZIBIEK-PSASIEDQSA-N 303.296 -0.785 5 10 DBBE CNc1nccc(C(=O)N2CCO[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] 563408282 RLYZMXROGKXPEM-SCZZXKLOSA-N 310.310 0.253 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@](O)(CO)C2)nc1 593608449 SCCUJJTVAVCUIN-LLVKDONJSA-N 317.323 -0.502 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1nc(F)ncc1[N+](=O)[O-] 689012961 KUNHFLDHUYIBOA-FSPLSTOPSA-N 306.275 -0.252 5 10 DBBE O=c1nc(O)c([N+](=O)[O-])cn1CCS(=O)(=O)C(F)(F)F 694054134 PREIWBDNFNPLQT-UHFFFAOYSA-N 317.201 -0.208 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNC[C@H]2O)cc1 702789176 MDCPWNKFZNXMKJ-GZMMTYOYSA-N 301.324 -0.547 5 10 DBBE O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC(CO)(CO)C1 1455609518 FYEQIYROUSDQRF-UHFFFAOYSA-N 324.289 -0.207 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1ccnc1C 1581082348 KANCPSHZKDBNIM-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE Cc1nc([C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2cnn(C)c2)no1 1625177329 OSTMKDOHHMSIFA-OPRDCNLKSA-N 306.282 -0.018 5 10 DBBE C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CN(C)CCN1C 1628390585 VHIMNAGVPGRNHT-CABZTGNLSA-N 322.369 -0.064 5 10 DBBE C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCO 1872629837 WZPFGBNMRWFWCB-MRVPVSSYSA-N 317.323 -0.630 5 10 DBBE NCCN(CCN)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2152187213 PZKAHEJUIOVPMG-UHFFFAOYSA-N 304.328 -0.792 5 10 DBBE C[S@](=O)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2N)C1 2171956047 DKFUJLUKBDVCNJ-IBGZPJMESA-N 319.364 -0.072 5 10 DBBE O=Cc1cc(N[C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)c([N+](=O)[O-])s1 2177947429 FPOGBPHUBQGBMH-JBABRTIHSA-N 302.308 -0.017 5 10 DBBE COCC1(NS(=O)(=O)c2cncc([N+](=O)[O-])c2)CNC1 2190697694 HUHAZLSWWDZWBN-UHFFFAOYSA-N 302.312 -0.744 5 10 DBBE Cc1nn(C)c(N[C@H]2CNC[C@@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2192674183 BIXCIEAGIQEAMD-YUMQZZPRSA-N 303.344 -0.566 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=NCCCS(N)(=O)=O)[nH]1 2286727792 QWEQZFXHCLLCQL-UHFFFAOYSA-N 305.316 -0.956 5 10 DBBE NNc1cccc(S(=O)(=O)N2CC[C@@H](O)C2)c1[N+](=O)[O-] 126776300 NTAPWXHYVZFCCF-SSDOTTSWSA-N 302.312 -0.364 5 10 DBBE Cn1nnc(NS(=O)(=O)c2ccc(NN)c([N+](=O)[O-])c2)n1 127395188 IOSHGVAKPJFCQQ-UHFFFAOYSA-N 314.287 -0.795 5 10 DBBE CNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 216100056 HEGPMNNXCKYFLF-ZCFIWIBFSA-N 303.296 -0.245 5 10 DBBE C[C@@H]1C[C@@H]1N1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O 562992996 ZVXNGNYSORTJPO-AAXDQBDMSA-N 323.353 -0.249 5 10 DBBE COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](O)C[C@H]1C(N)=O 600241644 MLOYDTSJCUSRHX-SCZZXKLOSA-N 309.278 -0.336 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@]1(C(=O)O)CCCOC1 600878701 RFFDQIBYAULBIA-LBPRGKRZSA-N 312.282 -0.211 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N(C1CNC1)C1COC1 725373345 UFNFMBQNUKGQPE-UHFFFAOYSA-N 313.335 -0.044 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CN(C2CC2)C(=O)O1 847269780 MNLDWIDUNRNQQR-QMMMGPOBSA-N 310.270 -0.714 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)n1 1137984123 FQNHWCSTHJYFNZ-SNVBAGLBSA-N 322.321 -0.037 5 10 DBBE O=C1NCCO[C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]12 1152824117 WMYZJAXQISIAPW-PWSUYJOCSA-N 323.309 -0.703 5 10 DBBE CCC(=O)NCCN1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 1266279441 QHRWRJALUFSLAP-UHFFFAOYSA-N 324.385 -0.028 5 10 DBBE Cn1cc(C(=O)NCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cn1 1284722502 CPZIEBPJBGEIRE-VXGBXAGGSA-N 321.337 -0.194 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3C[C@@]3(CO)C2)n1 1328826658 BENNALJDJYTLTD-XVKPBYJWSA-N 302.312 -0.669 5 10 DBBE CN(C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1445284580 GSLJYVUGWGDBHD-HBNTYKKESA-N 319.383 -0.771 5 10 DBBE CN(CCNC(=O)CCc1nccn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496386102 GNXILUDUMOQXHD-GHMZBOCLSA-N 323.353 -0.408 5 10 DBBE O=C1NC[C@@H](O)CC12CN(c1nc3sccn3c1[N+](=O)[O-])C2 1559280476 HZSZHYZNFPRXRN-ZETCQYMHSA-N 323.334 -0.009 5 10 DBBE O=C1NC(=O)C2(CN(c3nc4sccn4c3[N+](=O)[O-])C2)N1 1613065468 DSFCPHVWACOZKX-UHFFFAOYSA-N 308.279 -0.298 5 10 DBBE COC(=O)C1(NS(=O)(=O)c2cncc([N+](=O)[O-])c2)CC1 1963985639 OPQDXZXKJKTDGY-UHFFFAOYSA-N 301.280 -0.026 5 10 DBBE Nc1cnc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCS1(=O)=O 2150729721 LPCAZCIXQHBALT-LURJTMIESA-N 300.296 -0.511 5 10 DBBE CNS(=O)(=O)c1ccc(N[C@@H](CN)CO)c([N+](=O)[O-])c1 2182584562 KBOAIHBJXFASNZ-ZETCQYMHSA-N 304.328 -0.766 5 10 DBBE O=C(NCC1(O)CS(=O)(=O)C1)c1cc([N+](=O)[O-])cs1 2267889696 KXCHLLILWDFSIL-UHFFFAOYSA-N 306.321 -0.454 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 136254415 XJGPCCGIBHUQGE-LURJTMIESA-N 302.312 -0.281 5 10 DBBE CN(CCCO)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 306020442 PZCMMBCUDBJVSR-UHFFFAOYSA-N 310.357 -0.055 5 10 DBBE O=C(O)C(F)(F)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 312636687 COEMDKSLXSFHMX-UHFFFAOYSA-N 311.222 -0.012 5 10 DBBE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 592878535 FKGWPUGYASPXCS-JTQLQIEISA-N 324.341 -0.630 5 10 DBBE CCN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593593026 PNWXUYRXMQJPSJ-VIFPVBQESA-N 314.323 -0.111 5 10 DBBE O=C(NC[C@H]1CNC[C@@H]1O)c1ccnc(Cl)c1[N+](=O)[O-] 702820220 UTZQXRROMSJKFS-SVRRBLITSA-N 300.702 -0.047 5 10 DBBE COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 815051690 XXQRNULTYBVZGO-ZETCQYMHSA-N 323.352 -0.223 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1C[C@@H]2CC[C@H](C1)O2 1468119630 SSNNOXLEWRKDSH-TXEJJXNPSA-N 309.326 -0.229 5 10 DBBE CS(=O)(=O)[C@H]1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 1583264285 VGGNXFFVOARDOJ-ZKCHVHJHSA-N 302.312 -0.517 5 10 DBBE COC(COCCNC(=O)c1cnc(N)c([N+](=O)[O-])c1)OC 1625382878 DZWPRZIHICRGSH-UHFFFAOYSA-N 314.298 -0.063 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC(S(C)(=O)=O)C2)n1 1626524100 ZSNCMUQBTRBVQA-UHFFFAOYSA-N 302.312 -0.320 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC(O)(CO)CC1 1632365670 ZDQGYTXCZXOQMV-UHFFFAOYSA-N 304.690 -0.069 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC(=O)N1CCCO1 1639082584 BEYGLNSDPZHOBZ-UHFFFAOYSA-N 310.266 -0.963 5 10 DBBE CCc1noc(CN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1681657667 MGKVHFDJSZDVQV-NXEZZACHSA-N 309.326 -0.059 5 10 DBBE CC(C)N(C)C(=O)CN(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1690940426 WYSGOKLCUPOUSM-GHMZBOCLSA-N 300.359 -0.434 5 10 DBBE C[C@@]1(O)CON(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N)C1 2149797992 YCVCBHYUGWXILR-JTQLQIEISA-N 303.296 -0.136 5 10 DBBE CN(C)c1nc(=NCCCS(C)(=O)=O)[nH]cc1[N+](=O)[O-] 2157673996 PHCOFDONLCYQKN-UHFFFAOYSA-N 303.344 -0.281 5 10 DBBE CCS(=O)(=O)CCN(C)c1ncc([N+](=O)[O-])c(=NC)[nH]1 2170436072 SEHYQOOVVWEUGH-UHFFFAOYSA-N 303.344 -0.281 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NCCCCCCS(N)(=O)=O 2364178562 QMISEMQOMDQBDL-UHFFFAOYSA-N 306.348 -0.594 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](O)CO 90281478 VEVHJGCIACAIJJ-MRVPVSSYSA-N 306.296 -0.765 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC(=O)NC(=O)C1 97270096 ZABFXCCHVITMNE-UHFFFAOYSA-N 313.291 -0.450 5 10 DBBE CN(C[C@H]1CNCCO1)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 126195806 XEFJOFBFFYOQEZ-SECBINFHSA-N 316.339 -0.401 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CN(C)CCO1 195456872 YLGCFDOHHDTIDO-LLVKDONJSA-N 311.342 -0.063 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 229363742 OEODKNNTZJQTHV-ZETCQYMHSA-N 300.296 -0.656 5 10 DBBE CC(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 268721618 VYDCVNBGBAOHCN-MFKMUULPSA-N 311.342 -0.295 5 10 DBBE CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593525941 OUGGRJLNDAMQGH-ZETCQYMHSA-N 302.312 -0.207 5 10 DBBE CN([C@H](CN)C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599109212 UOBFKUQFPVJJJI-MRVPVSSYSA-N 303.344 -0.314 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H](O)[C@@H]1CCCO1 599391962 NSDGEGMNTWRXQM-BDAKNGLRSA-N 317.323 -0.192 5 10 DBBE NC1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCOCC1 599920463 JZBDUWOPLLIEQG-UHFFFAOYSA-N 312.330 -0.402 5 10 DBBE CCn1cc(S(=O)(=O)NCc2cn(C)nn2)c([N+](=O)[O-])n1 611934718 DSBQCFFDWODJOJ-UHFFFAOYSA-N 315.315 -0.582 5 10 DBBE CC(C)(Cn1cc([N+](=O)[O-])c(O)nc1=O)CS(C)(=O)=O 694060941 GPWLDPZPGCWHLU-UHFFFAOYSA-N 305.312 -0.072 5 10 DBBE O=C1NC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]12 725373264 PDXBXFSWQALLMA-DTWKUNHWSA-N 311.319 -0.039 5 10 DBBE O=C(NCC12COCCN1CCOC2)c1cc([N+](=O)[O-])n[nH]1 1168938975 NIXPYESHTIJAPP-UHFFFAOYSA-N 311.298 -0.851 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCOC3=O)C2)n1 1329382650 GOCMWZZXTZKOOD-MRVPVSSYSA-N 309.282 -0.005 5 10 DBBE Cc1ncc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 1528520607 RNRSSDPWSBGWRK-ZYHUDNBSSA-N 321.337 -0.053 5 10 DBBE Cc1c(CC(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1580827422 TXBKFQIKXPCNLI-VXGBXAGGSA-N 323.353 -0.489 5 10 DBBE CCNC(=O)CCC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688325883 TWPAEMMMNXVLLX-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE N=C(N)NCCC[C@@H](N)C(=O)Nc1c(O)cccc1[N+](=O)[O-] 1866115898 SOEVPNIQQSBTSM-SSDOTTSWSA-N 310.314 -0.171 5 10 DBBE CN(CCN(C)S(C)(=O)=O)c1[nH]c(=N)ccc1[N+](=O)[O-] 2146936076 VRQKGRCJBNHFDO-UHFFFAOYSA-N 303.344 -0.270 5 10 DBBE C[C@H](C[C@H]1CCCS1(=O)=O)N=c1nc([N+](=O)[O-])[nH]n1C 2159180610 MFFZILXTNZKYPY-HTQZYQBOSA-N 303.344 -0.087 5 10 DBBE CCNCc1cnn(C)c1S(=O)(=O)N1CC([N+](=O)[O-])C1 2191527810 AYVVXOPZNCFSOK-UHFFFAOYSA-N 303.344 -0.821 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289402920 TYQSNCBTKNTGRR-GKROBHDKSA-N 304.690 -0.812 5 10 DBBE O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCOCCO 52125832 ULXAYXRMSFZKHI-UHFFFAOYSA-N 316.291 -0.252 5 10 DBBE O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCCN1 87884906 FRDKXLJJQHIPJR-UHFFFAOYSA-N 300.296 -0.500 5 10 DBBE Cc1cc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)n(C)n1 160865024 BWCLDBBPESUXKX-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE CN(CC(=O)N1CCNCC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] 261848274 ZQSRXHQHCXYVMI-UHFFFAOYSA-N 321.337 -0.438 5 10 DBBE CNS(=O)(=O)c1ccc(OC[C@H](N)CO)c([N+](=O)[O-])c1 312358983 KWXUSCKNVJJVEW-SSDOTTSWSA-N 305.312 -0.799 5 10 DBBE NS(=O)(=O)[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 340251359 DUSUOTZKEHFDDO-SSDOTTSWSA-N 312.311 -0.495 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC(=O)N1C 593591720 LZVGROPBUWLVOX-QMMMGPOBSA-N 314.323 -0.159 5 10 DBBE C[C@H](Cn1cccn1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599216505 RJWJTZJITYQUIM-MRVPVSSYSA-N 314.327 -0.108 5 10 DBBE Cc1nn(C)cc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1298316740 VEVIEVOTMKEKCU-ISBNUJHVSA-N 321.337 -0.204 5 10 DBBE CN1CCN(CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1324636376 PRJMCERLEGTAJC-UHFFFAOYSA-N 310.358 -0.304 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NCCC1CS(=O)(=O)C1 1523190285 BJOGXVDQGWNPGW-UHFFFAOYSA-N 316.339 -0.268 5 10 DBBE CCc1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 1528109730 CIXNBPNCTUETHJ-MWLCHTKSSA-N 309.326 -0.175 5 10 DBBE O=C1NC(=O)[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3O)C[C@@H]12 1556694003 NIMGBNVCLQUVMV-DTORHVGOSA-N 305.246 -0.355 5 10 DBBE Cc1cc(O)nc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1 1631852314 SEHAVOITXZEDII-UHFFFAOYSA-N 319.277 -0.123 5 10 DBBE NS(=O)(=O)C1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 1638945687 PEHZMPGYVRCINT-UHFFFAOYSA-N 317.298 -0.224 5 10 DBBE CCn1cc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1721705559 CCQROOOWZTUODH-MWLCHTKSSA-N 324.341 -0.506 5 10 DBBE Cc1nccc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1747213437 DUCOZABAXIBHLX-IRSQKABVSA-N 319.321 -0.148 5 10 DBBE CCN(CCNC(=O)c1cccnn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759021633 GCOFUWIEEPOKEH-MWLCHTKSSA-N 307.310 -0.280 5 10 DBBE C[S@](=O)C1CN(S(=O)(=O)c2c(N)cccc2[N+](=O)[O-])C1 2171958052 XNNBLWHVFYFKNL-IBGZPJMESA-N 319.364 -0.072 5 10 DBBE C[C@@H]1[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 2182525078 YZKBZUHAEXBXQD-LDWIPMOCSA-N 302.312 -0.366 5 10 DBBE CO[C@H]1C[C@@H]1NS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 2188217726 BUINEXLVTFIIGO-CBAPKCEASA-N 302.312 -0.054 5 10 DBBE CCc1nn(C)c(OC2(CN)CS(=O)(=O)C2)c1[N+](=O)[O-] 2283039131 WOSUYJZPXSEILH-UHFFFAOYSA-N 304.328 -0.605 5 10 DBBE N[C@@H]1CCOCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2285278946 DIDUGKSMIPZNEQ-VIFPVBQESA-N 302.312 -0.314 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](N)[C@@H](C)O 80748911 FFKAWJLXFDXRNP-BDAKNGLRSA-N 303.340 -0.110 5 10 DBBE C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C)CN1CCO 416301017 URDDMUNGQWRRAB-GHMZBOCLSA-N 311.342 -0.295 5 10 DBBE COC[C@H](O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594767899 WXCMYIGDJGFMEK-MRVPVSSYSA-N 305.312 -0.335 5 10 DBBE CN(Cc1cnn(C)c1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599208028 ZAXVQDXDJVVSMJ-UHFFFAOYSA-N 314.327 -0.118 5 10 DBBE NNc1cc(N2CC[C@H](S(N)(=O)=O)C2)cc([N+](=O)[O-])c1 707418705 SWHJPEMYWXMLPM-JTQLQIEISA-N 301.328 -0.252 5 10 DBBE C[C@](O)(CO)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 798264684 SDKFVMJMUUWLHA-GXTWGEPZSA-N 323.305 -0.053 5 10 DBBE NC[C@@H]1CC(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)=NO1 852889664 PIYUDTOBORDJDQ-JTQLQIEISA-N 305.294 -0.022 5 10 DBBE Cn1cnc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 940751032 SIQGIFZFLAILDG-ZYHUDNBSSA-N 321.337 -0.240 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC(N3CCN(C)CC3)C2)n1 1156295609 ULVWEHUMDARGSI-UHFFFAOYSA-N 322.369 -0.117 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnnn1CC 1356050579 DRXPFNAOMHVXLK-NXEZZACHSA-N 324.341 -0.459 5 10 DBBE CCOC(=O)[C@H](COC)NC(=O)c1c([N+](=O)[O-])c(C)nn1C 1457996871 QLCHDSPNNJPUIG-QMMMGPOBSA-N 314.298 -0.055 5 10 DBBE NS(=O)(=O)C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 1460884283 YFCJQPJLLNLGBA-VIFPVBQESA-N 303.344 -0.598 5 10 DBBE O=[N+]([O-])c1ncccc1CN1CCN2[C@@H](CNS2(=O)=O)C1 1473822402 WEZYPRDKUDIYIV-JTQLQIEISA-N 313.339 -0.676 5 10 DBBE COCCN(CC(=O)OC)C(=O)Cn1c([N+](=O)[O-])cnc1C 1521572554 LFCNJWSPKVZSGW-UHFFFAOYSA-N 314.298 -0.252 5 10 DBBE NC(=O)[C@]12CCC[C@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1585374702 AFZROHXFILHNCL-ZANVPECISA-N 307.310 -0.095 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1587751689 DZXKFCKOJFUWMW-SECBINFHSA-N 307.310 -0.021 5 10 DBBE C[C@H]1CN(CCO)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 1639023470 JZONJZVSIOLBQA-NSHDSACASA-N 311.342 -0.294 5 10 DBBE Cc1nccnc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1716936386 MTYGMRMIZIKDFW-ZYHUDNBSSA-N 321.337 -0.887 5 10 DBBE CN(CCNC(=O)Cn1ncnn1)Cc1cccc([N+](=O)[O-])c1 1731771295 PCCARUVDABWXNF-UHFFFAOYSA-N 319.325 -0.171 5 10 DBBE O=C(NCC(O)(CO)CO)c1cc([N+](=O)[O-])cnc1Cl 1913800114 ANOBKCCQJQUCOI-UHFFFAOYSA-N 305.674 -0.911 5 10 DBBE NS(=O)(=O)C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1914969308 CIAQOBDIGIYCRT-UHFFFAOYSA-N 321.336 -0.744 5 10 DBBE NC(=O)[C@@H]1CCN1S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 2145609442 IEWCLSBONDMWHV-QMMMGPOBSA-N 300.296 -0.575 5 10 DBBE Nc1ccc(S(=O)(=O)N2C[C@H](F)[C@H](O)C2)cc1[N+](=O)[O-] 2149208237 SSPIINSGLQDWFA-OIBJUYFYSA-N 305.287 -0.120 5 10 DBBE Cn1cc([N+](=O)[O-])c(=N[C@H]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)[nH]1 2161135118 IYCFQUFRPGKZTL-BRPSZJMVSA-N 300.340 -0.015 5 10 DBBE Cn1ncc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)c1Cl 2168231618 MOQDPDXYKUGYPK-UHFFFAOYSA-N 320.718 -0.126 5 10 DBBE O=C(O)[C@@]1(N=c2cc[nH]cc2[N+](=O)[O-])CCS(=O)(=O)C1 2172193282 OUVRVKRZVPKPIR-SNVBAGLBSA-N 301.280 -0.535 5 10 DBBE C[P@]1(=O)C[C@@H](O)[C@@H](N=c2[nH]c(NN)ncc2[N+](=O)[O-])C1 2177954403 IUBKIQLTWPTTMP-DQDUFTIUSA-N 302.231 -0.760 5 10 DBBE Nc1c([N+](=O)[O-])ccc(O[C@H]2CS(=O)(=O)C[C@@H]2N)c1F 2184668808 CSQSMJKCDSEQHX-XNCJUZBTSA-N 305.287 -0.181 5 10 DBBE CNc1ncnc(N2CC(S(=O)(=O)NC)C2)c1[N+](=O)[O-] 2187307070 LKLYEUJQYMFJFW-UHFFFAOYSA-N 302.316 -0.836 5 10 DBBE NC(=O)C1CN(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1 2232797258 CDEICKQKYSVDJK-UHFFFAOYSA-N 303.271 -0.160 5 10 DBBE CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(N)=O 50656736 PCKXVOPJYKEWII-LURJTMIESA-N 302.312 -0.211 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1C(=O)CNC1=O 354408445 PKLQKLMIFPOMJU-UHFFFAOYSA-N 307.266 -0.420 5 10 DBBE C[C@@H]1OCC[C@@H]1N(CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 361585610 QFTBJJXGKDYKMH-DRZSPHRISA-N 314.342 -0.376 5 10 DBBE C[C@H]1CN(c2ncnc(N)c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O 400821814 FTMGFNSADCAEDP-KNVOCYPGSA-N 301.328 -0.021 5 10 DBBE O=C1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cn2)CCN1 534279450 FSYPXKJAOBDMDT-UHFFFAOYSA-N 307.310 -0.459 5 10 DBBE O=C1N[C@]2(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@H]3C[C@H]1[C@H]2C3 593100944 MEJLUBBTBKGVOD-HJUHTLPRSA-N 319.321 -0.178 5 10 DBBE NC(=O)[C@H]1C[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598631446 QYNGEQDAPOTIHI-DTORHVGOSA-N 322.325 -0.103 5 10 DBBE N[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCOC1 688510752 AHARDTHPMJRKOF-JTQLQIEISA-N 302.312 -0.614 5 10 DBBE CNC(=O)NC[C@H]1CN(Cn2cc([N+](=O)[O-])c(C)n2)CCO1 863286257 DRMZGZQSLVOPRP-JTQLQIEISA-N 312.330 -0.313 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](O)[C@H](CO)C1 1162035887 NSBRPAYZZVDONY-WDEREUQCSA-N 312.326 -0.308 5 10 DBBE O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@]1(CO)COCCN1 1171661670 FYWYSDOWRODZOO-CQSZACIVSA-N 324.337 -0.526 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCCS1(=O)=O 1320154605 UAFBGVDNWVZNNX-QMMMGPOBSA-N 317.327 -0.730 5 10 DBBE COC(=O)[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccnn1C 1326380041 FCFKRZFQYZURPR-SECBINFHSA-N 322.281 -0.294 5 10 DBBE O=C(CCn1cccn1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1522847757 YWJMUJRPVSFEDS-GHMZBOCLSA-N 309.326 -0.439 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N(CCO)CCOCCO)n1 1557709981 DAKATXKEOWWZLG-UHFFFAOYSA-N 316.314 -0.745 5 10 DBBE Cn1cc([C@H](CO)NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cn1 1633107392 LKIFBVUQYMOMRG-JTQLQIEISA-N 321.293 -0.660 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(=O)n(CCO)c1 1639774372 CFWHTTCCGAYXNU-UHFFFAOYSA-N 307.266 -0.265 5 10 DBBE O=C(Cc1cc[nH]n1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1705001557 IJSDUIBTWNLSAD-JLVKAVFRSA-N 307.310 -0.594 5 10 DBBE CNS(=O)(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])n1C 2151047328 MUHZAXXBSGCLCW-UHFFFAOYSA-N 304.328 -0.446 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl 2157548231 SSVXLHFSDSGWKX-UHFFFAOYSA-N 322.730 -0.229 5 10 DBBE CN=c1nc(N=[S@](C)(=O)CC2CNC2)c([N+](=O)[O-])c[nH]1 2173752070 WFFQQQMSYGIVSR-HXUWFJFHSA-N 300.344 -0.203 5 10 DBBE Nc1cc(N[C@H]2CS(=O)(=O)C[C@@H]2O)c(F)cc1[N+](=O)[O-] 2183885163 KGLCLMXDSLPRIG-WPRPVWTQSA-N 305.287 -0.114 5 10 DBBE CS(=O)(=O)CC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 37668486 RMIJGACGBSXBBU-NSHDSACASA-N 315.351 -0.027 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50654721 ZGVPETQFZIUWCL-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE NC(=O)[C@]1(O)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 276433370 KBZRXPMPYRKRPL-AWEZNQCLSA-N 322.321 -0.155 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CO)CC1 330503027 YJHUIHPIVWOXRD-UHFFFAOYSA-N 308.294 -0.425 5 10 DBBE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](O)C[C@H]1C(N)=O 599541396 IQNAFWMEFDZMIQ-FXAINCCUSA-N 322.321 -0.158 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nn[nH]n1 709762321 OKHQAXROOQDZMZ-UHFFFAOYSA-N 300.256 -0.083 5 10 DBBE CN(C)c1ccc(C(=O)NCC(=O)NCC(=O)O)cc1[N+](=O)[O-] 1866021818 ITRDEQKADNKVDZ-UHFFFAOYSA-N 324.293 -0.409 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2C[C@H]3CS(=O)(=O)C[C@H]3C2)n1 1966491413 JQHMROVCYNMFSF-DTORHVGOSA-N 300.340 -0.195 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CCOC[C@@H]1[C@H](O)CO 2146323389 LAPMMLCJNQZEEV-RNFRBKRXSA-N 304.690 -0.403 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NCC[C@@H](O)CO)c1 2182235461 WNFZOKOWVRKIHZ-MRVPVSSYSA-N 308.287 -0.245 5 10 DBBE CC(C)n1ncc([N+](=O)[O-])c1O[C@H]1CS(=O)(=O)C[C@@H]1N 2240592517 JWOAPYPCWZFMRZ-CBAPKCEASA-N 304.328 -0.125 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@@H]2CCC2=O)n1 2240653530 HUVFFRYDMVECHE-ZETCQYMHSA-N 302.312 -0.273 5 10 DBBE O=C(Nc1ccnc(Cl)c1[N+](=O)[O-])[C@H]1NC[C@@H](O)[C@H]1O 2357926942 UEFLWUIRCGWDPD-GKROBHDKSA-N 302.674 -0.725 5 10 DBBE CN=c1[nH]c(NN(C)S(=O)(=O)C2CC2)ncc1[N+](=O)[O-] 2365281568 MLHQYHKBJGFGDP-UHFFFAOYSA-N 302.316 -0.401 5 10 DBBE O=C(O)[C@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 95073804 LQDDQAPKZLWLLP-MRVPVSSYSA-N 316.295 -0.963 5 10 DBBE CN(C)C(=O)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCC1 113116175 SJNKMZIYSKBJHG-UHFFFAOYSA-N 324.341 -0.049 5 10 DBBE Nc1cccc(S(=O)(=O)NCCc2ncn[nH]2)c1[N+](=O)[O-] 127022671 IELMNXYCSWNNFT-UHFFFAOYSA-N 312.311 -0.184 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCOC1 161821919 FXOBDNXXBSEHOW-ZETCQYMHSA-N 302.312 -0.052 5 10 DBBE C[C@@H]1CC[C@@H](C(N)=O)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 247181780 BJKMKCXSQHTEAF-CKYFFXLPSA-N 311.342 -0.262 5 10 DBBE CS(=O)(=O)N1CC[C@H](Nc2ncnc(N)c2[N+](=O)[O-])C1 400137619 URLJTZKKEGFZLP-LURJTMIESA-N 302.316 -0.587 5 10 DBBE O=C(NCCCN1CCCS1(=O)=O)c1cc([N+](=O)[O-])n[nH]1 586768410 NFGNUOAOEGIPDF-UHFFFAOYSA-N 317.327 -0.527 5 10 DBBE C[C@@H](Cn1ccnc1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599219031 RAMCSZRPAKZOOW-QMMMGPOBSA-N 314.327 -0.108 5 10 DBBE O=C1NCC2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)O1 1585584838 RSIPVINXDMJAHO-UHFFFAOYSA-N 310.270 -0.713 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CCCNC1=O 1628279948 WDUKMQRGNLYMDN-VIFPVBQESA-N 308.294 -0.601 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(O)nn1 1758928850 CYFPLRVCSZEYDH-VXNVDRBHSA-N 309.282 -0.964 5 10 DBBE O=C(O)C1(n2cnc([N+](=O)[O-])n2)CC2(C1)CS(=O)(=O)C2 2152032589 HCPLMVUBXSDHTF-UHFFFAOYSA-N 302.268 -0.825 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2C[C@H](O)C[C@H]2O)c1 2164982207 SYLULFILMLREIA-FXBDTBDDSA-N 303.296 -0.848 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(O)n[nH]1 2199525560 QSMQRQBRBDNAHR-UHFFFAOYSA-N 300.256 -0.199 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1N=c1[nH]c(F)ncc1[N+](=O)[O-] 2207468616 CPUXHNWBJZHVDF-IYSWYEEDSA-N 306.275 -0.830 5 10 DBBE COCCNC(=O)c1cc([N+](=O)[O-])c(C)c(S(N)(=O)=O)c1 87892121 QXTBPHWRDUUDSM-UHFFFAOYSA-N 317.323 -0.073 5 10 DBBE O=C(O)[C@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 88376547 QLSIWFFOHMCECX-MRVPVSSYSA-N 317.279 -0.536 5 10 DBBE COC[C@@H](O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 230141166 FBPISOFZXQGYLZ-QMMMGPOBSA-N 305.312 -0.335 5 10 DBBE NC(=O)[C@@]1(O)CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 276674356 VGGOXDPAGDQKQS-CYBMUJFWSA-N 309.278 -0.578 5 10 DBBE CN(C[C@H](O)CN)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 313129061 DFOJAMLQGOFPGP-SSDOTTSWSA-N 305.312 -0.760 5 10 DBBE COC(=O)c1ccc(S(=O)(=O)NCCO)cc1[N+](=O)[O-] 416401224 IPVXSVQJWIPOKG-UHFFFAOYSA-N 304.280 -0.348 5 10 DBBE COC[C@](C)(CC(=O)OC)NC(=O)Cn1cnc([N+](=O)[O-])n1 487933945 WBUUPKQDSOHMJE-NSHDSACASA-N 315.286 -0.729 5 10 DBBE CCOC(=O)C[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])nc1C 590551892 AZFOBYDJFRSUBW-VIFPVBQESA-N 314.298 -0.470 5 10 DBBE C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599261345 ONXXPZTWYDHFQQ-HTQZYQBOSA-N 320.327 -0.901 5 10 DBBE COC(=O)[C@@](C)(NC(=O)[C@H]1CC(=O)N1)c1cccc([N+](=O)[O-])c1 600523127 MPPZEDNDSOENQM-YGRLFVJLSA-N 321.289 -0.012 5 10 DBBE C[C@H]1OCC[C@@]12CN(C(=O)Cn1cnc([N+](=O)[O-])n1)CCO2 1116874957 XENQIAMMZPDQPW-BXKDBHETSA-N 311.298 -0.407 5 10 DBBE CNC(=O)[C@H](O)CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 1161155226 DMEQMUDUXDNVCI-IJLUTSLNSA-N 307.306 -0.079 5 10 DBBE COC[C@@H](C)CC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1261816413 JYGNTFCRYCLJTP-ZETCQYMHSA-N 320.327 -0.194 5 10 DBBE CN(CCCNC(=O)c1cncnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1294036816 DOXUMZKTSNYGAT-GHMZBOCLSA-N 307.310 -0.280 5 10 DBBE CCN(CCNC(=O)c1cc[n+]([O-])cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1528737760 NAQLTTFKDBEYEG-VXGBXAGGSA-N 322.321 -0.437 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(CO)(CO)C1 1557690670 VMJKZSXPIXJZSE-GFCCVEGCSA-N 310.306 -0.169 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCS(=O)(=O)NC)n1 1625432285 AWBDZZHCZNDULW-UHFFFAOYSA-N 305.316 -0.910 5 10 DBBE CN(CC(C)(C)CNC(=O)c1nc[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1678014520 XILKLYCQBUOWQZ-RKDXNWHRSA-N 324.341 -0.316 5 10 DBBE COCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CNC1 2190699445 SIVBZFUMCVXFTP-UHFFFAOYSA-N 302.312 -0.744 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC(O)(CO)C2)cn1 2284567488 WNGMTDMMXWVYAS-UHFFFAOYSA-N 303.296 -0.846 5 10 DBBE CC(C)n1cc([N+](=O)[O-])cc1C(=O)NCCS(N)(=O)=O 40378292 ZUKIIQBXNZJIPN-UHFFFAOYSA-N 304.328 -0.005 5 10 DBBE C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 167715605 WVOOVHVXVPGKPE-RKDXNWHRSA-N 317.323 -0.240 5 10 DBBE NCCN1CCN(C(=O)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 170316839 CKQHPQUJEAWMBL-UHFFFAOYSA-N 321.337 -0.364 5 10 DBBE COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C=O)CCCN 170397992 ZTMNQNSFKHZMNI-UHFFFAOYSA-N 324.293 -0.124 5 10 DBBE CCOC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC12COC2 450567557 UFSLWIXVSBSBJU-QMMMGPOBSA-N 323.309 -0.017 5 10 DBBE C[C@H](O)CN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593595402 DLIMCTJMSMRFAF-QMMMGPOBSA-N 305.312 -0.646 5 10 DBBE Nc1nccc(C(=O)NC[C@H](O)CN2CCCCC2)c1[N+](=O)[O-] 594324434 RLGSEVDDZPCUHK-JTQLQIEISA-N 323.353 0.149 5 10 DBBE CN(C)C(=O)C1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594783341 DIINMOJLGWZTCF-UHFFFAOYSA-N 314.323 -0.111 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)[C@@H](O)CO 698921442 XENKIKDUDYXMEI-LDWIPMOCSA-N 308.287 -0.246 5 10 DBBE O=C(O)[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 725374084 GBWHYFHSOADYQP-VHSXEESVSA-N 315.307 -0.454 5 10 DBBE C[C@]1(C(N)=O)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1155365254 IDMGFDHHYRRGHO-ZDUSSCGKSA-N 308.294 -0.520 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1[C@H]2COC[C@H]21)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1298069782 KTUWTZRNAKYHJN-ZIQFBCGOSA-N 311.338 -0.539 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCN(CC(F)F)C1 1451657225 TZHSCXTXDOVGQX-SSDOTTSWSA-N 304.257 -0.358 5 10 DBBE N[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1615977148 HJMPVZBPULGHOM-RKDXNWHRSA-N 301.324 -0.011 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1(N(C)C)CCC1 1688325711 NKIRCRVBOYVKRL-GHMZBOCLSA-N 312.370 -0.290 5 10 DBBE C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCO 1872627840 JRCJIDVAOSCBAO-QMMMGPOBSA-N 317.323 -0.630 5 10 DBBE CN(C)c1nc(=NCC2CS(=O)(=O)C2)[nH]cc1[N+](=O)[O-] 2157678414 KXRGAEPDOCQNPP-UHFFFAOYSA-N 301.328 -0.671 5 10 DBBE COCC[C@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2233920151 DLUKQYKJIGSHGO-QMMMGPOBSA-N 304.328 -0.368 5 10 DBBE CO[C@H](CN)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2365426713 JIWUPEVEBQSXPP-SSDOTTSWSA-N 307.303 -0.014 5 10 DBBE C[C@H](O)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 20545781 IVRFKAUYGBXKDI-RCOVLWMOSA-N 304.280 -0.293 5 10 DBBE O=C1CN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CCCN1 87885026 FNUPKPALZPGYPQ-UHFFFAOYSA-N 315.307 -0.189 5 10 DBBE CSCCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331541370 LTYBHHPDSGSJAF-UHFFFAOYSA-N 308.341 -0.114 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)nc1 1348154533 REXBYOSNOXTRGC-IUCAKERBSA-N 317.323 -0.789 5 10 DBBE CN1C(=O)CN=C1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 1470597161 ZIVGRAYQTSOROL-UHFFFAOYSA-N 320.261 -0.076 5 10 DBBE Cn1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O 1499221675 RTLYVQSSBAZPLJ-VXGBXAGGSA-N 320.349 -0.211 5 10 DBBE O=C(O)[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CN1 1615977149 IQLHLVLQJURSHW-HTQZYQBOSA-N 315.307 -0.312 5 10 DBBE O=Cc1ccc(OCC(=O)N2C[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 1638814455 LUZIKSYNDRYBDV-PWSUYJOCSA-N 324.289 -0.402 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(c2nc[nH]n2)CC1 1646064199 AHEAFVNRFRCCKZ-UHFFFAOYSA-N 306.286 -0.289 5 10 DBBE CN(C[C@H]1CCS(=O)(=O)C1)c1nc(=N)[nH]cc1[N+](=O)[O-] 2148781979 IMUNPKQNICZZGT-SSDOTTSWSA-N 301.328 -0.332 5 10 DBBE O=[N+]([O-])c1cncc(Cl)c1N1CC2(C1)OC[C@@H](O)[C@@H]2O 2183728467 PXQIHGAPUKHYBF-SCZZXKLOSA-N 301.686 -0.046 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1CC2(C1)OC[C@@H](O)[C@H]2O 2183729734 XKZRGISBSQXBDK-VXNVDRBHSA-N 300.292 -0.397 5 10 DBBE C[C@]1(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CCNC1=O 2288920206 BSWKMERLXJWGSP-VIFPVBQESA-N 320.352 -0.205 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCS(=O)(=O)C1 51088910 JJDANBKCBMLHKD-ZETCQYMHSA-N 314.323 -0.203 5 10 DBBE NC(=O)CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 75242306 XAUHPVGCNZBPAX-VIFPVBQESA-N 309.278 -0.028 5 10 DBBE COc1c(C(=O)N2CC[C@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] 336865383 MMDQRECGSBKYHJ-CYBMUJFWSA-N 309.278 -0.334 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN3CCOC[C@H]3C2)c1 348767302 VZXHTUVSLYNUGQ-CHWSQXEVSA-N 311.342 -0.831 5 10 DBBE Nc1nccc(C(=O)N2CC(CN3CCOCC3)C2)c1[N+](=O)[O-] 597681443 BLDXNFBAIUVWQJ-UHFFFAOYSA-N 321.337 -0.024 5 10 DBBE CNC(=O)[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C 599266520 JCAIQBNAOKWQRW-QMMMGPOBSA-N 319.343 -0.623 5 10 DBBE COc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)cc1[N+](=O)[O-] 600240753 GBNFVXDIWQNODF-SCZZXKLOSA-N 309.278 -0.336 5 10 DBBE Nc1cc(C(=O)NCC2CS(=O)(=O)C2)c([N+](=O)[O-])cn1 701920257 BOSWSJIWSXDZDB-UHFFFAOYSA-N 300.296 -0.654 5 10 DBBE N[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 721846596 RFMNUNVMVIMCNK-GHMZBOCLSA-N 301.324 -0.011 5 10 DBBE O=C(CNS(=O)(=O)c1ncccc1[N+](=O)[O-])N1CCCC1 1261579201 BJHYIGJEKMYEGC-UHFFFAOYSA-N 314.323 -0.110 5 10 DBBE Cc1cc(CC(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 1298326741 YGWPZNMPTNETIO-JGLYPNHGSA-N 322.321 -0.021 5 10 DBBE CCn1ncc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1358659130 MSMYKRPHHGLEIO-PSASIEDQSA-N 322.325 -0.658 5 10 DBBE CN(C)CCn1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 1465879500 ZNDGCFXCPCTAMS-UHFFFAOYSA-N 321.341 -0.021 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](c2nn[nH]n2)C1 1558080091 ZUCYQGJQCBDPCN-QMMMGPOBSA-N 319.281 -0.714 5 10 DBBE Cc1nccn1CC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1577064633 FARBPZAKHMEVRI-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE CCN(CCNC(=O)c1cncnc1O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581118945 LMQAKFIDCUEQLF-PSASIEDQSA-N 323.309 -0.574 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnnn1C 1581373208 YPANYAKDIZSDDK-NXEZZACHSA-N 324.341 -0.551 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 1632871738 KSNIURGGXDJNBO-MWLCHTKSSA-N 323.309 -0.552 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1COC[C@H]1N 2149988309 NJUBGIYHPQRDGG-BDAKNGLRSA-N 301.324 -0.092 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1nn(C)cc1[N+](=O)[O-] 2159113262 PXUNAPLLOUNXJG-PSASIEDQSA-N 304.328 -0.770 5 10 DBBE Nc1cccc(S(=O)(=O)NN2CCOCC2)c1[N+](=O)[O-] 127056723 SOYLHIVPWYNRMM-UHFFFAOYSA-N 302.312 -0.298 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2COC[C@H]2O)ccc1O 323406161 VGWULVNYAKHLLT-GMSGAONNSA-N 304.280 -0.662 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN[C@H](C(N)=O)C2)c1 360143130 HDTSEYAXQWQUCH-VIFPVBQESA-N 308.294 -0.355 5 10 DBBE COc1ccc(C(=O)NCC(=O)NC2(CO)CC2)cc1[N+](=O)[O-] 360631391 ABWBGKNZOVHGBF-UHFFFAOYSA-N 323.305 -0.026 5 10 DBBE O=C(NC[C@@H]1CNC[C@@H]1O)c1ccnc(Cl)c1[N+](=O)[O-] 702820221 UTZQXRROMSJKFS-XPUUQOCRSA-N 300.702 -0.047 5 10 DBBE CO[C@@]1(CNc2c([N+](=O)[O-])ncn2C)CCS(=O)(=O)C1 721220740 XZCOVYKKDHQGCL-SNVBAGLBSA-N 304.328 -0.056 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cncn2C)n1 859163277 GNEFGFHVVXBQGX-UHFFFAOYSA-N 300.300 -0.460 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](O)C2(C)C)n1 1118873106 GYXYNBGJBBEVTG-MRVPVSSYSA-N 304.328 -0.138 5 10 DBBE NC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C(N)=O 1196092049 FZFJFOFUSQQFPK-DTORHVGOSA-N 310.285 -0.248 5 10 DBBE O=C(NCC1(O)CN(CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1271281934 MOCKIHFQBCWJRZ-NXEZZACHSA-N 319.308 -0.140 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3ncnc3C2)nc1 1326517165 YSNOOUSGKCWJFH-UHFFFAOYSA-N 310.295 -0.214 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3C[C@@]3(CO)C2)n1 1328826655 BENNALJDJYTLTD-XCBNKYQSSA-N 302.312 -0.669 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2c(O)ncnc2C1 1556191657 MPIXWZJALLGZCL-UHFFFAOYSA-N 304.266 -0.128 5 10 DBBE CN(CCCNCCN1CCCC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1670091340 XJFKOMPCCRJZOU-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE O=C(Cn1ccnc1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705262782 BJJKTQISRKLIDH-NXEZZACHSA-N 307.310 -0.687 5 10 DBBE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnnn1C 1724850026 FOVOYTUWVCVJGN-VXGBXAGGSA-N 310.358 -0.239 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC2(CO)CNC2)ccc1F 1918429949 PGHPHJSFKQVDFQ-UHFFFAOYSA-N 305.287 -0.654 5 10 DBBE O=C1NOC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2148983162 YBVMUPFHMLXRKV-ZCFIWIBFSA-N 321.698 -0.044 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N=[S@@]1(=O)CC[C@H](CN)C1 2186535116 NUYGGPQRKIZYLT-JLPJYYFKSA-N 301.328 -0.085 5 10 DBBE CCCNC(=O)CNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126927488 ULZWKQDEDUIWEP-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COC[C@@H]2O)cc1F 323522592 UNXIMJPSBSLAJZ-WPRPVWTQSA-N 306.271 -0.228 5 10 DBBE C[C@@](O)(CO)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598625963 VJCCQVWUZZCTIY-LBPRGKRZSA-N 313.314 -0.623 5 10 DBBE CN(C)S(=O)(=O)N1CC(Nc2ccc([N+](=O)[O-])nc2)C1 599181422 AIHHCXLXKHQJPJ-UHFFFAOYSA-N 301.328 -0.108 5 10 DBBE C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599299008 DBKJUOLBIKKHID-HTRCEHHLSA-N 317.327 -0.869 5 10 DBBE Cn1ccc(NC(=O)CNC(=O)Cn2cc([N+](=O)[O-])cn2)n1 619251947 VVLGTCUGWZBAFM-UHFFFAOYSA-N 307.270 -0.720 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@](C)(Cn1cccn1)C(N)=O 1134803196 CPECLHQYPKJUIY-ZDUSSCGKSA-N 320.309 -0.196 5 10 DBBE CNC(=O)CN(CC(=O)NC)C(=O)c1cc([N+](=O)[O-])ccc1C 1177017970 LUZRAFPLYILRDL-UHFFFAOYSA-N 322.321 -0.163 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCCOC[C@H]1CCOC1 1318658870 YRRKKIYDVDEGRU-SNVBAGLBSA-N 313.314 -0.254 5 10 DBBE CO[C@]1(C(=O)O)CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 1351730668 ZCGDAIKJHAHOGT-GFCCVEGCSA-N 312.282 -0.048 5 10 DBBE C[C@@]1(C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])NC(=O)NC1=O 1449354219 XBMNVJLRSQJYFP-LHGDZMGGSA-N 310.310 -0.369 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCc2nn[nH]c2C1 1465328856 XGHWHQMMUCHINB-UHFFFAOYSA-N 304.266 -0.541 5 10 DBBE NC(=O)CC1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1536702589 KCTGLEFARFFSKF-UHFFFAOYSA-N 308.294 -0.472 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)Cc1cccc([N+](=O)[O-])c1 1558636944 FUYGAIRNYUUSIX-LLVKDONJSA-N 316.335 -0.341 5 10 DBBE O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccoc1 1571878678 GUNCEGAZMMBQKP-GHMZBOCLSA-N 323.305 -0.362 5 10 DBBE CC1=NNC(=O)[C@@H]1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1627152472 GTTAWKWITVPBEM-SECBINFHSA-N 321.293 -0.615 5 10 DBBE CCC[C@H](O)[C@@H](CO)NC(=O)Cn1c([N+](=O)[O-])cnc1C 1637672716 VQELENMBYUJLCS-ZJUUUORDSA-N 300.315 -0.262 5 10 DBBE Cc1nn(C)c(N2CCO[C@@H](CS(C)(=O)=O)C2)c1[N+](=O)[O-] 1643248052 YUQRTWNKLBVGNM-SECBINFHSA-N 318.355 -0.113 5 10 DBBE CCn1ncc(CN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1688696061 ZHDOIZSPYZLWQX-VXGBXAGGSA-N 308.342 -0.393 5 10 DBBE CC(C)NC(=O)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1691782283 CQDDKAKPEODBQW-DDHJBXDOSA-N 312.370 -0.339 5 10 DBBE O=C(CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1)NCC1CC1 1713281530 MJGYQWGIACUHHO-DIACKHNESA-N 322.365 -0.776 5 10 DBBE CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(CCCS(C)(=O)=O)C1 1716740846 DWJXZDUOYZWHAZ-GHMZBOCLSA-N 319.383 -0.771 5 10 DBBE NC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC1 1861030613 XHRSPUBVAHZUCE-NSHDSACASA-N 320.305 -0.153 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CONC1=O 2148979884 CGFZXQRWOKHPPP-SSDOTTSWSA-N 301.280 -0.388 5 10 DBBE NC(=O)[C@H]1C[C@H](N)CN(c2ncnc(Cl)c2[N+](=O)[O-])C1 2162787038 JYIXPXVMABUBQG-WDSKDSINSA-N 300.706 -0.323 5 10 DBBE C[C@H](O)[C@H](CO)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2174118958 MKINQDVLEFJFJV-XPUUQOCRSA-N 308.287 -0.246 5 10 DBBE CS(=O)(=O)c1cccc(NC[C@@H](O)C(=O)O)c1[N+](=O)[O-] 2176866274 FHDJBNKYKWNJAW-SSDOTTSWSA-N 304.280 -0.144 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CS(=O)(=O)C[C@H]1O 2177814121 VHMSUWPZOGBINU-HTQZYQBOSA-N 304.328 -0.311 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1ccc([N+](=O)[O-])cc1N 2192675264 CXPNALLBTGCGNC-GHMZBOCLSA-N 300.340 -0.026 5 10 DBBE O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1NC[C@@H](O)[C@H]1O 2201149269 MDQQJMLWNFZFET-OPRDCNLKSA-N 301.686 -0.120 5 10 DBBE Cc1c([N+](=O)[O-])c(=NCC2(S(N)(=O)=O)CCC2)[nH]n1C 2207478869 TZVUYFKCRKXNQV-UHFFFAOYSA-N 303.344 -0.318 5 10 DBBE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1c1c(Cl)cncc1[N+](=O)[O-] 2357877610 HVMKRQMKGYGTDT-FTLITQJKSA-N 303.658 -0.362 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H](O)C(F)(F)F 267054869 ALGFMUJUQWIELW-ZETCQYMHSA-N 309.200 -0.204 5 10 DBBE Cc1cc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2=O)n(C)n1 369695963 PWUBQGMWBCLFIY-KXUCPTDWSA-N 307.310 -0.385 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(O)CCCC2)n1 599239871 TUAPDVSSXRRPOL-UHFFFAOYSA-N 304.328 -0.088 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)c(F)c1 611024489 YSIKSMUPOKCFSU-DTORHVGOSA-N 320.298 -0.150 5 10 DBBE Cc1cnc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 1272162597 QFNRXYAKWNAWJG-GHMZBOCLSA-N 312.326 -0.441 5 10 DBBE CONC(=O)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 1539084181 FVKVFHDBZRBELR-UHFFFAOYSA-N 311.250 -0.211 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC2CCS(=O)(=O)CC2)n1 1595985235 NRSQZXYNMBOFSE-UHFFFAOYSA-N 302.312 -0.365 5 10 DBBE Cn1cc(C[C@H](CO)CNC(=O)c2c([N+](=O)[O-])cnn2C)cn1 1627340733 YASNLOKFTKZFBR-JTQLQIEISA-N 322.325 -0.357 5 10 DBBE O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](O)Cn1ccnn1 1637560153 SFWAXTDAJVESQU-SNVBAGLBSA-N 321.293 -0.258 5 10 DBBE NS(=O)(=O)C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 1648035047 FZWYQQPGMDZQIK-SNVBAGLBSA-N 317.371 -0.066 5 10 DBBE Cn1cc(CN2CCC[C@@H]3OCCNC(=O)[C@@H]32)c([N+](=O)[O-])n1 1659904391 TXNHNLJTMPJMFU-WDEREUQCSA-N 309.326 -0.192 5 10 DBBE CN(C)CCC(=O)NCC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1713918385 XFFRYPZAGHHVQW-UHFFFAOYSA-N 324.385 -0.172 5 10 DBBE Cc1nonc1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1738360000 WJOAOGNCTJTXAT-RKDXNWHRSA-N 311.298 -0.426 5 10 DBBE O=C(NCCCN1CCN(C(=O)C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1744070008 FFKRKWMNCIUCFY-CHWSQXEVSA-N 324.381 -0.288 5 10 DBBE NCC1(O)CN(S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 2154727346 YVUKHYXYFIUGIW-UHFFFAOYSA-N 305.287 -0.572 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2C[C@@]23CCOC3)nc1[N+](=O)[O-] 2198343336 YUJAXDAMDHHTSU-OIBJUYFYSA-N 302.312 -0.135 5 10 DBBE O=C(O)[C@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131137383 DHHWBLZJTLPFIQ-QMMMGPOBSA-N 322.270 -0.152 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 159074507 IGLZHRGVKOKYIQ-SFHVURJKSA-N 307.353 -0.166 5 10 DBBE CN(C)C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 174786015 IOACDQJSZUVNLM-QWHCGFSZSA-N 313.358 -0.585 5 10 DBBE Cc1nc(N)nc(N2CCS(=O)(=O)C[C@H]2C)c1[N+](=O)[O-] 235293382 PBPNMNVXHPTRKY-ZCFIWIBFSA-N 301.328 -0.101 5 10 DBBE CNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cnc1C 440160595 FRDPUFATRHPYDP-UHFFFAOYSA-N 302.312 -0.423 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](O)C(F)(F)C1 598000289 HYDUOBOICDHXNT-VIFPVBQESA-N 317.248 -0.015 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3NCC[C@@H]3C2)n1 599108599 OREZKVWXWABPDI-BDAKNGLRSA-N 315.355 -0.299 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2CCO)n1 599281372 SKWGFIHQWNFVPU-MRVPVSSYSA-N 304.328 -0.136 5 10 DBBE C[C@H]1C[C@H](CO)CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599329754 QPSPANNKDDDXEK-IUCAKERBSA-N 318.355 -0.033 5 10 DBBE O=c1nc(O)c([N+](=O)[O-])cn1CC[C@H]1CCS(=O)(=O)C1 694132557 FUEKNBXRMFWCMO-ZETCQYMHSA-N 303.296 -0.318 5 10 DBBE NCC1(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)COC1 705642203 MVKISADPVQIQDL-UHFFFAOYSA-N 303.296 -0.694 5 10 DBBE CC(C)OC(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 858948174 NQGHYBMXRNRNAK-UHFFFAOYSA-N 306.300 -0.442 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](O)CS(C)(=O)=O)n1 1304258720 YYZGRLIKQGJBMA-SECBINFHSA-N 317.323 -0.566 5 10 DBBE O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(CO)C1 1342057008 VLIYSXXKGYOXIQ-UHFFFAOYSA-N 323.305 -0.460 5 10 DBBE CCC(=O)N1CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1622892355 WBBHIAQCTZHUPU-JTQLQIEISA-N 322.321 -0.116 5 10 DBBE Cc1nn(CCC(=O)NC2=NCC(=O)N2C)c(C)c1[N+](=O)[O-] 1634186802 NGOLDYNYTXEVQG-UHFFFAOYSA-N 308.298 -0.258 5 10 DBBE COC1(OC)CCOC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] 1641889279 MRWOTSDDFPDFEX-QMMMGPOBSA-N 300.271 -0.174 5 10 DBBE NC[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2153167965 JGADBJTYDKQEOQ-MRVPVSSYSA-N 302.312 -0.662 5 10 DBBE NC[C@H]1COC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 2154118795 KYHNPCFMALVEEG-DTWKUNHWSA-N 301.324 -0.153 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C[C@H]2O)cn1 2164981106 QTOBEWHHXFQMSZ-FTLITQJKSA-N 303.296 -0.848 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CNC[C@@H]2O)c1 702791883 TVJCHGLLSVMXFO-KWQFWETISA-N 301.324 -0.547 5 10 DBBE N[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 721961773 MFGAPYUDONXCSU-RKDXNWHRSA-N 301.324 -0.011 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@]2(C)CCOC2=O)n1 859164509 JDWYEMCIECJXCO-SECBINFHSA-N 304.284 -0.688 5 10 DBBE CS(=O)(=O)NCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1157534088 NJCUEIBESSWVRT-NXEZZACHSA-N 305.356 -0.561 5 10 DBBE O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(O)COC1 1634313683 RUBJDHAMRZZSDR-VIFPVBQESA-N 308.294 -0.236 5 10 DBBE Cc1nc(N2CCS(=O)(=O)C[C@@H]2CCO)ncc1[N+](=O)[O-] 1643210135 RMIHSKVCSYVZFT-VIFPVBQESA-N 316.339 -0.321 5 10 DBBE Cn1cc(CN2CCS(=O)(=O)C[C@@H]2CCO)c([N+](=O)[O-])n1 1660258599 BCRQEZLRNARDDG-JTQLQIEISA-N 318.355 -0.690 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCC(=O)NCCO)c1 1859222689 IZIJVZJBZPMNJT-UHFFFAOYSA-N 311.294 -0.168 5 10 DBBE NNc1ccc([N+](=O)[O-])c(NC[C@H]2CCS(=O)(=O)N2)n1 2146209924 WYDWACRPZXOUSD-ZCFIWIBFSA-N 302.316 -0.621 5 10 DBBE COCCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 52719743 BDVHBWOORMVTOL-UHFFFAOYSA-N 323.353 -0.126 5 10 DBBE NS(=O)(=O)c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1 87893287 XIAIMCFAVNPAQV-UHFFFAOYSA-N 315.307 -0.285 5 10 DBBE C[C@H](O)[C@H](N)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 126846680 SSMUQFFMLCDLIM-POYBYMJQSA-N 307.303 -0.280 5 10 DBBE NS(=O)(=O)CCCNc1cnc([N+](=O)[O-])cc1C(=O)O 312199368 FIWINVHNSPRWCJ-UHFFFAOYSA-N 304.284 -0.222 5 10 DBBE COCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 490052930 IPTSUACKVGQXLB-WCQYABFASA-N 314.342 -0.111 5 10 DBBE CC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NC 599328646 CFCOCBNVVVCNHG-LURJTMIESA-N 305.316 -0.869 5 10 DBBE COc1cc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] 600240602 DCAHQPUAQIZJNO-SCZZXKLOSA-N 309.278 -0.336 5 10 DBBE CN1CCOC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 600422604 WAXPVAJPEXRNPJ-NSHDSACASA-N 311.342 -0.027 5 10 DBBE C[C@H](CS(C)(=O)=O)N(C)c1ncnc(NN)c1[N+](=O)[O-] 688531845 DCCYGFRGQXHTJC-ZCFIWIBFSA-N 304.332 -0.460 5 10 DBBE Cn1c(C(=O)N2CC[C@H](S(N)(=O)=O)C2)ccc1[N+](=O)[O-] 707433970 AVXSBTCBSDLZMT-ZETCQYMHSA-N 302.312 -0.564 5 10 DBBE CN(C)C[C@H](CO)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 716777768 HLKWSHGDCYBQTE-SECBINFHSA-N 303.340 -0.204 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCOC[C@@H]1C 1144613252 SNGCKJBIIQHDNY-JTQLQIEISA-N 311.342 -0.063 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@@H]2CC23CC3)n1 1329983966 ISUGEZLKKXSSSV-LURJTMIESA-N 300.296 -0.067 5 10 DBBE CN(C(=O)COCC1CC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1358719656 ZVTQRMQUTBTEHY-VXGBXAGGSA-N 311.338 -0.253 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 1633951306 AGRCKPBXQQUJAM-HTQZYQBOSA-N 314.323 -0.175 5 10 DBBE Nc1nccc(C(=O)N[C@H](CO)CN2CCCC2)c1[N+](=O)[O-] 1636961897 ABXBXPVPLSUGMS-VIFPVBQESA-N 309.326 -0.242 5 10 DBBE CN1C[C@H](O)[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)C1 2146527986 IOUPYYBQCQLXQJ-FSPLSTOPSA-N 322.368 -0.808 5 10 DBBE C[S@@](=O)(CCC(=O)O)=NC(=O)Cn1cc([N+](=O)[O-])cn1 2157204871 CAWZTSATHBARTJ-HXUWFJFHSA-N 304.284 -0.110 5 10 DBBE O=[N+]([O-])c1cnc(=NCCCNS(=O)(=O)C2CC2)[nH]c1 2158574482 PXURLKBNILBJFF-UHFFFAOYSA-N 301.328 -0.310 5 10 DBBE COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)N1CC(N)C1 2159024580 NOTLNNATMTYKJF-UHFFFAOYSA-N 302.312 -0.097 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CNCC[C@H]1O 2183272904 WSUBAQTUYZGGNB-PSASIEDQSA-N 301.324 -0.404 5 10 DBBE NC[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 2187585178 SVUCBXLEGMKWKJ-UWVGGRQHSA-N 301.324 -0.323 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@]2(CO)C[C@H](O)C2)cn1 2197290255 HHNWKSGRDFBLMT-WKFQBHICSA-N 303.296 -0.846 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC[C@H]2[C@H](O)CO)c1 2286222240 UKBSRYAQEARCJS-VHSXEESVSA-N 303.296 -0.894 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cn1)N1CCS(=O)(=O)CCN1 2295659966 BUSDSBNEMXXAMG-UHFFFAOYSA-N 300.296 -0.635 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC(=O)NC1 111024989 ZMFIVIQRSNFFQZ-SSDOTTSWSA-N 314.323 -0.266 5 10 DBBE Nc1cc(S(=O)(=O)NC[C@H]2COCCO2)ccc1[N+](=O)[O-] 132048466 GXTBJWFGTGEIIV-QMMMGPOBSA-N 317.323 -0.129 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 157575845 PMSBSUPHFJNGAM-BYPYZUCNSA-N 308.341 -0.349 5 10 DBBE CCNS(=O)(=O)CCNc1nc(NN)ccc1[N+](=O)[O-] 231021045 WAHILACAYDQLGO-UHFFFAOYSA-N 304.332 -0.373 5 10 DBBE CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1=O 593576813 UZMQDUUYJGTDHW-UHFFFAOYSA-N 314.323 -0.157 5 10 DBBE CN(C[C@@H](O)C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599266418 ONQWPONRVNRPPT-SECBINFHSA-N 304.328 -0.280 5 10 DBBE CN1CCN(CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1135847826 PQKWTVGBXHPECW-UHFFFAOYSA-N 308.342 -0.451 5 10 DBBE Cc1c[nH]c(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1298398387 YZJZTAPNPDJYTN-JAFKPYBISA-N 307.310 -0.214 5 10 DBBE O=C(CN1CCCC1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1583311128 QAZRGAMBGLAWHN-JZIZGNRHSA-N 310.354 -0.464 5 10 DBBE Cn1cc(CN2CCC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])n1 1647910704 PROFXLHXPUUXNF-JTQLQIEISA-N 317.371 -0.158 5 10 DBBE CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)COCC2CC2)C1 1689651442 STFHNOLEHGJKFO-VXGBXAGGSA-N 311.338 -0.253 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ccnn1C 1703579107 UALKKSLZGCRYIG-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE CC(C)N(C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705272261 WGDSVGAGUIASTJ-GHMZBOCLSA-N 312.370 -0.243 5 10 DBBE Cc1cnc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1759888565 UDTQIYRAOXPFAI-MWLCHTKSSA-N 319.321 -0.171 5 10 DBBE Cc1nc(NN)nc(N(C)CCS(C)(=O)=O)c1[N+](=O)[O-] 234265687 SRPXIJCABNWYQH-UHFFFAOYSA-N 304.332 -0.540 5 10 DBBE CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 709288318 CVQQWZGBRMUTBF-RKDXNWHRSA-N 303.296 -0.630 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)OCCCN2C(=O)CNC2=O)n1 772056059 BBZCMIBBLKHREA-UHFFFAOYSA-N 311.254 -0.573 5 10 DBBE CC[S@](=O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 858968200 LNANRTSMPKAPQV-SFHVURJKSA-N 310.357 -0.625 5 10 DBBE Cc1cc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1 1285366663 ITOVYGWHUDTXMA-VXGBXAGGSA-N 321.337 -0.019 5 10 DBBE COc1cc([N+](=O)[O-])cnc1NC(=O)CN1CCOCC1=O 1438802249 XGPSDAYRFYTKDN-UHFFFAOYSA-N 310.266 -0.204 5 10 DBBE CC(=O)NC1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1534678690 GROSJLQMLKIQSS-UHFFFAOYSA-N 310.314 -0.250 5 10 DBBE O=C(N[C@@H]1C[C@H](O)[C@H](O)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 1596717425 ODKYIAVQBMWPDH-FJPPDTINSA-N 324.289 -0.020 5 10 DBBE CNC(=O)[C@@H]1CCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1630803059 CHAMSICBJNOWFN-NXEZZACHSA-N 322.321 -0.213 5 10 DBBE NC(=O)[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C(N)=O 1651240396 JFJLSAIRHNBNMV-KNVOCYPGSA-N 314.248 -0.104 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnsn1 1738460145 YVDGVLBXHDQJNW-NRGCHRPYSA-N 311.323 -0.395 5 10 DBBE N=c1[nH]cc([N+](=O)[O-])c(=NCCN=S2(=O)CCCC2)[nH]1 1913890410 RFFUGTDMSWBPRF-UHFFFAOYSA-N 300.344 -0.107 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1N 2179201167 GXNQCDLJLDUHLS-MNOVXSKESA-N 301.324 -0.059 5 10 DBBE NNc1cc(S(=O)(=O)NC[C@@H]2CCO2)ccc1[N+](=O)[O-] 2189561281 CNWFHEJMFCFYCR-ZETCQYMHSA-N 302.312 -0.052 5 10 DBBE Nc1cccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)c1[N+](=O)[O-] 323379655 GIVAFBMGPKQROP-SFYZADRCSA-N 303.296 -0.785 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2ccnn2)nc1 593575097 HGXAOSVWFWWVBI-UHFFFAOYSA-N 312.311 -0.050 5 10 DBBE CN1C(=O)C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593592451 JYRMYZLMGNNTQL-SSDOTTSWSA-N 314.279 -0.975 5 10 DBBE C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 845917186 ZGNJSRRERCFLLB-MRVPVSSYSA-N 314.323 -0.159 5 10 DBBE COC1(C(=O)NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 851329394 KGISUGDMJNSMMO-UHFFFAOYSA-N 301.280 -0.026 5 10 DBBE Cn1nnc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)n1 1270743339 OEJUISHUBUILOF-NXEZZACHSA-N 323.357 -0.606 5 10 DBBE CCN(C)CCC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581001545 FWOLFUKKMQUNTL-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)Cn1ccnn1 1626063022 DGGQKQQNFUJSRV-LLVKDONJSA-N 305.294 -0.094 5 10 DBBE C[C@H](O)[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 1658965292 JTBZJJRQMZHXGO-WCQGTBRESA-N 300.315 -0.766 5 10 DBBE CN(CCNC(=O)Cc1cccnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1745089071 MPFRFXNDYAOSOR-VXGBXAGGSA-N 306.322 -0.136 5 10 DBBE O=C(CC1(O)CCC1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1758701830 CXQNULQEGLPMDI-LMLFDSFASA-N 311.338 -0.280 5 10 DBBE O=C(O)[C@@H](Nc1ncc([N+](=O)[O-])s1)C1CS(=O)(=O)C1 1890929928 JYELZKXRQHNNTO-LURJTMIESA-N 307.309 -0.039 5 10 DBBE CCS(=O)(=O)N(C)CCN=c1[nH]cnc(N)c1[N+](=O)[O-] 1926377469 FDPXRYSFCOQLAB-UHFFFAOYSA-N 304.332 -0.918 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1COC[C@@H]1CO 2146505670 RHVHWPOKAVBAML-DTWKUNHWSA-N 302.308 -0.120 5 10 DBBE CCCNC(=O)[C@@H](C)n1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156822321 AELBYCMNQUACAP-ZCFIWIBFSA-N 305.316 -0.474 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=NCCCS(C)(=O)=O)[nH]1 2286727492 PSRILIQDZGAATQ-UHFFFAOYSA-N 304.328 -0.200 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCc2ncn[nH]2)c1 80651307 YPDBTQACLHRZCF-UHFFFAOYSA-N 312.311 -0.184 5 10 DBBE O=C1CN(C(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)CCN1 153291494 HRCMGCJDPNNHHE-UHFFFAOYSA-N 318.333 -0.089 5 10 DBBE Cc1[nH]nc(C(=O)N[C@H](CO)CN2CCOCC2)c1[N+](=O)[O-] 339218172 UUKDJEXRAAFADZ-VIFPVBQESA-N 313.314 -0.951 5 10 DBBE NC(=O)[C@@]1(O)CCN(c2ncnc3cccc([N+](=O)[O-])c23)C1 428230060 OQADUVTYKBNXMK-CYBMUJFWSA-N 303.278 -0.036 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN2C(=O)OCC[C@H]2C1 494088472 ZJXUFJNSLMSBDU-VIFPVBQESA-N 309.282 -0.156 5 10 DBBE NC[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(F)(F)F 594525815 WAKFIRYRXOAMGV-ZETCQYMHSA-N 310.236 -0.020 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 596437954 YOIKEARGJMFXDB-VDTYLAMSSA-N 303.300 -0.809 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@H](CC(N)=O)C2)n1 599187307 QXLBLTXEJUAILZ-MRVPVSSYSA-N 324.293 -0.143 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1nccc(N)c1[N+](=O)[O-] 697049722 BQWFZWZZWABBKN-SFYZADRCSA-N 302.312 -0.204 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)C1 1140714085 OQCAWDQMAGEMLQ-UHFFFAOYSA-N 315.307 -0.046 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1nc[nH]n1 1294065280 BLFHTPZLMHOOCP-NXEZZACHSA-N 324.341 -0.633 5 10 DBBE O=C(NC[C@@]1(CO)COCCN1)c1csc([N+](=O)[O-])c1 1302503249 GJAPOCPSJPCVEY-LLVKDONJSA-N 301.324 -0.263 5 10 DBBE CCN(OC)C(=O)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1327170033 BYBOHBCRZWNOJQ-UHFFFAOYSA-N 312.282 -0.717 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](N2CCC2)[C@H](F)C1 1328361134 ZHYDODPUHDLLIN-ZJUUUORDSA-N 312.305 -0.169 5 10 DBBE NC1=CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 1439525483 KAYLJZTYSVSZMP-UHFFFAOYSA-N 317.261 -0.662 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cnnn1C 1493535393 VOHOEGUYAZXJOZ-UHFFFAOYSA-N 322.329 -0.681 5 10 DBBE COC(=O)C[C@@H]1COCCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 1556884363 XUOWPVRMIFSMRM-SECBINFHSA-N 324.293 -0.024 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCCN2CCO 1558702676 VZIUTOMPIPTFGU-VHSXEESVSA-N 309.326 -0.011 5 10 DBBE Cc1nn(CCC(=O)N2C[C@@H](O)[C@H](CO)C2)c(C)c1[N+](=O)[O-] 1629600151 ACCLFEKJWZYRCT-WDEREUQCSA-N 312.326 -0.390 5 10 DBBE CCN(CCNC(=O)Cc1n[nH]c(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688397700 GVFQAKDHBXAQLB-NXEZZACHSA-N 324.341 -0.714 5 10 DBBE COc1cccc(C(=O)N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)c1[N+](=O)[O-] 1889917835 WPQNGYQJJYIKJF-RKDXNWHRSA-N 319.273 -0.052 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NC2([C@H](O)CO)CC2)c1 2190120325 XYXITBKMCJEWLX-SECBINFHSA-N 303.296 -0.846 5 10 DBBE NC(=O)[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 228577401 CAEQWOJCNYKTTL-ZETCQYMHSA-N 323.714 -0.627 5 10 DBBE COC(=O)[C@@]12CCOC[C@@H]1CN(c1ncc([N+](=O)[O-])c(N)n1)C2 373645302 RIQQGKLXAQBAQY-ISVAXAHUSA-N 323.309 -0.017 5 10 DBBE O=C1[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCC1 600762992 YQFOMWXSZNJROG-STQMWFEESA-N 323.353 -0.105 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 609737447 IOBASBRHGAQUIR-QMMMGPOBSA-N 316.339 -0.303 5 10 DBBE O=C1CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cn2)CCN1 761976474 PSNUWWRMYOUPER-UHFFFAOYSA-N 308.250 -0.895 5 10 DBBE C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCS1(=O)=O 1154181397 WUMVJTGLIOJMJT-QMMMGPOBSA-N 317.327 -0.778 5 10 DBBE CN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2O)CC1 1159916512 PDBHJNQXYXSAAV-UHFFFAOYSA-N 322.321 -0.196 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n1 1319627129 PHNLMCKUIUELNN-SSDOTTSWSA-N 317.327 -0.908 5 10 DBBE COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331350354 OJMOZZMFQKBGCY-HTQZYQBOSA-N 320.327 -0.901 5 10 DBBE Cc1cc(O)nc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 1452740573 WFEMFLJVXZTOSR-UHFFFAOYSA-N 319.277 -0.123 5 10 DBBE CN(CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1 1530799669 OCAXLSWHFMOBLS-CHWSQXEVSA-N 324.381 -0.290 5 10 DBBE Cc1c(CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] 1655057765 USRUPUNRSSCHNZ-GHMZBOCLSA-N 306.322 -0.078 5 10 DBBE O=C(NC1(C(=O)O)CNC1)c1ccnc(Cl)c1[N+](=O)[O-] 2152333525 QHYVHBMFTXRUQZ-UHFFFAOYSA-N 300.658 -0.200 5 10 DBBE CNc1ncnc(N2CC(CS(C)(=O)=O)C2)c1[N+](=O)[O-] 2159451699 AZINGKLENVLETL-UHFFFAOYSA-N 301.328 -0.093 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1nccc(N)c1[N+](=O)[O-] 2192654013 AUCBKAVXNXYSGT-YUMQZZPRSA-N 301.328 -0.631 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=NCC1(O)CS(=O)(=O)C1 2267892451 JDHCHIHSXHFPKE-UHFFFAOYSA-N 307.715 -0.364 5 10 DBBE CC(C)(NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-])C(N)=O 50676813 XHKOXHXACGKICJ-UHFFFAOYSA-N 302.312 -0.281 5 10 DBBE NNc1ncnc(NC2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 159210398 AQKOAYGUXQZYKR-UHFFFAOYSA-N 302.316 -0.341 5 10 DBBE O=C1C[C@@H](NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CN1 229204463 HBRCNIBEMIWKGE-ZCFIWIBFSA-N 301.280 -0.533 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCNC[C@H]1C(F)F 367994121 PRNHEDSKQQBQRL-VIFPVBQESA-N 316.264 -0.178 5 10 DBBE CN1NN=C2C1=NCC[C@@H]2C(=O)NCCn1cc([N+](=O)[O-])cn1 597409662 FFDDCBRSFNXBHQ-VIFPVBQESA-N 320.313 -0.868 5 10 DBBE C[C@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600660355 SMDXYMLEIFMLPR-BQBZGAKWSA-N 318.311 -0.046 5 10 DBBE CN(CCN1CCCS1(=O)=O)C(=O)c1n[nH]cc1[N+](=O)[O-] 611211055 RHSAJAZIDLPBBH-UHFFFAOYSA-N 317.327 -0.575 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC[C@@H]2O)cc1F 699963821 XEOMURBFFXXVGN-SCZZXKLOSA-N 305.287 -0.655 5 10 DBBE CNc1nc(C)c([N+](=O)[O-])c(N(C)CCS(N)(=O)=O)n1 719701501 ISNWKQYEJIMFEJ-UHFFFAOYSA-N 304.332 -0.540 5 10 DBBE Nc1ccc(S(=O)(=O)NCCOCCO)cc1[N+](=O)[O-] 722212273 BMGLPIZRCDCTGS-UHFFFAOYSA-N 305.312 -0.536 5 10 DBBE Cn1nccc1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750757548 AOWVLRLIJAAODE-UHFFFAOYSA-N 311.279 -0.158 5 10 DBBE COC(=O)N(C)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 849470931 WRUIOQNKJXGQIO-UHFFFAOYSA-N 318.311 -0.034 5 10 DBBE CNS(=O)(=O)C[C@@H]1CCCN1c1nn(C)cc1[N+](=O)[O-] 1185543863 MFKLCYRBEPLCIS-QMMMGPOBSA-N 303.344 -0.154 5 10 DBBE C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O 1324025674 UECAXDOMKPUAQJ-HTQZYQBOSA-N 316.339 -0.024 5 10 DBBE CN1CCC2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1=O 1448533242 DZDAGGKEMBLRRR-UHFFFAOYSA-N 322.325 -0.343 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 1467810857 GELNXIYFNVUEFF-NEPJUHHUSA-N 323.353 -0.233 5 10 DBBE CCNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cc(C)n1 1565590555 FWXHNTLYFMAJIG-UHFFFAOYSA-N 316.339 -0.033 5 10 DBBE NC(=O)[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C(N)=O 1643814463 LNKCLIWNXXIMEY-AOOOYVTPSA-N 310.285 -0.248 5 10 DBBE Cc1cc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)nn1 1686589354 PNVSWLYEDKOKGJ-GHMZBOCLSA-N 307.310 -0.395 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNCCOC2)cn1 2152194395 IPUZJOFCCRGFQG-MRVPVSSYSA-N 302.312 -0.744 5 10 DBBE CC1(NS(=O)(=O)c2cccc(NN)c2[N+](=O)[O-])COC1 2189273428 WHKNFMLRPLREAE-UHFFFAOYSA-N 302.312 -0.052 5 10 DBBE O=CN[C@H](C[S@@](=O)Cc1ccc([N+](=O)[O-])cn1)C(=O)O 2195294465 JKIHYRNJJXZFDH-YBYGRFCBSA-N 301.280 -0.562 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@@H](C)CN(C)C 2232807824 WVXVMFAQCPEVHH-ZETCQYMHSA-N 305.360 -0.055 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N=c1nc[nH]s1 2240954078 QBVMPTZDCIUTKJ-UHFFFAOYSA-N 316.324 -0.045 5 10 DBBE O=C(CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21)NCCCO 31845517 CYITVDZGRAHEPV-UHFFFAOYSA-N 309.278 -0.181 5 10 DBBE COC[C@H](O)CN(C)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 47952313 ADSCUBIWWDJDOI-MRVPVSSYSA-N 320.323 -0.072 5 10 DBBE C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCS1(=O)=O 330850009 LGQWLLAMVFLMJD-VIFPVBQESA-N 316.339 -0.173 5 10 DBBE COC1(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 847894467 BPVBJFUEEKVXAL-UHFFFAOYSA-N 301.280 -0.026 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCCNC(=O)C1CCC1 1116226515 GNLNDUFORUZUTD-UHFFFAOYSA-N 310.314 -0.391 5 10 DBBE C[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CCN1CCO 1138607062 IRQPIPPBUHRMCZ-SECBINFHSA-N 309.326 -0.289 5 10 DBBE Nc1nccc(C(=O)NCCN2CCNC2=S)c1[N+](=O)[O-] 1160308936 QRFRVJDZLQKBFM-UHFFFAOYSA-N 310.339 -0.508 5 10 DBBE NC(=O)C[C@@H]1COCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1642973711 YYQKAFOGCJSTBF-YPMHNXCESA-N 323.305 -0.269 5 10 DBBE Cn1cc(N2C[C@H](C(=O)N3CCN=C3C[N+](=O)[O-])CC2=O)cn1 1852137114 ILSJTBSKCVTXHU-SECBINFHSA-N 320.309 -0.710 5 10 DBBE CN=c1[nH]c(=NCCS(=O)(=O)C(C)C)[nH]cc1[N+](=O)[O-] 2157682776 WTFNDLXUHHBAMX-UHFFFAOYSA-N 303.344 -0.495 5 10 DBBE C[C@H]1[C@@H](O)CN1S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 2182522491 FTVQLLRKHRCFFX-RCOVLWMOSA-N 302.312 -0.366 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(=N[C@H]2CS(=O)(=O)C[C@H]2O)[nH]1 2239225577 RZBRWKNWSFGTMT-IONNQARKSA-N 304.328 -0.636 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1C[C@H](O)[C@H](O)[C@H](CO)C1 2289402926 TYQSNCBTKNTGRR-VMHSAVOQSA-N 304.690 -0.812 5 10 DBBE CCCn1cc([N+](=O)[O-])cc1C(=O)NCCS(N)(=O)=O 40378286 FCBZIQLAYIRKBI-UHFFFAOYSA-N 304.328 -0.175 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](N)[C@@H](C)O 84796994 UWVYPZQJEDRUAD-VXNVDRBHSA-N 319.339 -0.410 5 10 DBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CC(O)C1 170209932 NDBKKJGUTXVRAH-UHFFFAOYSA-N 305.246 -0.606 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2nnnn2C)n1 342559004 DXFMHNJZMYTQEE-UHFFFAOYSA-N 307.270 -0.064 5 10 DBBE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1=O 362243469 ZIFQCPVWDMYCJH-VGMNWLOBSA-N 308.298 -0.688 5 10 DBBE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1=O 374128806 HAFGSUXQINWBKI-OPRDCNLKSA-N 307.310 -0.083 5 10 DBBE NC[C@]1(CO)COCCN1C(=O)c1csc([N+](=O)[O-])c1 694645420 CMAUMCLMVGODAC-NSHDSACASA-N 301.324 -0.182 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H](C2OCCO2)C1 1321575134 CYSAFZOINQDNIO-SECBINFHSA-N 311.298 -0.202 5 10 DBBE O=[N+]([O-])c1cnn(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1326487252 TXBWHVWWGRJRKI-LLVKDONJSA-N 316.339 -0.362 5 10 DBBE NS(=O)(=O)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 1456620618 YXRUCYPXXYWKPX-ZETCQYMHSA-N 302.312 -0.327 5 10 DBBE O=C(CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CC1 1481623900 FXTVUTSOVZMEOT-VXGBXAGGSA-N 310.354 -0.774 5 10 DBBE CCN(CCCNC(=O)c1cnn[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1492978534 UQWXYFZXCYVPDY-PSASIEDQSA-N 310.314 -0.562 5 10 DBBE CC1(C)CCN(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1522628038 PJKTZBDWMPAFRK-GHMZBOCLSA-N 312.370 -0.384 5 10 DBBE CN(CCCNCc1nnnn1C1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1670091244 UXZYVSXDBVVOCE-GHMZBOCLSA-N 323.357 -0.389 5 10 DBBE Cn1c(C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cnc1[N+](=O)[O-] 1889911648 MLXMPQRXKNBDBK-LLVKDONJSA-N 323.353 -0.001 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](O)CO 1963058203 AQDSZUJLHPIHOD-JTQLQIEISA-N 304.324 -0.075 5 10 DBBE NNc1cc(NCC2(O)CS(=O)(=O)C2)cc([N+](=O)[O-])c1 2283074868 AHMXNKSKDQKHPQ-UHFFFAOYSA-N 302.312 -0.548 5 10 DBBE Nc1ccc(S(=O)(=O)NCCc2ncn[nH]2)cc1[N+](=O)[O-] 80627973 CMGBNEFFWPEPJG-UHFFFAOYSA-N 312.311 -0.184 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1N 88378230 QDIXZXUMVZNIAR-NSHDSACASA-N 317.323 -0.091 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1[N+](=O)[O-] 316912057 FTUWPPBKLHOKRM-FSPLSTOPSA-N 323.352 -0.788 5 10 DBBE CCN(Cc1cn(C)nn1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 359154473 BYCNWZRJMBXNEP-UHFFFAOYSA-N 320.309 -0.066 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CSC[C@H]2C(=O)O)n1 600655152 JXYHMCNLCARVSM-LURJTMIESA-N 322.324 -0.524 5 10 DBBE Cc1nc(NN)nc(NC[C@@H](C)S(C)(=O)=O)c1[N+](=O)[O-] 697565631 SBVGOBCVFSGNRD-RXMQYKEDSA-N 304.332 -0.176 5 10 DBBE C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](O)CO 698919611 PDSSPVOKKKOIPD-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CNC[C@@H]1O 699961771 GZHCFGZKQONMJP-ZJUUUORDSA-N 301.324 -0.486 5 10 DBBE COC(=O)[C@]1(O)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 1175668897 IPLJYXDJDKYZHY-AWEZNQCLSA-N 323.305 -0.197 5 10 DBBE Cc1nn(CCC(=O)N[C@H](CO)[C@@H](C)O)c(C)c1[N+](=O)[O-] 1183670586 SCGCMPITKYJHHZ-NXEZZACHSA-N 300.315 -0.344 5 10 DBBE Cc1nonc1CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1284989919 SDPHFANVLGZHPJ-MWLCHTKSSA-N 323.309 -0.840 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(NCCO)CC1 1319577255 RJHHCBRBXZRDNK-UHFFFAOYSA-N 309.326 -0.361 5 10 DBBE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCn1cncn1 1327212851 KKVNHPIGQMERQD-VXGBXAGGSA-N 310.358 -0.276 5 10 DBBE O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])NCCN1CCCCC1 1569057201 IEBVGFMZORBHLQ-UHFFFAOYSA-N 324.341 -0.350 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cn3C)C[C@@H]2C1=O 1595381325 KJBNVMBRKOUJOM-DTORHVGOSA-N 306.278 -0.380 5 10 DBBE Cc1nc(N2CCN3[C@@H](CNS3(=O)=O)C2)ncc1[N+](=O)[O-] 1640450151 YSCKSDXHBBYIEC-QMMMGPOBSA-N 314.327 -0.968 5 10 DBBE CCCS(=O)(=O)C[C@@H](C)N=c1[nH]c(=N)[nH]cc1[N+](=O)[O-] 2170583225 LPDAKFZGCPPDEV-SSDOTTSWSA-N 303.344 -0.156 5 10 DBBE O=C(Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1NC[C@@H](O)[C@H]1O 2359746754 IKYLQVSQVVZNMU-GJMOJQLCSA-N 302.674 -0.725 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 133979086 NYNSFATUESNZEE-SFHVURJKSA-N 307.353 -0.166 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCS(=O)(=O)[C@@H](C)C1 348574722 KNHJGLBQSCEEJL-QMMMGPOBSA-N 316.339 -0.255 5 10 DBBE NS(=O)(=O)c1ccc(N2CCn3nncc3C2)cc1[N+](=O)[O-] 596300002 ROLIVKQANUCBGA-UHFFFAOYSA-N 324.322 -0.146 5 10 DBBE C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](O)CO 698918015 HPBYERIDFLHWCU-LDYMZIIASA-N 304.324 -0.244 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1134547777 DJWKKVOOIFWJDC-DTORHVGOSA-N 314.323 -0.706 5 10 DBBE COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1338545720 AQQGOPQRBLGCSV-WPRPVWTQSA-N 312.282 -0.533 5 10 DBBE Cc1nccn1CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1358663392 DCECZIQYWUJJQW-GHMZBOCLSA-N 321.337 -0.378 5 10 DBBE CNC(=O)CN(CC(=O)NC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 1460721804 RIRMFHMQAFCYIR-GFCCVEGCSA-N 324.337 -0.578 5 10 DBBE Cc1ccn(CC(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1501145989 GXGVGEMNCMQLGP-VXGBXAGGSA-N 323.353 -0.226 5 10 DBBE O=C1CC[C@H](C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 1634055253 BLAAIZQBAHXDFI-NQBHXWOUSA-N 324.289 -0.189 5 10 DBBE Cn1cncc1CCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1688633308 JZQKKHLUPNMTRC-VXGBXAGGSA-N 321.337 -0.655 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COC[C@H]2O)cc1 2154108965 NRPZFMKOYKBSKB-GZMMTYOYSA-N 302.308 -0.120 5 10 DBBE C[C@@H](N=c1nc([N+](=O)[O-])[nH]n1C)C1CCS(=O)(=O)CC1 2159180577 LXWXBQFBSIKXRQ-SSDOTTSWSA-N 303.344 -0.230 5 10 DBBE CO[C@H]1C[C@@H]1NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 2188224169 VHCPCQYQJYGDLN-YUMQZZPRSA-N 302.312 -0.054 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1N=c1[nH]n(C)c(C)c1[N+](=O)[O-] 2207487882 JFAIVCUBKRYQHQ-JGVFFNPUSA-N 304.328 -0.717 5 10 DBBE Cc1cc(S(=O)(=O)NC[C@H](O)CO)cc([N+](=O)[O-])c1F 164573159 ISKLRCRTCNZPON-ZETCQYMHSA-N 308.287 -0.326 5 10 DBBE Cc1nn(CCC(=O)NC[C@H]2CNC[C@@H]2O)c(C)c1[N+](=O)[O-] 262123332 FZXCDLFPPCQDAX-MNOVXSKESA-N 311.342 -0.505 5 10 DBBE CC[C@@H](CO)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 271355200 FNJNPCKHZHWLOH-JTQLQIEISA-N 311.342 -0.143 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 352991183 SIXLDMYDRHEPKH-ZCFIWIBFSA-N 303.300 -0.918 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCN(CCO)CC1 594744397 JLDVQIKSUIBZFY-UHFFFAOYSA-N 316.339 -0.712 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNCCCO2)nc1 595109794 QHEABSCIQXQFMJ-JTQLQIEISA-N 316.339 -0.353 5 10 DBBE CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 597693487 FDGYCKUGKFMAJJ-MNOVXSKESA-N 324.341 -0.492 5 10 DBBE O=[N+]([O-])c1cnc(NCC[C@H]2CNCCS2(=O)=O)nc1 721809590 YYIYCYREZRPOJE-VIFPVBQESA-N 301.328 -0.427 5 10 DBBE Cc1noc(COC(=O)[C@H]2CCN(C)S2(=O)=O)c1[N+](=O)[O-] 853924231 NJEMBTOBEHEMPH-MRVPVSSYSA-N 319.295 -0.032 5 10 DBBE C[C@@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)O1 859160602 QQXZOKHNIQHWCD-RITPCOANSA-N 304.284 -0.689 5 10 DBBE O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC2(C[C@@H](O)CNC2=O)C1 1651761620 KOJVZWDXBRVDPZ-GFCCVEGCSA-N 319.317 -0.153 5 10 DBBE O=C(Cn1cnc(C2CC2)cc1=O)N1CCN=C1C[N+](=O)[O-] 1851833803 NXYKHDQMNFFJRE-UHFFFAOYSA-N 305.294 -0.362 5 10 DBBE CS(=O)(=O)N1CC(Nc2cc(NN)cc([N+](=O)[O-])c2)C1 2145432630 OXXMRNDFIQAMLF-UHFFFAOYSA-N 301.328 -0.064 5 10 DBBE N[C@H]1CC[S@@](=O)(=NS(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2154387938 HZHKMIGWZZMPLO-IIYDVTGLSA-N 320.352 -0.123 5 10 DBBE CN=c1[nH]c(N2CCS(=O)(=O)C[C@@H]2C)ncc1[N+](=O)[O-] 2157681949 KSPCNIOADPPUBE-ZETCQYMHSA-N 301.328 -0.528 5 10 DBBE Cc1cc([N+](=O)[O-])cn(CC(=O)N2CCCC[C@H]2C(N)=O)c1=O 127223734 WZBURZOMLLZGLP-NSHDSACASA-N 322.321 -0.069 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2COCCOC2)nc1 593597276 HTBJYPOQDWTUAI-UHFFFAOYSA-N 303.296 -0.317 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC(N)CC2)n1 599098213 RFKWUHGIZDPNIR-UHFFFAOYSA-N 303.344 -0.124 5 10 DBBE CN1CC[C@@H]2CN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])C[C@@H]21 599320823 HSKJMBJMBIQBQW-BDAKNGLRSA-N 315.355 -0.347 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@]2(O)CCSC2)c1 702232490 KHUQCGSGTQYWNI-WDEREUQCSA-N 302.356 -0.390 5 10 DBBE C[C@@H]1CS(=O)(=O)C[C@@H]1Nc1nc(NN)ncc1[N+](=O)[O-] 712255765 UKFDYDZCCSICPG-RITPCOANSA-N 302.316 -0.485 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCOC2(CNC2)C1 725374520 NROFERIDZVJDSH-UHFFFAOYSA-N 313.335 -0.042 5 10 DBBE CNC(=O)[C@H](C)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 1436582209 GYCSNIUTVGVZRZ-ZETCQYMHSA-N 322.277 -0.247 5 10 DBBE CN(C)c1noc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1483007021 DBLCOAHSVZHQPC-HIHHVFROSA-N 324.341 -0.437 5 10 DBBE CC1=NNC(=O)[C@@H]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 1615962803 IBEMDTUZJVDGCO-SNVBAGLBSA-N 308.298 -0.190 5 10 DBBE COC(=O)[C@@](C)(CO)NC(=O)Cn1cc([N+](=O)[O-])nc1C 1638857508 LSHGOINYSYEVBY-LLVKDONJSA-N 300.271 -0.860 5 10 DBBE COC(=O)CNC(=O)[C@@H]1CCCN1c1c([N+](=O)[O-])ncn1C 1651163324 AYVLZEOHPLUTLL-QMMMGPOBSA-N 311.298 -0.414 5 10 DBBE O=C(NC1(CCO)CN(C(=O)c2ccco2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1678389140 GITHENVKSHVXEA-NXEZZACHSA-N 323.305 -0.362 5 10 DBBE O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc2n(n1)CCCC2 1720088838 KXJVCURFLAADCG-ZYHUDNBSSA-N 321.337 -0.269 5 10 DBBE CCS(=O)(=O)CCN(C)c1nc(=N)[nH]c(C)c1[N+](=O)[O-] 2170437185 LIDSUUWCZFHUEQ-UHFFFAOYSA-N 303.344 -0.023 5 10 DBBE CO[C@H]1C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 2188222940 SHTNBBUIMGNVBS-IUCAKERBSA-N 302.312 -0.054 5 10 DBBE C[C@@H](O)[C@H](N)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 80737550 DRKHOUVZXXBNGK-LDYMZIIASA-N 303.340 -0.278 5 10 DBBE C[C@@H]1CS(=O)(=O)CCN1c1cc([N+](=O)[O-])cc(NN)n1 235287779 TYXBUSQKUVCREW-SSDOTTSWSA-N 301.328 -0.101 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 265232567 CGKMRJFQHQCYHB-SSDOTTSWSA-N 302.312 -0.313 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1c(N)cccc1[N+](=O)[O-] 311829157 DWGJFSIOUBAMAP-GOSISDBHSA-N 307.353 -0.166 5 10 DBBE O=C1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCN1 593607612 LZBIUPGZDQTSDY-MRVPVSSYSA-N 314.323 -0.063 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CNC[C@H]2O)ccc1Cl 699915948 CGKOZGUPTOZDTP-PSASIEDQSA-N 321.742 -0.141 5 10 DBBE C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCS1(=O)=O 1154181396 WUMVJTGLIOJMJT-MRVPVSSYSA-N 317.327 -0.778 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(F)(F)C[C@@H]1CO 1255381931 FKYYPNATNKHQPD-MRVPVSSYSA-N 317.248 -0.015 5 10 DBBE O=C(NCC1(NCCn2cncn2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1273084469 PXSJFKUOOBQBQI-GHMZBOCLSA-N 308.342 -0.428 5 10 DBBE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCC1 1327212123 BNQUXWBGUZSEOW-VXGBXAGGSA-N 312.370 -0.336 5 10 DBBE COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1329156267 YCSPJDNZWKNWMU-MRVPVSSYSA-N 322.281 -0.504 5 10 DBBE CCOCCOC[C@@H](O)CNC(=O)c1nn(C)cc1[N+](=O)[O-] 1343575633 HLEAKDNVIYHUED-VIFPVBQESA-N 316.314 -0.528 5 10 DBBE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 1469186479 LVPFRDZODPIOKM-SNVBAGLBSA-N 324.293 -0.183 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cc[n+]([O-])cc1 1535106377 KRULZIPAIQOTHW-GHMZBOCLSA-N 320.305 -0.636 5 10 DBBE COc1c(C(=O)N2CC(S(N)(=O)=O)C2)cccc1[N+](=O)[O-] 1556987580 OJTQZZMNIFWVDR-UHFFFAOYSA-N 315.307 -0.284 5 10 DBBE CCNC(=O)C(C)(C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1570134764 QNFKACJKWBSROU-UHFFFAOYSA-N 310.310 -0.213 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H](CO)[C@H](CCO)C1 1620676832 FAPNMUKFHIOQKA-NEPJUHHUSA-N 311.338 -0.321 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 1626282397 YICIOQWOFROKTC-UHFFFAOYSA-N 303.271 -0.153 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(CO)(CO)CC2)c1 1660070336 DJVZSNVGTCEBEN-GFCCVEGCSA-N 314.342 -0.781 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)CC1CC1 1714537533 VJTILUPVSDPARL-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE COCCCNCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1724975450 IGYZCSSLBLKLJT-VXGBXAGGSA-N 315.370 -0.369 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])C(=O)NCCS(=O)(=O)O 1866062283 JXHPTBSKGVCRIR-UHFFFAOYSA-N 316.291 -0.290 5 10 DBBE CCS(=O)(=O)NC1CN(c2ncnc(N)c2[N+](=O)[O-])C1 2165564019 YJFOUHVPJKOTNV-UHFFFAOYSA-N 302.316 -0.905 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CC[C@@](O)(CO)[C@@H](O)C1 2234101877 WKTSCTJVCVKIMR-QUBYGPBYSA-N 304.690 -0.667 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@@H]2N)n1 2239006174 IDUFFDLKNOOZHQ-CBAPKCEASA-N 304.328 -0.125 5 10 DBBE C[C@H](O)CN(CCN)S(=O)(=O)c1cccc([N+](=O)[O-])c1 2285347990 QWSDSOTZYKTPEG-VIFPVBQESA-N 303.340 -0.075 5 10 DBBE CC(=O)NCCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 50656012 IAVSARRTSFOUFQ-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 123009525 DDOJDHIJHSOXES-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE COc1c(OCCC(N)=O)cc([N+](=O)[O-])cc1S(N)(=O)=O 215790691 UGSSYOOZGZVJAX-UHFFFAOYSA-N 319.295 -0.495 5 10 DBBE C[C@@H]1C[C@@H]1N1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O 562992997 ZVXNGNYSORTJPO-DNIRFERGSA-N 323.353 -0.249 5 10 DBBE COCC1(O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593602503 QCLCDJKIPKWLGP-UHFFFAOYSA-N 303.296 -0.628 5 10 DBBE C[C@@H]1NCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1C 599109691 VUISXXHSBKEJAE-YUMQZZPRSA-N 303.344 -0.301 5 10 DBBE CS(=O)(=O)N1CCN(c2ncnc(F)c2[N+](=O)[O-])CC1 689000649 FDFDFWJSNCKQHT-UHFFFAOYSA-N 305.291 -0.395 5 10 DBBE O=C(CCn1cnc([N+](=O)[O-])c1)N=S1(=O)CCNCC1 712169401 VFMRSDVVRYWUNC-UHFFFAOYSA-N 301.328 -0.221 5 10 DBBE O=C(CN1CCCC1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941008038 VRKWOYJVEVVXKT-CHWSQXEVSA-N 324.381 -0.192 5 10 DBBE COCCN1CN(C(=O)Cn2c([N+](=O)[O-])cnc2C)CC1=O 1467425355 QJUIRYKCBYEEMS-UHFFFAOYSA-N 311.298 -0.626 5 10 DBBE O=C1NCC[C@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]12 1558096010 FKXKBXFFFUNCBS-BXKDBHETSA-N 307.310 -0.082 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCS(=O)(=O)C1 1565757988 KEQQPETUKLTTCE-SSDOTTSWSA-N 302.312 -0.365 5 10 DBBE O=C1CN(C2CN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CCN1 1889939513 FDPYQGIWGNZMFN-UHFFFAOYSA-N 304.306 -0.149 5 10 DBBE C[C@@H]1[C@@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 2126120755 WPBKRXPKCYSFSX-XINAWCOVSA-N 308.341 -0.304 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CCOC[C@@H]1[C@@H](O)CO 2146328156 DDNPGZYFBCSSQQ-BDAKNGLRSA-N 302.308 -0.150 5 10 DBBE C[P@@]1(=O)C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](O)C1 2177810413 VZCLKZYCCVEEKX-SNGHESPRSA-N 302.227 -0.357 5 10 DBBE Nc1sc(S(=O)(=O)N[C@H]2CCNC(=O)C2)cc1[N+](=O)[O-] 2186333844 ZJUKHBKHCMVDMQ-YFKPBYRVSA-N 320.352 -0.205 5 10 DBBE NNc1sc(S(=O)(=O)N2C[C@H]3COC[C@@H]32)cc1[N+](=O)[O-] 2186370263 IJUIPHPOWXAOHY-FSPLSTOPSA-N 320.352 -0.039 5 10 DBBE CN(C[C@H](O)CN)S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 313601818 VWZOVNPZMCKNEQ-MRVPVSSYSA-N 307.303 -0.326 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCN(c2ccccn2)C1 338021094 AAHIIWXJZQSGSQ-JTQLQIEISA-N 317.309 -0.024 5 10 DBBE COC(=O)CN1CCN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])CC1 361969169 ABGITSHAPGWBKX-UHFFFAOYSA-N 323.309 -0.266 5 10 DBBE Cn1nnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 362972061 HOQOEEYWKKDDFB-UHFFFAOYSA-N 304.313 -0.342 5 10 DBBE O=C1NCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 594790329 HTAPBIUFVATTCX-MRVPVSSYSA-N 303.271 -0.099 5 10 DBBE COC(=O)[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 599248236 YPQYQSXSJYFLOT-QMMMGPOBSA-N 318.311 -0.442 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2NCCO[C@H]2C1 725372924 CLQZMXASILETRA-ONGXEEELSA-N 313.335 -0.044 5 10 DBBE Cc1ncccc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1278863426 MBGVDFVGUKBJTQ-CHWSQXEVSA-N 320.349 -0.282 5 10 DBBE Cc1nc2n(n1)C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)CC2 1325833836 KAPTZRPUSMTUSF-QMMMGPOBSA-N 306.286 -0.783 5 10 DBBE Cc1ncnc(O)c1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1355835461 XEHRDJZMGAGUAZ-RKDXNWHRSA-N 323.309 -0.656 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2CCc3ncnn32)c1=O 1472973259 TVAMAQGLANZMPD-ZETCQYMHSA-N 304.266 -0.366 5 10 DBBE COc1cc(C(=O)NCC(=O)NCCO)c([N+](=O)[O-])cc1F 1566308027 ITQXTYUHPBLSBB-UHFFFAOYSA-N 315.257 -0.419 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H](CCO)[C@@H](CO)C1 1607697676 HGOFRFQIKNTSEA-GHMZBOCLSA-N 312.326 -0.451 5 10 DBBE COC(=O)CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1624993716 RHHNLXGHBIGQND-UHFFFAOYSA-N 316.291 -0.099 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NN2CCS(=O)(=O)CC2)n1 1629699030 HEIXZIRQOLNLKD-UHFFFAOYSA-N 314.323 -0.327 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](COC)C(=O)OC)n1 1632684081 YSJWBZYZQWWQHA-SSDOTTSWSA-N 300.271 -0.271 5 10 DBBE CN1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 1633132978 JJUSTTXJIVVIJA-SECBINFHSA-N 308.294 -0.507 5 10 DBBE Cc1ccc(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] 1654229705 SHIMOQICXLKGRL-QWRGUYRKSA-N 306.322 -0.078 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(CO)(CO)CC2)c1 1660070337 DJVZSNVGTCEBEN-LBPRGKRZSA-N 314.342 -0.781 5 10 DBBE O=C(O)[C@@H]1CN(c2ccncc2[N+](=O)[O-])CCS1(=O)=O 2197721243 DOINOCVWGOUQHN-VIFPVBQESA-N 301.280 -0.322 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]1[C@@H](O)CO 2286221372 RXXVKUWJCJOCSK-WPRPVWTQSA-N 302.308 -0.289 5 10 DBBE CN(CCO)S(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN 37928627 FQGPXLRDGRAKOR-UHFFFAOYSA-N 308.291 -0.368 5 10 DBBE CC[C@H](NS(=O)(=O)c1cnc(N)c([N+](=O)[O-])c1)C(=O)O 62431293 ZBPVSSAVCSWVFV-LURJTMIESA-N 304.284 -0.287 5 10 DBBE C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@](O)(C(N)=O)C1 276461551 OQUNZRVLZUMLOS-OTYXRUKQSA-N 322.321 -0.156 5 10 DBBE C[C@H]1[C@H](Nc2ncnc(NN)c2[N+](=O)[O-])CCS1(=O)=O 312912443 BBBODJCNXDOYKZ-NTSWFWBYSA-N 302.316 -0.342 5 10 DBBE C[C@]1(C(N)=O)CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594772373 JHIJMODAYXWHAY-NSHDSACASA-N 314.323 -0.124 5 10 DBBE O=C1NCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 594790330 HTAPBIUFVATTCX-QMMMGPOBSA-N 303.271 -0.099 5 10 DBBE Nc1nc(=NCCN2C[C@@H]3CCCCN3C2=O)[nH]cc1[N+](=O)[O-] 596534597 NYCORGXJTLYXLY-VIFPVBQESA-N 321.341 0.091 5 10 DBBE Nc1cc([N+](=O)[O-])cc(N2CCC(S(N)(=O)=O)CC2)n1 707414625 KGOGYHFIMHYZBF-UHFFFAOYSA-N 301.328 -0.171 5 10 DBBE CCO[C@@H]1C[C@H]1C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1261816622 PWMDZPVVJTXYGC-HTRCEHHLSA-N 318.311 -0.442 5 10 DBBE Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(CO)COCCN2)c1 1454783275 SDRCRIGXOOIRNY-AWEZNQCLSA-N 309.322 -0.016 5 10 DBBE CNC(=O)[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 1567455035 PXTIIVRAQMKEBF-VXGBXAGGSA-N 323.305 -0.398 5 10 DBBE CCN(CCNC(=O)c1cn(CC)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581177329 OHZNAJYYNKHAOK-MWLCHTKSSA-N 324.341 -0.459 5 10 DBBE Cc1ccnn1CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1584967965 BUWYRNIHYAMKLH-GHMZBOCLSA-N 321.337 -0.378 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(CC(N)=O)C2)n1 1627265826 TXTVJFZYGAWDHR-QMMMGPOBSA-N 310.314 -0.992 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C(=O)NC)C2)n1 1633792404 DUQVWNNDJZNZPQ-SECBINFHSA-N 311.298 -0.602 5 10 DBBE CS(C)(=O)=NCCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 1913517903 KWDYBAVKZIRBPB-JTQLQIEISA-N 305.360 -0.531 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CNCCOC2)c1 2152196393 PYBXJAUWIFZSNO-SECBINFHSA-N 301.324 -0.139 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CC2(CNS(=O)(=O)C2)C1 2176109483 AZNWATYQWWHHQN-UHFFFAOYSA-N 319.730 -0.222 5 10 DBBE Nc1c([N+](=O)[O-])ccc(O[C@@H]2CS(=O)(=O)C[C@@H]2N)c1F 2184668810 CSQSMJKCDSEQHX-YLWLKBPMSA-N 305.287 -0.181 5 10 DBBE CCOC(=O)[C@H](N)C[S@@](=O)Cc1nn(C)cc1[N+](=O)[O-] 2195298768 PATNCDXFZXCHJH-JLPJYYFKSA-N 304.328 -0.533 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CNC2CCS(=O)(=O)CC2)c1 37893288 ONRJWWSCBDTYMD-NSHDSACASA-N 318.355 -0.681 5 10 DBBE O=C(O)COCCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 93228432 AOYDEWZFBNYXJI-UHFFFAOYSA-N 305.268 -0.631 5 10 DBBE Nc1sc(S(=O)(=O)NCc2nnn[nH]2)cc1[N+](=O)[O-] 157574115 MCNWHQGDEUVESY-UHFFFAOYSA-N 305.301 -0.770 5 10 DBBE NC[C@H]1CN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CCO1 165636928 QUUZYQUEPKDRFR-QMMMGPOBSA-N 317.323 -0.351 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@](O)(CO)C1 313791214 JSCZUDGJNIRHHL-LLVKDONJSA-N 302.308 -0.287 5 10 DBBE COC(=O)C[C@@H]1COCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 345761520 LGGBUJUPPYVZJG-MRVPVSSYSA-N 312.282 -0.268 5 10 DBBE COC(=O)c1cc(C(=O)NC[C@](C)(O)CO)cc([N+](=O)[O-])c1 355336031 ODQLSTNGPNGVLB-ZDUSSCGKSA-N 312.278 -0.146 5 10 DBBE CN([C@H]1COC[C@@H]1O)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 709288315 CVQQWZGBRMUTBF-IUCAKERBSA-N 303.296 -0.630 5 10 DBBE NS(=O)(=O)c1cn(CCO[C@H]2CCOC2)nc1[N+](=O)[O-] 724954121 DZVSMMDWVCVSKP-ZETCQYMHSA-N 306.300 -0.756 5 10 DBBE Cc1nn(C)c(C(=O)NCCN2CCC(O)CC2)c1[N+](=O)[O-] 1161333310 NRBSOLOZXJDKDW-UHFFFAOYSA-N 311.342 -0.177 5 10 DBBE COC(=O)[C@@H]1C[C@@H](O)CN(CCn2c([N+](=O)[O-])cnc2C)C1 1171741942 SYUAKSOUUXNDIA-GHMZBOCLSA-N 312.326 -0.044 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCO[C@@H]3COCC[C@@H]32)c1 1308107854 ZMBUJDGLFAABQI-RWMBFGLXSA-N 312.326 -0.358 5 10 DBBE CS(=O)(=O)[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 1612298022 VAPDRHVJJBARNW-SSDOTTSWSA-N 314.323 -0.288 5 10 DBBE COC(=O)[C@@H]1CC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1635506492 MKHGUUVVRBXVNC-ZJUUUORDSA-N 309.278 -0.176 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(S(C)(=O)=O)C1 1642820487 DDAATQOCNOHHTF-UHFFFAOYSA-N 302.312 -0.645 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCC2(CC1)C[C@@H](O)CNC2=O 1643262080 NSLSDFXCIBMJQM-SECBINFHSA-N 309.326 -0.204 5 10 DBBE CCN1CCC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1=O 1645108289 KYEIBTFWOFEOBC-SNVBAGLBSA-N 322.321 -0.116 5 10 DBBE O=C(NC[C@]12COCCN1C(=O)COC2)c1cc([N+](=O)[O-])c[nH]1 1648920077 NRQMVJXGXGFKNK-CYBMUJFWSA-N 324.293 -0.720 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCC(CS(N)(=O)=O)CC2)n1 1650730875 KGBKLZKYSBDCGM-UHFFFAOYSA-N 303.344 -0.167 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1C(=O)N[C@]2(CCOC2)C1=O 1656432724 UWXNYGYURYULSL-LBPRGKRZSA-N 309.282 -0.189 5 10 DBBE O=C(C1CN(c2ncc(F)cn2)C1)N1CCN=C1C[N+](=O)[O-] 1851981914 HSEUHSDRYLRNRG-UHFFFAOYSA-N 308.273 -0.431 5 10 DBBE Cn1c(C(=O)N2CC(CN3C(=O)CCC3=O)C2)cnc1[N+](=O)[O-] 1891548400 HCVQUWLNVDSCOB-UHFFFAOYSA-N 321.293 -0.451 5 10 DBBE Cc1nc(Cn2nc([N+](=O)[O-])c(S(N)(=O)=O)c2C)no1 2156807184 IFEKRPMMOKVKDW-UHFFFAOYSA-N 302.272 -0.513 5 10 DBBE C[P@]1(=O)C[C@@H](O)[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 2177810414 VZCLKZYCCVEEKX-ZUNJMDCASA-N 302.227 -0.357 5 10 DBBE COCCC[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)O 158482765 BNAQMGVTLRZMLH-QMMMGPOBSA-N 300.271 -0.213 5 10 DBBE Nc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cn1 236366936 IUFBLGRKPAEDNW-ZCFIWIBFSA-N 300.296 -0.511 5 10 DBBE NC(=O)[C@]1(O)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 276180349 ANCBZGAGMXVQHL-AWEZNQCLSA-N 307.306 -0.024 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@](O)(CO)C2)cn1 313831606 ZLRZPZDJWMIYIW-JTQLQIEISA-N 303.296 -0.892 5 10 DBBE COC(=O)[C@@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CCSC1 340359681 DZAJBNOZLZSJOT-SNVBAGLBSA-N 315.311 -0.649 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2ccnc(O)c2C1 427778492 BHVGXGYJNKWHJB-UHFFFAOYSA-N 304.266 -0.128 5 10 DBBE CN=c1[nH]ccc(C(=O)N=c2cc(OC)n(C)[nH]2)c1[N+](=O)[O-] 594343869 UKEYQSFONYZRDE-UHFFFAOYSA-N 306.282 -0.130 5 10 DBBE COC(=O)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 599461863 JAFOGFZVELFOFV-LURJTMIESA-N 324.336 -0.141 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1COC2(CCCC2)O1 773693198 GQDQPNGZBYXRNB-SECBINFHSA-N 311.298 -0.012 5 10 DBBE CCn1ccc(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1293306248 BLIWMZDTAVJFNW-VXGBXAGGSA-N 323.353 -0.267 5 10 DBBE O=C1NC(=O)C2(CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)N1 1457160273 HTXYUWBWDYFHPS-UHFFFAOYSA-N 322.252 -0.303 5 10 DBBE COC[C@@H](C(N)=O)N(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1556789345 BGUXXSMKTFLNRK-QWRGUYRKSA-N 311.294 -0.413 5 10 DBBE COC(=O)C1(NC(=O)c2cc([N+](=O)[O-])cn2C)CC(CO)C1 1637458283 QVOVJVYCXZBWFK-UHFFFAOYSA-N 311.294 -0.023 5 10 DBBE COc1cc(CN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 1686989420 HUILAASZKZXVEW-GHMZBOCLSA-N 310.310 -0.007 5 10 DBBE CCCC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1703783337 QJZMPPFFIJYWNE-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])C(=O)NCCN1CC[C@H](O)C1 1866062094 BDSRFECCWSJIKZ-LBPRGKRZSA-N 321.333 -0.111 5 10 DBBE C[C@H](CS(N)(=O)=O)Nc1ncc([N+](=O)[O-])cc1C(=O)O 2152936731 CBLXVYWPBGLZGJ-RXMQYKEDSA-N 304.284 -0.223 5 10 DBBE CNC1CN(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])C1 2159022605 DQWUXNTXODNJEP-UHFFFAOYSA-N 300.340 -0.167 5 10 DBBE Nc1cc(N2CC[C@H](CS(N)(=O)=O)C2)ncc1[N+](=O)[O-] 2165859797 ISYXCHZGSIWKIP-ZETCQYMHSA-N 301.328 -0.313 5 10 DBBE Cc1nn(C)c(N[C@@H]2CNC[C@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2192674180 BIXCIEAGIQEAMD-HTQZYQBOSA-N 303.344 -0.566 5 10 DBBE CS(=O)(=O)N1CC[C@H](Oc2cc([N+](=O)[O-])cc(=N)[nH]2)C1 2285595093 HKEIACIAQMXGLW-QMMMGPOBSA-N 302.312 -0.185 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1C[C@H](O)[C@H](O)[C@H](CO)C1 2289384632 FRZCWUDQUXDQQQ-OYNCUSHFSA-N 302.308 -0.558 5 10 DBBE Nc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1[N+](=O)[O-] 17120905 SANDWXQTEMPBGP-UHFFFAOYSA-N 314.323 -0.266 5 10 DBBE O=[N+]([O-])c1cc(CO)ccc1O[C@@H]1CS(=O)(=O)C[C@H]1O 37693282 JZFCZLYPQUENDZ-MWLCHTKSSA-N 303.292 -0.376 5 10 DBBE COCCN(CCO)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 164142310 MAARQBWUGQJLMH-UHFFFAOYSA-N 300.315 -0.125 5 10 DBBE O=[N+]([O-])c1cnc(NC(CO)(CO)CO)c(Br)c1 236504603 XMSIZCLZOXHECR-UHFFFAOYSA-N 322.115 -0.120 5 10 DBBE C[C@H]1C(=O)N(C)CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 592903814 ZCMPAAYFWOALML-VIFPVBQESA-N 320.305 -0.029 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(O)CCSC2)n1 599248797 PFTLQZUOTPCONY-VIFPVBQESA-N 322.368 -0.525 5 10 DBBE COC(=O)C1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1118817171 ZKVBWZRBKCTBIL-UHFFFAOYSA-N 304.284 -0.688 5 10 DBBE Cc1c(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nnn1C 1285923332 FQNWTSPUXJCCSM-RKDXNWHRSA-N 322.325 -0.833 5 10 DBBE COCCOC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1339175905 ZPWOIQVFMKSPBW-UHFFFAOYSA-N 313.314 -0.160 5 10 DBBE CNS(=O)(=O)NCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1349643601 CEVMQHKBLCLGAK-UHFFFAOYSA-N 314.323 -0.509 5 10 DBBE CN1C(=O)CN=C1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 1454209965 LFTCNONBXIKBPR-UHFFFAOYSA-N 320.261 -0.076 5 10 DBBE CN(C)CCC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1514835142 POZVADMCCIZLGG-WRWGMCAJSA-N 312.370 -0.386 5 10 DBBE COC(=O)[C@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCOC1 1538122319 VGQMFBKSCHJRFV-LBPRGKRZSA-N 312.282 -0.513 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)CCO1 1617577201 HIEZDMPFBUYLCI-UHFFFAOYSA-N 303.296 -0.265 5 10 DBBE CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 1651090268 NFVVKZGSPOXAIZ-QWRGUYRKSA-N 321.337 -0.002 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=NC1[C@@H]2CS(=O)(=O)C[C@@H]12 2118030172 WXAAKOFFFYNKIR-RFZPGFLSSA-N 304.715 -0.085 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN=[S@@](C)(=O)N2CCNCC2)n1 2159112190 ACDAPZZAUVPSDM-HXUWFJFHSA-N 302.360 -0.254 5 10 DBBE NCC(CO)(CO)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 2280468313 KZTFDNAUXRMBOE-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE CCNC(=O)CCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 167962117 URZPCWUTQRKVNN-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@](O)(C(N)=O)C1 276487652 UNSWWZHDGXQOTK-YMTOWFKASA-N 322.321 -0.156 5 10 DBBE CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 360153965 MKEMMRZPCYTSEL-RXMQYKEDSA-N 309.325 -0.959 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCCNC2=O)n1 599213860 QUXJATFCYAPBJG-ZETCQYMHSA-N 317.327 -0.725 5 10 DBBE CNC(=O)NC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 600230454 VXZRDQOXYSOGKA-VIFPVBQESA-N 311.298 -0.307 5 10 DBBE CS(=O)(=O)c1ccc(N[C@H]2CNC[C@H]2O)c([N+](=O)[O-])c1 704182128 UYIBWRZBROUGNU-GXSJLCMTSA-N 301.324 -0.257 5 10 DBBE C[C@H]1C[C@@H](C(=O)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CO1 861326543 JYUUAUDQVSBDEZ-NKWVEPMBSA-N 318.311 -0.442 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CC(=O)N(CC2CC2)C1 1438850603 APMGFWMFOSMETF-SNVBAGLBSA-N 307.310 -0.082 5 10 DBBE Cc1c(CNC(=O)CN2CCNC(=O)C2)cccc1[N+](=O)[O-] 1447723328 SIFSRLZXKGRJJP-UHFFFAOYSA-N 306.322 -0.049 5 10 DBBE CN(CCNCC(=O)NCC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1493544126 GVDGKIBEZOHHPK-GHMZBOCLSA-N 314.386 -0.138 5 10 DBBE CN(C)C[C@](C)(O)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1546040275 BHSUIYMFAGYBBV-CYBMUJFWSA-N 312.326 -0.815 5 10 DBBE CN(CC(=O)N1CC(CO)(CO)C1)c1ccccc1[N+](=O)[O-] 1634312033 OKMQETCZOKPYAS-UHFFFAOYSA-N 309.322 -0.156 5 10 DBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 1653270136 XMOWXHUJXVIOKV-QMMMGPOBSA-N 310.266 -0.621 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncn(C)n1 1704276582 XMAYLLHUATYUEN-RKDXNWHRSA-N 310.314 -0.941 5 10 DBBE Cn1ccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1=O 1720273772 BWXUWVDEYVTDFD-GHMZBOCLSA-N 322.321 -0.713 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(CCO)[C@@H](C)C1 188717095 XZUMWCUFNGHHKS-JTQLQIEISA-N 311.342 -0.375 5 10 DBBE CN(CC(N)=O)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 347333378 LTBPMCKNQGQBFC-MRVPVSSYSA-N 324.293 -0.264 5 10 DBBE CN(C)C[C@]1(O)CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 597575271 WGQSOUPDFREDOS-CYBMUJFWSA-N 311.342 -0.143 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCNC23CCC3)n1 599107821 VXQUBBSKEAVQFE-VIFPVBQESA-N 315.355 -0.109 5 10 DBBE COC[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 599242599 OXDVSWHKXMLDRG-QMMMGPOBSA-N 320.327 -0.636 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(c2nc(N)ccc2[N+](=O)[O-])C1 703162644 LYZZABCXZGFEFL-SSDOTTSWSA-N 301.328 -0.300 5 10 DBBE Cn1c(C(=O)NCC23COCCN2CCOC3)ccc1[N+](=O)[O-] 913308763 NCRLSEMSFDYTTE-UHFFFAOYSA-N 324.337 -0.236 5 10 DBBE C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H](C)S(C)(=O)=O 1150031474 YDAAMAOSVSQATJ-DTWKUNHWSA-N 318.355 -0.023 5 10 DBBE CO[C@@]1(C(=O)O)CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 1351730670 ZCGDAIKJHAHOGT-LBPRGKRZSA-N 312.282 -0.048 5 10 DBBE CN(CCOc1ccc(S(N)(=O)=O)cc1)CC[N+](=O)[O-] 1559874326 MLXJSUFUEJYZBV-UHFFFAOYSA-N 303.340 -0.079 5 10 DBBE CNS(=O)(=O)NCC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 1587559586 DLOQIVAWLRGIRW-UHFFFAOYSA-N 316.339 -0.427 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2C2OCCO2)c1 1660412424 PRSHOLICVRMNCT-NEPJUHHUSA-N 312.326 -0.011 5 10 DBBE COc1ccc(S(=O)(=O)NOCC(=O)O)cc1[N+](=O)[O-] 70185496 NWYKPRKJXRTKHZ-UHFFFAOYSA-N 306.252 -0.102 5 10 DBBE CNC(=O)COc1c(F)cc([N+](=O)[O-])cc1S(N)(=O)=O 215911999 OJDUVCFZLJGXQT-UHFFFAOYSA-N 307.259 -0.494 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](O)C(N)=O 227838577 WVGUAETUGLVVAS-QMMMGPOBSA-N 303.296 -0.972 5 10 DBBE CNc1nccc(C(=O)N2CCC[C@](O)(CO)C2)c1[N+](=O)[O-] 576240025 PBKFCVHSSUNQGY-CYBMUJFWSA-N 310.310 -0.009 5 10 DBBE CN1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCC1=O 594763204 XHIIKWURGVOJQA-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE COCCOC[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599244194 XMJWZSKQVUHGCL-MRVPVSSYSA-N 322.343 -0.342 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NC1(C(=O)O)CCOCC1 1327629318 LTOXJKIBXKDUCW-UHFFFAOYSA-N 312.282 -0.150 5 10 DBBE C[C@H]1CS(=O)(=O)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 1535890812 INLSVJLMQZLASV-VIFPVBQESA-N 316.339 -0.173 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[C@H](O)C(F)F 1642442630 XYGPZURYRXVLKM-VIFPVBQESA-N 305.237 -0.111 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H]2[C@@H]1CCCN2CCO 1648401882 DUIKUWQATUKRNZ-NEPJUHHUSA-N 323.353 -0.151 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NCC1(O)CCS(=O)(=O)CC1 1651062682 QAEVXOWIDFAIKU-UHFFFAOYSA-N 304.328 -0.320 5 10 DBBE O=C(NCCO)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1 1861034010 JTSSMLOWSCZQEL-NEPJUHHUSA-N 323.305 -0.721 5 10 DBBE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CC([N+](=O)[O-])C1 1900052633 XBVZBZRRUKCOHC-VXNVDRBHSA-N 303.315 -0.252 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1(CO)CNC1 1918428527 CEQYZAJNCMQUDX-UHFFFAOYSA-N 305.287 -0.654 5 10 DBBE Cc1[nH]c(=NCCCNS(N)(=O)=O)c(Cl)cc1[N+](=O)[O-] 2157543663 BXPJKVUNCVRRLV-UHFFFAOYSA-N 323.762 -0.031 5 10 DBBE C[C@H](N=c1nc([N+](=O)[O-])[nH]n1C)[C@@H]1CCCS(=O)(=O)C1 2159179911 DSECZGUFWMCMDE-JGVFFNPUSA-N 303.344 -0.230 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1N=c1[nH]c(Cl)ncc1[N+](=O)[O-] 2207468401 BKIIELVOPHUTST-CAHLUQPWSA-N 322.730 -0.316 5 10 DBBE CS(=O)(=O)C[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 2360522352 LAQPNSRBADQCQQ-SNVBAGLBSA-N 301.324 -0.417 5 10 DBBE O=C(O)[C@@H]1CSCCN1C(=O)c1cc([N+](=O)[O-])c[nH]c1=O 214962836 JWRDGKULGUNQES-QMMMGPOBSA-N 313.291 -0.075 5 10 DBBE CN(c1cc([N+](=O)[O-])cc(NN)n1)[C@H]1CCS(=O)(=O)C1 234333322 OXYNCZVTIVFXQM-ZETCQYMHSA-N 301.328 -0.101 5 10 DBBE CN(C(CO)CO)S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 312513297 BDPZIWUSOBRXSE-UHFFFAOYSA-N 305.312 -0.849 5 10 DBBE Nc1nc(=NCCc2nnc3n2CCCC3)[nH]cc1[N+](=O)[O-] 346222556 SNUAZSOCZZPMLP-UHFFFAOYSA-N 304.314 -0.029 5 10 DBBE C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594769211 DSWPLHIIXRDPJQ-KWQFWETISA-N 317.323 -0.192 5 10 DBBE C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594781188 OCEGXNLSLDOSHL-APPZFPTMSA-N 314.323 -0.207 5 10 DBBE COC(=O)COCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 599442984 GKGRVZJHTQBHLX-UHFFFAOYSA-N 319.295 -0.542 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@H](O)[C@@H](C)O)cc1[N+](=O)[O-] 717400053 BWOPZXGZEOHOJD-KCJUWKMLSA-N 304.324 -0.077 5 10 DBBE O=C1NCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 822133301 LVCJAIRBJVHIKC-MRVPVSSYSA-N 303.271 -0.099 5 10 DBBE CN1CCN(C)[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 1146376789 MLYGGBAHXBVSGX-ZIAGYGMSSA-N 322.365 -0.010 5 10 DBBE CCS(=O)(=O)CCN(C)C(=O)Cn1cnc([N+](=O)[O-])n1 1319761083 XQCTWYBYKOAVOC-UHFFFAOYSA-N 305.316 -0.921 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(N2CC[C@H](O)C2)CC1 1328508526 FZBGEZFNYPROCT-LBPRGKRZSA-N 323.353 -0.151 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)C2=COCC2)n1 1329986773 SVGPVJONKYNOGG-UHFFFAOYSA-N 302.268 -0.563 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nc(O)n[nH]1 1493290446 HLPBQUZHYOHCFV-RKDXNWHRSA-N 312.330 -0.496 5 10 DBBE O=C(N[C@H]1C[C@H](CNCC(=O)N2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1506884670 VBUNJMGQPOYLBC-FDYHWXHSSA-N 324.381 -0.242 5 10 DBBE CC(=O)N1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1630371592 YOWRMCKCCVURBY-SNVBAGLBSA-N 308.294 -0.507 5 10 DBBE CC(=O)N(C)CCN1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 1732062015 YYKMLWWCKYCCBW-UHFFFAOYSA-N 324.385 -0.076 5 10 DBBE O=C(N=c1[nH][nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CN2CCN1CC2 1852809334 PMRFTCBLSKYRTO-LBPRGKRZSA-N 316.321 -0.169 5 10 DBBE C[S@](=O)C1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N)C1 2171957689 UEWPTTKECBRXCT-IBGZPJMESA-N 319.364 -0.072 5 10 DBBE CN=c1[nH]c(N[C@@H]2C[P@](C)(=O)C[C@H]2O)ncc1[N+](=O)[O-] 2177839163 NEDCFZVXZOJXAE-XMTZQAPESA-N 301.243 -0.004 5 10 DBBE NNc1c(Cl)cc(C(=O)NCc2nnn[nH]2)cc1[N+](=O)[O-] 51116323 JTHSTEDDIJYPDO-UHFFFAOYSA-N 312.677 -0.023 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] 111024850 QJCJAXUXLZNLDL-ZETCQYMHSA-N 314.323 -0.266 5 10 DBBE C[C@H](CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[S@](C)=O 253020125 JMXYMFABINCONF-SSBAMLGTSA-N 304.372 -0.101 5 10 DBBE C[C@](CO)(NS(=O)(=O)c1cncc([N+](=O)[O-])c1)C(=O)O 313521507 PGNSUYIWYMHICB-SECBINFHSA-N 305.268 -0.896 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C2CC2)C(=O)C1 337110919 NBRYLWQWMWGLEE-UHFFFAOYSA-N 307.310 -0.067 5 10 DBBE CCc1nn(C)c(N2CC(n3cc(C(N)=O)nn3)C2)c1[N+](=O)[O-] 361042491 KYZBDVPKVDESHF-UHFFFAOYSA-N 320.313 -0.358 5 10 DBBE O=C1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCN1 593607613 LZBIUPGZDQTSDY-QMMMGPOBSA-N 314.323 -0.063 5 10 DBBE C[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCN1 599108561 NDUHEZUNGNCINV-YUMQZZPRSA-N 303.344 -0.253 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Nc2ncnc(F)c2[N+](=O)[O-])C1 689071510 NACBULGOWYNNLW-ZCFIWIBFSA-N 305.291 -0.030 5 10 DBBE C[C@H](C[N+](=O)[O-])OC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 814037894 IRVOTVWEZVKJDE-QVKSAMRXSA-N 312.278 -0.643 5 10 DBBE CNC(=O)NC[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCO1 862634309 AIVYDESULBOJFA-JTQLQIEISA-N 316.358 -0.022 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 1128321502 OMBJHUDCKDEBBD-RVBSWOSCSA-N 322.277 -0.013 5 10 DBBE CC(C)(C)C(=O)C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1295333433 UWRGIFAJJIJIKF-NZFPMDFQSA-N 323.349 -0.160 5 10 DBBE CC(=O)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 1340915709 OKNJALDKWUJHOV-JTQLQIEISA-N 322.321 -0.164 5 10 DBBE O=C(NCCN(CCn1cncn1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1481169588 VEKAKMBUFUEFGX-VXGBXAGGSA-N 308.342 -0.476 5 10 DBBE COC(=O)[C@@H](F)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1558330235 IBEOUVBZGMXIQX-ZETCQYMHSA-N 301.230 -0.616 5 10 DBBE C[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)N1CCN(C)CC1 1628265827 XGNSSJLRLCGIAP-JTQLQIEISA-N 322.369 -0.062 5 10 DBBE CS(=O)(=O)C1CN(C(=O)c2cc([N+](=O)[O-])cnc2O)C1 1641644851 WGQPQCMNTKNDJX-UHFFFAOYSA-N 301.280 -0.436 5 10 DBBE CCn1ncnc1CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1699001652 MQELXRZQVRRIQZ-GHMZBOCLSA-N 310.358 -0.147 5 10 DBBE CCn1nncc1CN(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1731239727 GOJNEGUXRXOKMN-VXGBXAGGSA-N 310.358 -0.099 5 10 DBBE CS(=O)(=O)c1cccc(NC2(CO)CNC2)c1[N+](=O)[O-] 1918434573 ZVBDRKFBPKIWTK-UHFFFAOYSA-N 301.324 -0.256 5 10 DBBE N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 2168115186 LDGOPXQJYLGJKG-PSASIEDQSA-N 301.324 -0.323 5 10 DBBE NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2187584712 QHYXDUSRBAKUIL-ZJUUUORDSA-N 301.324 -0.323 5 10 DBBE CO[C@@H]1CNC[C@H]1S(=O)(=O)Nc1cc([N+](=O)[O-])ccn1 2202448801 NBMOVKOBIRRLDN-RKDXNWHRSA-N 302.312 -0.282 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN=[S@](N)(=O)N2CCOCC2)n1 2240633598 HBURNECWJHXLMY-FQEVSTJZSA-N 304.332 -0.583 5 10 DBBE CSC[C@H](CCO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599240748 AMHUIVOHFKYRNB-ZETCQYMHSA-N 324.384 -0.279 5 10 DBBE CN1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 712358026 RDJUVISWZFURSL-LURJTMIESA-N 321.384 -0.076 5 10 DBBE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1180243645 HVNJAGDFLSFANB-QCLAVDOMSA-N 301.299 -0.783 5 10 DBBE CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCN2CCO[C@H]1C2 1273733985 VUQGXTYSDRFNAZ-ZJUUUORDSA-N 310.314 -0.882 5 10 DBBE CO[C@@H]1CCOC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1538646211 HWUAQDZUGNJAIX-GHMZBOCLSA-N 311.294 -0.323 5 10 DBBE CN1[C@@H](CN=c2[nH]cnc(F)c2[N+](=O)[O-])CCS1(=O)=O 2145347692 ZCSLXCMUPQKMRS-ZCFIWIBFSA-N 305.291 -0.608 5 10 DBBE CN=c1nc(N=S2(=O)CCNCC2)c([N+](=O)[O-])c(C)[nH]1 2173936419 RNPBKGYBMSKJOY-UHFFFAOYSA-N 300.344 -0.140 5 10 DBBE C[P@]1(=O)C[C@@H](O)[C@@H](N=c2cc([N+](=O)[O-])cc(NN)[nH]2)C1 2177956157 PZXLNUYHMXCFEB-PNOQFWAASA-N 301.243 -0.155 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 2192675250 IEGPFDFNQMYSMR-XPUUQOCRSA-N 319.364 -0.229 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2CNC[C@@H](F)C2)c1 2234654944 JLHDDHIZYRYCEX-YUMQZZPRSA-N 304.303 -0.032 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])cc1)Nc1c[nH]c(=O)[nH]c1=O 16856821 UHKCXIHGTSDOOR-UHFFFAOYSA-N 306.234 -0.011 5 10 DBBE CN1CCN(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CC1 150107070 GAFNHVZTFVCEMB-UHFFFAOYSA-N 321.384 -0.321 5 10 DBBE C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 167715706 WVOOVHVXVPGKPE-DTWKUNHWSA-N 317.323 -0.240 5 10 DBBE CC[C@H](Oc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C(N)=O 216077492 UBMYQXRWMUFJFZ-ZETCQYMHSA-N 303.296 -0.115 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC[C@@](O)(CO)C2)c1 313828580 XWOVLKWZAZLDFU-JTQLQIEISA-N 303.296 -0.892 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@]2(O)CCOC2)nc1 593635777 PSRATMQEYYNKEE-NSHDSACASA-N 317.323 -0.190 5 10 DBBE C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N(C)C 599253331 IFTYRQGHVSQVGX-ZCFIWIBFSA-N 305.316 -0.917 5 10 DBBE Cn1nnnc1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 611327380 AMYADHVJHQZWIA-UHFFFAOYSA-N 320.265 -0.181 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@@H](CO)[C@H](O)C1 1138191111 VIOOOZMFSIXLBU-NTSWFWBYSA-N 304.690 -0.213 5 10 DBBE COC(=O)/C=C/[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1159785221 RKXNMIOYBGYCMK-NWALNABHSA-N 309.278 -0.010 5 10 DBBE Cc1cc(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1C 1351466709 PDZNCRYEBQKGCW-ZYHUDNBSSA-N 323.353 -0.028 5 10 DBBE CCN1CCN(C2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 1520751179 BJDDSTHLZJRHEG-UHFFFAOYSA-N 308.342 -0.220 5 10 DBBE O=C(OCc1ccccc1)[C@@H](O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1558094031 VEJKOHFYPCCYEC-UTUOFQBUSA-N 308.290 -0.128 5 10 DBBE CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1585666176 NRQBFKWEIXGZRO-GHMZBOCLSA-N 319.383 -0.076 5 10 DBBE CON(C)C[C@H](O)Cn1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1623158666 YDMBJWBGSNXOGT-HBNTYKKESA-N 313.314 -0.659 5 10 DBBE CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCS(N)(=O)=O 1651292610 CSNIPPDMSANUFC-UHFFFAOYSA-N 316.339 -0.003 5 10 DBBE NCCOCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2156031889 ULMUOTVKEKUOOR-UHFFFAOYSA-N 303.340 -0.011 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 2159177413 WVZDOOAONPQWGH-JGVFFNPUSA-N 303.344 -0.087 5 10 DBBE NNc1cc(N[C@H]2CS(=O)(=O)C[C@@H]2O)cc([N+](=O)[O-])c1 2177963568 SWFAVYHQDXKYFK-UWVGGRQHSA-N 302.312 -0.550 5 10 DBBE O=[N+]([O-])c1ccc(CNS(=O)(=O)N2CCNCC2)cc1 37668640 VRHNCVYQCVYOKC-UHFFFAOYSA-N 300.340 -0.166 5 10 DBBE C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@](O)(C(N)=O)C1 276461555 OQUNZRVLZUMLOS-YMTOWFKASA-N 322.321 -0.156 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(O)CNC2)cc1F 312220309 DIEURHHEQXLPNO-UHFFFAOYSA-N 305.287 -0.654 5 10 DBBE CS(=O)(=O)N1CC[C@H](Nc2[nH]c(=N)ccc2[N+](=O)[O-])C1 400134250 SDOLDROFXKIDSC-ZETCQYMHSA-N 301.328 -0.152 5 10 DBBE Cc1cc(C(=O)N2CCN(CC(N)=O)C(=O)C2)cc([N+](=O)[O-])c1 458052238 PWHGYKFSRFZLEP-UHFFFAOYSA-N 320.305 -0.327 5 10 DBBE O=C(C[S@@](=O)C[C@H](O)CO)Nc1ccc([N+](=O)[O-])cc1 526883580 DENOBZRCVNAISW-SBKAZYGRSA-N 302.308 -0.365 5 10 DBBE O=C(O)CNC(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1 585878033 GUBXLOJQQVSCNY-UHFFFAOYSA-N 310.266 -0.292 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1cc(F)ccc1[N+](=O)[O-])C(=O)O 691715379 MUHKXCCPGUZREY-LURJTMIESA-N 307.259 -0.113 5 10 DBBE NS(=O)(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCNC1=O 691715582 OWMRFRTVSBXGHW-MRVPVSSYSA-N 301.280 -0.491 5 10 DBBE NNc1ccc([N+](=O)[O-])c(N2CC[C@H](S(N)(=O)=O)C2)n1 707418813 VOYAQAFTMVUPCS-LURJTMIESA-N 302.316 -0.857 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nn[nH]n1 709895239 AVUOHIIJEAOBCW-UHFFFAOYSA-N 300.260 -0.806 5 10 DBBE NCCOCCS(=O)(=O)NCc1ccccc1[N+](=O)[O-] 722202162 LYGXJEVJJVDLSN-UHFFFAOYSA-N 303.340 -0.011 5 10 DBBE NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCn2nncc2C1 848747858 YZDVVOCYAUZTTN-UHFFFAOYSA-N 324.322 -0.146 5 10 DBBE NS(=O)(=O)c1ccc(C(=O)NN2CCCC2)cc1[N+](=O)[O-] 854327226 UKUWSFGASNTSJB-UHFFFAOYSA-N 314.323 -0.017 5 10 DBBE O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(C[C@@H](O)CNC2=O)C1 1177691911 AXMPGYAYPSYTNC-GFCCVEGCSA-N 319.317 -0.153 5 10 DBBE Cc1nn(C)c(C(=O)N2CCO[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] 1261835095 IVHBDTJIHXGZOB-QMMMGPOBSA-N 311.298 -0.647 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1ccnc1 1284522276 UAYGTOTUAYTAJH-GHMZBOCLSA-N 309.326 -0.487 5 10 DBBE NC(=O)C1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 1327035377 IUYPXFQRWQXMQU-UHFFFAOYSA-N 314.323 -0.124 5 10 DBBE C[C@@H]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CS1(=O)=O 1328811902 QIIPGXAXULVCEQ-SFYZADRCSA-N 317.327 -0.732 5 10 DBBE CC(=O)N1C[C@H]2CN(C(=O)c3nn(C)cc3[N+](=O)[O-])C[C@H]2C1 1533604916 XTSUGZCODJYWJP-AOOOYVTPSA-N 307.310 -0.121 5 10 DBBE CCCNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1566971819 MEDHPZMFQYIXNU-HMUNZLOLSA-N 310.354 -0.776 5 10 DBBE NC(=O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 1616454837 ILJZHYRHURWVJR-UHFFFAOYSA-N 321.337 -0.190 5 10 DBBE Cc1nc(N2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)n[nH]1 1631806551 PVSMZJAOCZQIAG-UHFFFAOYSA-N 320.313 -0.283 5 10 DBBE CO[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@](C)(CO)C1 1644128920 JWQHHDDXWABVKD-AVGNSLFASA-N 314.342 -0.376 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cc(C)[nH]n1 1721143803 PMFXSKAOZZFVKP-VXGBXAGGSA-N 323.353 -0.109 5 10 DBBE O=CNCCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 1859186470 LEEIIAWMKVWVBV-UHFFFAOYSA-N 322.321 -0.033 5 10 DBBE CS(=O)(=O)C[C@H](N)C(=O)Nc1ccnc(Cl)c1[N+](=O)[O-] 2360518466 CEWFBDTYTUZBFU-YFKPBYRVSA-N 322.730 -0.046 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)c1nnn[nH]1 44934706 SDVBDMLCTTYRNG-YFKPBYRVSA-N 313.299 -0.270 5 10 DBBE CN(CCS(C)(=O)=O)C(=O)c1cc([N+](=O)[O-])ccc1NN 94302656 NTCPUXJFYIMTQN-UHFFFAOYSA-N 316.339 -0.003 5 10 DBBE CNc1sc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] 323409874 MDHWKROHMPKJNA-IYSWYEEDSA-N 323.352 -0.264 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCn1ccnn1 343878065 BADAPBSQWZKXSB-UHFFFAOYSA-N 306.282 -0.446 5 10 DBBE C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] 592109127 UJJQSFYWAPACBS-ZETCQYMHSA-N 300.296 -0.202 5 10 DBBE COC(=O)[C@@]1(OC)CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 600298233 LKCPVABBELCERJ-CYBMUJFWSA-N 324.293 -0.024 5 10 DBBE CC(C)[C@@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O 605696174 DNAWGBOKUFFVMB-ANZHMPLFSA-N 315.366 -0.315 5 10 DBBE in-vitro CCOC[C@@H](C(=O)OC)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] 611543451 RBFPSOWQRKOYOZ-VIFPVBQESA-N 314.298 -0.022 5 10 DBBE CS(=O)(=O)N1CC[C@H](Nc2nc(F)ncc2[N+](=O)[O-])C1 688994663 AEDNXDTYMTWDQF-LURJTMIESA-N 305.291 -0.030 5 10 DBBE CNc1ncnc(N2CC(NS(C)(=O)=O)C2)c1[N+](=O)[O-] 703120654 NJDRLAFQWTZYIL-UHFFFAOYSA-N 302.316 -0.836 5 10 DBBE N[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 721893477 XVJMFTOBMSMZQP-GHMZBOCLSA-N 301.324 -0.011 5 10 DBBE C[C@@](O)(CO)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 798264685 SDKFVMJMUUWLHA-JSGCOSHPSA-N 323.305 -0.053 5 10 DBBE CC1(C)C(=O)NCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 849373390 CBVQUCPKFKSMPL-UHFFFAOYSA-N 314.323 -0.111 5 10 DBBE CS(=O)(=O)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCC1 1116895313 ATTOVLCVCOCPGR-UHFFFAOYSA-N 317.327 -0.730 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](O)C2(C)C)n1 1118873116 GYXYNBGJBBEVTG-QMMMGPOBSA-N 304.328 -0.138 5 10 DBBE O=C(NCC1(NCCCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1483732148 DRARPOVZPFCFCD-VXGBXAGGSA-N 324.381 -0.098 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc(C)nn1C 1496739699 NLJMHPBPHLHXBE-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE CCN(CC)CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1501147059 ZXFATXBPGWCBEY-VXGBXAGGSA-N 314.386 -0.090 5 10 DBBE C[C@@H]1CC(=O)NCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1586060026 ZYFJNQFWPPMBEX-SECBINFHSA-N 308.294 -0.507 5 10 DBBE NC(=O)c1ccnc(NCCN2CCC(O)CC2)c1[N+](=O)[O-] 1612388806 PJWMIFWYKIQIMX-UHFFFAOYSA-N 309.326 -0.043 5 10 DBBE NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 1626200398 BDFCVYOEDMHVBM-UHFFFAOYSA-N 306.278 -0.636 5 10 DBBE Cn1ccc(NC(=O)CNC(=O)c2nn(C)cc2[N+](=O)[O-])n1 1626520535 NYTBDSFTPGZWEI-UHFFFAOYSA-N 307.270 -0.570 5 10 DBBE CC1=NNC(=O)[C@H]1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1627152708 IFRKOLSBAXUHRF-JTQLQIEISA-N 321.293 -0.615 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CNC(C)=O 1688464526 SCGRVUXKZAAHAL-GHMZBOCLSA-N 314.342 -0.858 5 10 DBBE O=C1NOC[C@H]1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2148981716 OLIVFMWCWZRDAR-ZCFIWIBFSA-N 305.243 -0.558 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1NCCCNS(N)(=O)=O 2157537926 UTAWIKWGUQGPNN-UHFFFAOYSA-N 306.348 -0.285 5 10 DBBE CO[C@H](CN)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2365428204 WNZKIDBKNJASCV-MRVPVSSYSA-N 307.303 -0.014 5 10 DBBE CC(=O)N[C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 81133431 CNHNELWSVBOAST-MRVPVSSYSA-N 316.291 -0.042 5 10 DBBE CCCn1cc([N+](=O)[O-])c(=O)n(Cc2nnc(N)s2)c1=O 157077622 OVGXEBPANRAEPJ-UHFFFAOYSA-N 312.311 -0.190 5 10 DBBE CC[C@H](CO)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 340270940 GTASYOSTORFPNG-SNVBAGLBSA-N 312.330 -0.899 5 10 DBBE COC(=O)c1cc(C)nc(NCCn2ncnn2)c1[N+](=O)[O-] 342684891 XBUQDVAJEYEICS-UHFFFAOYSA-N 307.270 0.183 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(S(=O)(=O)NC2CCCC2)C1 371651602 QWYCYCPXRSDHJL-GHMZBOCLSA-N 317.367 -0.276 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN2CCOC[C@H]2C1 371871018 WJMLSAZUXCDBSF-GFCCVEGCSA-N 322.321 -0.701 5 10 DBBE O=C(NC1CNC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 563644352 BOHDZGDRJHCMAY-UHFFFAOYSA-N 304.306 -0.433 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[C@H]2C[S@]3=O)c1 593097726 QINAKHYTPGXQEU-MOGFNITOSA-N 300.340 -0.643 5 10 DBBE COC[C@@H](O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594767900 WXCMYIGDJGFMEK-QMMMGPOBSA-N 305.312 -0.335 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC(=O)N1C 594778224 CTUGIGQWKAOBSE-MRVPVSSYSA-N 314.323 -0.159 5 10 DBBE CN1NN=C2C1=NCC[C@H]2C(=O)NCCn1cc([N+](=O)[O-])cn1 597409661 FFDDCBRSFNXBHQ-SECBINFHSA-N 320.313 -0.868 5 10 DBBE C[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC(=O)N1 1129510787 QHKMWZLFMLUTSM-ZDUSSCGKSA-N 308.294 -0.459 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](O)C[C@@]1(C)CO 1167396653 FSSKGXINYOCDLS-GWCFXTLKSA-N 312.326 -0.166 5 10 DBBE COc1nc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])co1 1285546456 XGOUXKGIEODXIM-QTIBKXMGSA-N 324.293 -0.249 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(N2CCCC2=O)CC1 1464991509 YIGCFOLOHUOXGE-UHFFFAOYSA-N 322.325 -0.200 5 10 DBBE CN(CCNC(=O)c1cnn(C)c1)Cc1c([N+](=O)[O-])ncn1C 1567272125 UOALQKWBWPAVJX-UHFFFAOYSA-N 321.341 -0.076 5 10 DBBE CNC(=O)[C@H](O)CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] 1611150091 UPNMXUGXTJBTPU-LLVKDONJSA-N 313.285 -0.110 5 10 DBBE CCn1ccc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1733499638 KYTFAYVLGGJFMI-VXGBXAGGSA-N 323.353 -0.769 5 10 DBBE CN(C)CCC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1739180531 GPEXZIORCJXZCI-CHWSQXEVSA-N 324.381 -0.122 5 10 DBBE CCS(=O)(=O)N(C)CCN=c1ccc([N+](=O)[O-])c(N)[nH]1 1926366436 RHIOVEMKOWKSFK-UHFFFAOYSA-N 303.344 -0.313 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=N[C@@H](C)C2CS(=O)(=O)C2)[nH]1 2146086681 JHZGHFMKJNXZDL-LURJTMIESA-N 301.328 -0.885 5 10 DBBE O=C(N[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O)c1cc([N+](=O)[O-])cs1 2177861804 XYTCRXZLETVSLP-MCOJJJQWSA-N 302.308 -0.511 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1NC[C@@H](O)[C@H]1O 2357926471 HNGMHDGWBUCHBG-KXUCPTDWSA-N 301.686 -0.120 5 10 DBBE NC(=O)[C@@H]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 132050741 LOECKDLQNHVABB-ZJUUUORDSA-N 322.321 -0.083 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 158490603 KCZZRTRCTFPSLW-IBGZPJMESA-N 322.368 -0.463 5 10 DBBE N[C@H]1CCOC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 721919635 IGGCEWLQASMLLK-IUCAKERBSA-N 302.312 -0.616 5 10 DBBE NOCCS(=O)(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 722229403 YLFDHLMTJFMYTG-UHFFFAOYSA-N 305.268 -0.045 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCN1CCCO 1141311630 LSJIZDRVUYXETN-JTQLQIEISA-N 312.330 -0.851 5 10 DBBE NC(=O)[C@H](CO)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 1556564160 GGPYEAWQJYKMPO-NSHDSACASA-N 307.306 -0.021 5 10 DBBE COC(=O)C1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC(CO)C1 1653726399 ZHYHGBGQWJMPDU-UHFFFAOYSA-N 312.282 -0.778 5 10 DBBE COCCN1CCN(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1731357985 PRSMKMXAYCUJNB-CHWSQXEVSA-N 314.386 -0.578 5 10 DBBE Cc1[nH]c(=N)[nH]c(=NCC2(C)CS(=O)(=O)C2)c1[N+](=O)[O-] 2152862090 RFZANUVTGRPLMF-UHFFFAOYSA-N 301.328 -0.626 5 10 DBBE NC[C@H]1COC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2154121259 XYANSSDBNJHXSJ-IONNQARKSA-N 302.312 -0.758 5 10 DBBE Nc1cc(N2CCC[C@H](S(N)(=O)=O)C2)ncc1[N+](=O)[O-] 2165858245 LWFXWOJMPKWDSN-ZETCQYMHSA-N 301.328 -0.171 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](F)C2CNC2)cn1 2169212510 ZNNLIUJNTMXECX-SECBINFHSA-N 304.303 -0.174 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1NC[C@@H](O)[C@@H]1O 2201148537 HNGMHDGWBUCHBG-BBBLOLIVSA-N 301.686 -0.120 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1Nc1ncc([N+](=O)[O-])c(=N)[nH]1 2207472800 YZXVRFZUMHSLMX-VDTYLAMSSA-N 303.300 -0.979 5 10 DBBE COc1nccc(NCC2(O)CS(=O)(=O)C2)c1[N+](=O)[O-] 2288658720 FXZKBYGHQYLVLO-UHFFFAOYSA-N 303.296 -0.430 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NCCNS(C)(=O)=O 44024875 XBBQMDASZVGPLL-UHFFFAOYSA-N 302.312 -0.423 5 10 DBBE Nc1cc(S(=O)(=O)N2CCOC[C@@H]2CO)ccc1[N+](=O)[O-] 168913985 APVQDGRCSWSLPN-QMMMGPOBSA-N 317.323 -0.441 5 10 DBBE COC(=O)[C@@H](O)CNC(=O)c1cc(Cl)ncc1[N+](=O)[O-] 227048586 GQSDTMGUBOCWFI-ZETCQYMHSA-N 303.658 -0.093 5 10 DBBE Cn1nnnc1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] 591757662 WGXYQRNOMXIRLE-SNVBAGLBSA-N 322.325 -0.310 5 10 DBBE CC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593609080 PKWBEPLLEGYYFK-SECBINFHSA-N 314.323 -0.111 5 10 DBBE Cc1[nH]nc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)c1[N+](=O)[O-] 595282316 PORFVQSZYKBBOM-JMCQJSRRSA-N 310.266 -0.200 5 10 DBBE Cn1c(C(=O)NC[C@]2(OCCO)CCOC2)ccc1[N+](=O)[O-] 597992234 BOSRRCRRUUFLIX-CYBMUJFWSA-N 313.310 -0.169 5 10 DBBE Cc1nc(N)nc(N2CC[C@@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] 707429156 QVKCPHKZEDRAOF-ZCFIWIBFSA-N 302.316 -0.857 5 10 DBBE CCN(CCS(C)(=O)=O)c1ncnc(NN)c1[N+](=O)[O-] 708429815 MRSDLVFMZKHZKH-UHFFFAOYSA-N 304.332 -0.459 5 10 DBBE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 839763906 VVCGWSCUVCUUNV-IVZWLZJFSA-N 305.356 -0.466 5 10 DBBE C[C@H](CS(=O)(=O)N(C)C)OC(=O)Cn1cc([N+](=O)[O-])cn1 861154931 HUOHKCUFIIKSCC-MRVPVSSYSA-N 320.327 -0.386 5 10 DBBE C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 1116883081 IXOVGLRAUVNDNT-UWCLWIGYSA-N 301.328 -0.446 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCN1CCCO 1141311631 LSJIZDRVUYXETN-SNVBAGLBSA-N 312.330 -0.851 5 10 DBBE CN(CCNC(=O)Cn1ncnn1)Cc1ccc([N+](=O)[O-])cc1 1266274997 JKUCNAMUXUTYDS-UHFFFAOYSA-N 319.325 -0.171 5 10 DBBE COCc1noc(CN(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1317447796 HSGUMNMQTUZWLV-RKDXNWHRSA-N 313.314 -0.571 5 10 DBBE C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C 1444422462 XRLXAVFJXSORKN-SKDRFNHKSA-N 322.369 -0.064 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2nc[nH]n2)CC1 1557257715 UHYVZAACXJUWAE-UHFFFAOYSA-N 306.286 -0.591 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ccn(C)n1 1720480434 OGFOTAZBBSAIGI-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE CN1[C@@H](CN=c2[nH]c(Cl)ncc2[N+](=O)[O-])CCS1(=O)=O 2145345846 FXSSBNFWHBQLGN-ZCFIWIBFSA-N 321.746 -0.094 5 10 DBBE O=[N+]([O-])c1cnc(F)[nH]c1=NC1CC2(C1)CS(=O)(=O)C2 2152031914 XSARPYYNYQWCLH-UHFFFAOYSA-N 302.287 -0.065 5 10 DBBE CCN=c1ccc([N+](=O)[O-])c(N[C@H](C)CS(N)(=O)=O)[nH]1 2152953875 NASQOCUJJUOTGE-SSDOTTSWSA-N 303.344 -0.068 5 10 DBBE CS(=O)(=O)c1cccc(NC[C@@H](O)C(=O)O)c1[N+](=O)[O-] 2176870293 FHDJBNKYKWNJAW-SSDOTTSWSA-N 304.280 -0.144 5 10 DBBE O=Cc1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1 2177849897 PDOJFGHIXOWOKK-MWLCHTKSSA-N 300.292 -0.023 5 10 DBBE C[P@]1(=O)C[C@H](O)[C@@H](N=c2cc([N+](=O)[O-])cc(NN)[nH]2)C1 2177956156 PZXLNUYHMXCFEB-DDIDRBJESA-N 301.243 -0.155 5 10 DBBE Cc1nn(C[C@H](O)CNC[C@@](C)(O)CO)c(C)c1[N+](=O)[O-] 90288489 WXYOFWCDNMKOEA-ZYHUDNBSSA-N 302.331 -0.898 5 10 DBBE O=C(CO)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 301988281 ZZDNWOILWPGGHA-UHFFFAOYSA-N 306.282 -0.722 5 10 DBBE COC(=O)[C@@H](CCF)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 593803323 IUYBUDNVTRTLOK-SECBINFHSA-N 315.257 -0.226 5 10 DBBE CN(C)S(=O)(=O)CCCOC(=O)c1nn(C)cc1[N+](=O)[O-] 774536777 KUENPMXESOXUCR-UHFFFAOYSA-N 320.327 -0.233 5 10 DBBE COC1([C@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)CCOCC1 1130015988 NCTGQERVVNZIII-VIFPVBQESA-N 313.314 -0.113 5 10 DBBE CCOC(=O)c1ccnc(N2C[C@@H](O)[C@H](CO)C2)c1[N+](=O)[O-] 1163472138 FHJRHBWJBCJPEP-WCBMZHEXSA-N 311.294 -0.044 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnns1 1296301487 UUCNOKJRFDWUQP-HTQZYQBOSA-N 313.339 -0.218 5 10 DBBE COCC[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC 1324677513 RAJWKIKEDWJAEU-ZETCQYMHSA-N 300.271 -0.364 5 10 DBBE NCCCOCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1331739682 UDNSPYBBXXVSTR-UHFFFAOYSA-N 324.337 -0.307 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCc2nnnn2CC2CC2)n1 1342840777 GGNRAKCAYAONSU-UHFFFAOYSA-N 306.286 -0.345 5 10 DBBE COCCN1C[C@@H](C(=O)Nc2c([N+](=O)[O-])ncn2C)CC1=O 1460049440 JRRQSZCGNSLTQL-QMMMGPOBSA-N 311.298 -0.238 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCN(C)CC(=O)OC)n1 1566431982 DBXSKMCWSRQVHX-UHFFFAOYSA-N 313.314 -0.354 5 10 DBBE CONC(=O)CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1585638324 HCNZOFJUAMLSSD-LLVKDONJSA-N 322.277 -0.118 5 10 DBBE CC(C)(O)[C@H](O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1625404255 SXASMFNJIUNVGJ-GFCCVEGCSA-N 324.337 -0.230 5 10 DBBE COC(=O)N1CC(C)(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1651990443 UOXSLQQWAZUYPW-UHFFFAOYSA-N 324.293 -0.287 5 10 DBBE CC(=O)NCCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1 1859150908 WLDPITKVXRUYEK-UHFFFAOYSA-N 308.294 -0.423 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NCCCNS(=O)(=O)C1CC1 2159181144 RYRMUIPPCYKDQR-UHFFFAOYSA-N 304.332 -0.971 5 10 DBBE N=c1ccc([N+](=O)[O-])c(NCCNS(=O)(=O)C(F)F)[nH]1 2159555707 AONUQYTZKADUJO-UHFFFAOYSA-N 311.270 -0.044 5 10 DBBE C[P@]1(=O)C[C@H](O)[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 2177807637 CRYHFOXGVRLWJO-DDIDRBJESA-N 302.227 -0.357 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCS(=O)(=O)[C@H](C(=O)O)C1 2197721831 DTSNYTJFWSDAHE-ZETCQYMHSA-N 304.284 -0.984 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNC[C@H](F)C2)cn1 2234651987 RZJOQRVKZRVHRJ-HTQZYQBOSA-N 304.303 -0.032 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N=c2nc[nH]s2)c1 2240954134 QGRHKBWDFBMCIR-UHFFFAOYSA-N 316.324 -0.045 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCOC2CNC2)cn1 2362240435 PIOIHBFVLPXEKE-UHFFFAOYSA-N 302.312 -0.744 5 10 DBBE COCCN1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 48428491 AWWLHCGWCOENIO-UHFFFAOYSA-N 311.342 -0.028 5 10 DBBE CS(=O)(=O)CCNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50620691 OKUBVDDAXVMUAC-UHFFFAOYSA-N 323.352 -0.500 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H](CN(C)C)C1 116783511 JSPBUODAQKRFDZ-NSHDSACASA-N 311.342 -0.111 5 10 DBBE COCCN1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1=O 190785077 CKJJOGVBHLUIDT-UHFFFAOYSA-N 311.342 -0.028 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 229363752 OEODKNNTZJQTHV-SSDOTTSWSA-N 300.296 -0.656 5 10 DBBE Cc1nn(C)c(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] 347987904 YETZQDXLHGULSN-UWVGGRQHSA-N 309.326 -0.208 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C(=O)OC[C@@H]2C1 374554762 WCOQPNKCXSQTQI-QMMMGPOBSA-N 307.266 -0.271 5 10 DBBE O=C1NCC2(CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)O1 496299806 CGAGEVJFMCVZHF-UHFFFAOYSA-N 320.261 -0.146 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](O)C[C@H]2C1 594603746 MVRFIXRBTPOSMG-VHSXEESVSA-N 307.310 -0.656 5 10 DBBE C[C@H]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CS1(=O)=O 598191136 HRTKQICNUXAHST-IUCAKERBSA-N 316.339 -0.127 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCOC[C@@H]1CCO 758596902 LJHPHZSHGXSVBZ-JTQLQIEISA-N 313.314 -0.416 5 10 DBBE C[C@H]1[C@@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[S@]1=O 1116883078 IXOVGLRAUVNDNT-SMPFOWEGSA-N 301.328 -0.446 5 10 DBBE CC(F)(F)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1179275113 WUYKTUWFKRCBMP-UHFFFAOYSA-N 318.284 -0.014 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@]1(F)CCS(=O)(=O)C1 1265981697 ASHCBJQYPGTYGB-SNVBAGLBSA-N 320.302 -0.566 5 10 DBBE COc1cncc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1274014670 BLJQAIZHWLDWKU-JGLYPNHGSA-N 321.337 -0.088 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCO[C@@H](CS(C)(=O)=O)C1 1307219956 AWVNQMXYEUXTRN-MRVPVSSYSA-N 304.328 -0.422 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@@H]2CCCCO2)n1 1331716594 ONRCHZXIBLOOQP-QMMMGPOBSA-N 318.311 -0.298 5 10 DBBE C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C 1333734163 ATSDFRHERQDQQJ-VHSXEESVSA-N 310.358 -0.308 5 10 DBBE COCCNC(=O)CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1538771234 RITDGEKSNLMKLN-UHFFFAOYSA-N 305.678 -0.536 5 10 DBBE CC(C)(CCC(=O)NC1(CS(C)(=O)=O)COC1)[N+](=O)[O-] 1617136006 YWDUNEQLILMMJU-UHFFFAOYSA-N 308.356 -0.248 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](O)Cn1ccnn1 1642306114 YUYCIZSNUJRUNT-JTQLQIEISA-N 306.282 -0.319 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCS(=O)(=O)[C@@H](C)C1 1648866723 NGSJRQKMGKLETF-QMMMGPOBSA-N 316.339 -0.255 5 10 DBBE Cn1cncc1C(=O)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1737889011 QKEOJGBMPKFMNK-GHMZBOCLSA-N 321.337 -0.194 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NCC(C)(C)NS(C)(=O)=O)[nH]1 2239231434 NVNBRJXVZFXNRZ-UHFFFAOYSA-N 305.360 -0.027 5 10 DBBE CCCc1ncc([N+](=O)[O-])c(=NCCNS(C)(=O)=O)[nH]1 2286716518 LXJDOWZVVYEXQG-UHFFFAOYSA-N 303.344 -0.280 5 10 DBBE O=Cc1ccc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@H]2O)c1 50517494 AZCNXLJPGOTXCX-KOLCDFICSA-N 301.276 -0.056 5 10 DBBE CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO)CCO 50669676 FVSJUDBJHVKISJ-UHFFFAOYSA-N 319.339 -0.388 5 10 DBBE Nc1cccc(S(=O)(=O)N2CCS(=O)CC2)c1[N+](=O)[O-] 126950902 HCLRDAOQEWXSCP-UHFFFAOYSA-N 319.364 -0.070 5 10 DBBE C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1NN)[S@](C)=O 312199180 BSLTUQUQEXMGIJ-ZFFJSCCISA-N 301.328 -0.228 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@](O)(C(N)=O)C2)c1 320412090 WOFGESGJMNGYJP-ZDUSSCGKSA-N 309.278 -0.192 5 10 DBBE CN1CC[C@@H]2OCCN(C(=O)c3c([N+](=O)[O-])cnn3C)[C@@H]2C1 408040115 CZSSZWDQWZJGDK-MNOVXSKESA-N 309.326 -0.127 5 10 DBBE COC(=O)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccnn1C 592702405 QSARTAILZRDBAP-LLVKDONJSA-N 322.281 -0.445 5 10 DBBE C[C@H]1CN(C(=O)COC(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 772056693 JBBKJNQEXBLSFJ-QMMMGPOBSA-N 312.282 -0.268 5 10 DBBE Cn1nccc1[C@@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 1327252720 UUKLHSKRTZIGLI-JTQLQIEISA-N 321.297 -0.480 5 10 DBBE Cn1cc([N+](=O)[O-])c(-c2nc(CCS(C)(=O)=O)no2)n1 1353965332 YQWCXZIVYRFAAW-UHFFFAOYSA-N 301.284 -0.035 5 10 DBBE Cn1ccc(CN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O 1472956142 RCICIFYSWNJQMD-CHWSQXEVSA-N 320.349 -0.305 5 10 DBBE CN1CCO[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1=O 1540836572 BNXXFOVYQCWCSP-GFCCVEGCSA-N 322.321 -0.020 5 10 DBBE COC(=O)[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 1559265396 OCOBBQPORUCWSX-ZDUSSCGKSA-N 309.278 -0.192 5 10 DBBE C[C@H](CS(C)(=O)=O)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1633507459 CBJNJSPWIVCOTN-MRVPVSSYSA-N 317.323 -0.694 5 10 DBBE CN1CCN(CC2CN(C(=O)c3c([N+](=O)[O-])cnn3C)C2)CC1 1637487552 MYEJRWZZMPOZSA-UHFFFAOYSA-N 322.369 -0.352 5 10 DBBE CCCOCC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1688098112 WGOJMELGEMTDOU-HMUNZLOLSA-N 311.338 -0.349 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Br)c1=NC1(CO)CNC1 1918431122 KVWUCUVYFCKAJY-UHFFFAOYSA-N 303.116 -0.080 5 10 DBBE NC[C@H](Oc1ncc(Br)cc1[N+](=O)[O-])C(N)=O 2007459960 TXWQZEBNHCICIL-LURJTMIESA-N 305.088 -0.056 5 10 DBBE O=C(O)[C@@H]1CCN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)O1 2153375957 VGSKCMRDQOJZQA-QMMMGPOBSA-N 303.252 -0.231 5 10 DBBE NS(=O)(=O)c1cn(CCCc2ncno2)nc1[N+](=O)[O-] 2156822040 XUXCPVOOQNDTEF-UHFFFAOYSA-N 302.272 -0.546 5 10 DBBE C[C@H]1[C@H](O)CN1S(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 2182522733 HSYFHIQMQOJVTQ-IMTBSYHQSA-N 302.312 -0.366 5 10 DBBE NC[C@H](O)CNS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235872675 DRUJESSFKNLKTL-YFKPBYRVSA-N 311.266 -0.529 5 10 DBBE Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)NCCNC(N)=O 147419555 KBIWSQOCQGGUFX-UHFFFAOYSA-N 317.327 -0.568 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] 229363534 KIQHECSAKZVZAU-BYPYZUCNSA-N 306.325 -0.595 5 10 DBBE CNS(=O)(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC1 340855808 WZXJBAVUYLVUTC-UHFFFAOYSA-N 301.328 -0.424 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCO[C@H]2CNC[C@H]21 366981499 KPKPPWPRPVLCJT-MNOVXSKESA-N 313.335 -0.044 5 10 DBBE CNc1nccc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] 563408281 RLYZMXROGKXPEM-PSASIEDQSA-N 310.310 0.253 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1CC(CN2CCOCC2)C1 590391500 DJBKHJAHQJSPPZ-UHFFFAOYSA-N 323.353 -0.028 5 10 DBBE CNC(=O)[C@@H]1CCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] 594259956 OSTUYUMNSNZLOL-VIFPVBQESA-N 307.310 0.382 5 10 DBBE O=[N+]([O-])c1ccn(CCN2CCN(c3nccnn3)CC2)n1 599509228 ARIBITKFWHKMQZ-UHFFFAOYSA-N 304.314 -0.202 5 10 DBBE O=C(N=S1(=O)CCNCC1)c1cc([N+](=O)[O-])cnc1O 712149631 WDZIGJQDNSGCDK-UHFFFAOYSA-N 300.296 -0.093 5 10 DBBE O=C1OC[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@@H]12 858306149 JDPPRQQVXZJNAP-PSASIEDQSA-N 309.282 -0.394 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NCCC1CS(=O)(=O)C1 1128139297 YVQWPNWPLQECTB-UHFFFAOYSA-N 302.312 -0.658 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(CO)(CO)C1 1168267412 MLTGRWHEDHEHSU-UHFFFAOYSA-N 312.326 -0.307 5 10 DBBE CN(CCN(C)C(=O)C12CCN(CC1)C2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357216951 UMLOQBTWAYCHFC-VXGBXAGGSA-N 324.381 -0.336 5 10 DBBE NC(=O)[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 1464562249 VRABFEPYFLMDCL-WDEREUQCSA-N 309.278 -0.659 5 10 DBBE CS(C)(=O)=NC(=O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 1557125534 IBMSFCHQTONSEL-UHFFFAOYSA-N 303.300 -0.838 5 10 DBBE C[C@]1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC(=O)N1 1625995414 MNLPEKHBFNIZNN-CYBMUJFWSA-N 308.294 -0.459 5 10 DBBE O=C1OCC[C@@]12CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 1660694148 LJFYOXTUWBZXOV-DGCLKSJQSA-N 310.310 -0.209 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(CNCCCF)CC1 1717318608 CKDDODLCIGBAIK-GHMZBOCLSA-N 303.334 -0.046 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 1914979964 LKFNWJGGIYSXJQ-UHFFFAOYSA-N 303.271 -0.153 5 10 DBBE NS(=O)(=O)NCCCN=c1[nH]cnc(Cl)c1[N+](=O)[O-] 2101330883 FPEZZGRNUZCVSX-UHFFFAOYSA-N 310.723 -0.945 5 10 DBBE C[S@@](=O)(CCC(=O)O)=NC(=O)Cn1ccc([N+](=O)[O-])n1 2157206850 SQXYACFMGFSJTJ-HXUWFJFHSA-N 304.284 -0.110 5 10 DBBE N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 2168119493 PYHFTCVRFVYOMP-SCZZXKLOSA-N 301.324 -0.323 5 10 DBBE C[C@H]1C(=O)NC(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 97294877 MUCGLKVUEDJIMC-ZETCQYMHSA-N 313.291 -0.370 5 10 DBBE NS(=O)(=O)CCCNc1nc(C(=O)O)ccc1[N+](=O)[O-] 166737892 KDPXHCJXALHPIM-UHFFFAOYSA-N 304.284 -0.222 5 10 DBBE COCC[C@@H](COC)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 355759774 XGFOIPXROWCUCY-JTQLQIEISA-N 313.310 -0.076 5 10 DBBE CN1C[C@H]2CCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])[C@H]2C1 599312780 WVICXWYIFLQROO-BDAKNGLRSA-N 315.355 -0.347 5 10 DBBE CN(C[C@H]1CCCS1(=O)=O)c1ncnc(N)c1[N+](=O)[O-] 693991421 MHLTWDIRRKYQDT-SSDOTTSWSA-N 301.328 -0.020 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2CO)cn1 698134293 ADPADKXBSDHOLV-HTQZYQBOSA-N 303.296 -0.894 5 10 DBBE N[C@@H]1COCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 725373915 AYHGQAVTQUYQDO-VIFPVBQESA-N 301.324 -0.057 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCc2c(nnn2C)C1 1130236241 TWKWXHUNKJUDLN-VIFPVBQESA-N 319.325 -0.098 5 10 DBBE CCOC(=O)COCCNC(=O)c1c([N+](=O)[O-])cnn1C 1158413776 ZTMQFVRUEURCDG-UHFFFAOYSA-N 300.271 -0.362 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@@H](O)[C@@H](CO)C1 1261580743 YSDVYQIHMQPGAB-PSASIEDQSA-N 317.323 -0.646 5 10 DBBE C[C@@H](CN1CCN(C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1319873827 SXBYMSHUMQRLDH-JTQLQIEISA-N 310.358 -0.306 5 10 DBBE CCn1cnc2c1CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 1472037239 JXSGEJCGFOSULO-UHFFFAOYSA-N 305.298 -0.012 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CCC(O)CC1 1472785183 ROSLLCUIEBECDZ-UHFFFAOYSA-N 309.326 -0.043 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CC(N[C@H]2CCOC2)C1 1612978896 CRUDJBAYGGRDPL-QMMMGPOBSA-N 307.310 -0.344 5 10 DBBE O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc2n(n1)CCC2 1720273331 VBPFICRIBVQCLZ-ZYHUDNBSSA-N 321.337 -0.269 5 10 DBBE CCCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1731423447 ROUILQYDDWYFMZ-YVECIDJPSA-N 324.381 -0.147 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](F)[C@H](O)C1 2149265849 FKGWBAGQZRQDST-IMTBSYHQSA-N 305.287 -0.120 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(c2cc([N+](=O)[O-])cc(=N)[nH]2)C1 2170673112 HDYWVMSCYISINA-MRVPVSSYSA-N 301.328 -0.470 5 10 DBBE C[C@H](O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2174119252 OQQFZQZSRHGIFT-RCOVLWMOSA-N 308.287 -0.246 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](CO)C2)c1 165827155 OODFKMNFMYTNFJ-QMMMGPOBSA-N 316.339 -0.117 5 10 DBBE NC(=O)[C@]1(O)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 319276981 FQMDTIYQOJCMAG-ZDUSSCGKSA-N 309.278 -0.578 5 10 DBBE CNc1nccc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)OC)c1[N+](=O)[O-] 598009554 JKGNWLFMWUAUPJ-SCZZXKLOSA-N 324.293 0.092 5 10 DBBE COC(=O)C12CC(CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 598059118 PBQVKJPQSRGCOJ-UHFFFAOYSA-N 321.289 -0.080 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CNC[C@H]2O)c1 702791887 TVJCHGLLSVMXFO-LDYMZIIASA-N 301.324 -0.547 5 10 DBBE N[C@H]1CCOC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 721893479 XVJMFTOBMSMZQP-QWRGUYRKSA-N 301.324 -0.011 5 10 DBBE CCn1cc(S(=O)(=O)NCC[S@](=O)CC)c([N+](=O)[O-])n1 754804661 JDDRANMRBGLALX-LJQANCHMSA-N 324.384 -0.142 5 10 DBBE O=C(Cc1ncc[nH]1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1285958798 NGCBEWUEOHNDKV-RKDXNWHRSA-N 307.310 -0.618 5 10 DBBE O=C(NCCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 1352631638 YEBJVVGXCUKUNY-CHWSQXEVSA-N 324.381 -0.288 5 10 DBBE CN(C)c1ccnc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 1439292689 XUBREHRDNIUTQQ-UHFFFAOYSA-N 305.298 -0.036 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(N2CC[C@@H](O)C2)CC1 1470287378 XFCNJSMOTMOBIJ-LLVKDONJSA-N 324.341 -0.756 5 10 DBBE CNS(=O)(=O)C1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 1559199925 MCEXNHJHWLPZAR-UHFFFAOYSA-N 303.344 -0.154 5 10 DBBE CN(CC(N)=O)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 1624506896 HHRQSRUOHBQUJK-UHFFFAOYSA-N 318.293 -0.208 5 10 DBBE CNC(=O)CN(CC(=O)NC)Cc1cc(O)ccc1[N+](=O)[O-] 1648230896 NXCQVGYPBOJOOJ-UHFFFAOYSA-N 310.310 -0.406 5 10 DBBE CN1CCN(C(=O)C2CN(c3ncccc3[N+](=O)[O-])C2)CC1=O 1852977871 HHLHLTXJELOIBI-UHFFFAOYSA-N 319.321 -0.273 5 10 DBBE CN1C[C@H](O)[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 2146512301 AWWZFDGOSXAIOK-SCZZXKLOSA-N 301.324 -0.452 5 10 DBBE CN(CCN(C)S(C)(=O)=O)c1nccc(N)c1[N+](=O)[O-] 2146922810 GSCBQJKFYBNSJO-UHFFFAOYSA-N 303.344 -0.100 5 10 DBBE Nc1cc(S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)ccc1[N+](=O)[O-] 2149265846 FIZBFZPWDKHZJU-XVKPBYJWSA-N 305.287 -0.120 5 10 DBBE O=C(O)[C@@H](Cc1ncns1)NC(=O)N1CC([N+](=O)[O-])C1 2191517614 YVQWQPPXIQNFRV-ZCFIWIBFSA-N 301.284 -0.796 5 10 DBBE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)c1csc([N+](=O)[O-])c1 2200851941 OABZKGXXMZJROW-DTLFHODZSA-N 302.264 -0.713 5 10 DBBE Cc1c([N+](=O)[O-])c(=NCCNS(=O)(=O)C(F)F)[nH]n1C 2207486367 VYNBQQHDHJYKPV-UHFFFAOYSA-N 313.286 -0.387 5 10 DBBE NS(=O)(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 40384195 OILGXJKRXKATBO-UHFFFAOYSA-N 309.325 -0.838 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N(CCO)CCO)c1 40751803 OJODCGUKEFCOHH-UHFFFAOYSA-N 308.287 -0.291 5 10 DBBE CCCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50657838 VFIDBORAHTXFKP-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1cc(NN)ccc1[N+](=O)[O-] 51129006 UDNZXSYVQYWQLA-UHFFFAOYSA-N 317.327 -0.841 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F 136254790 HVAHKZWQBFHVBY-RXMQYKEDSA-N 320.302 -0.142 5 10 DBBE Nc1ccc([N+](=O)[O-])c(N2CCS(=O)(=O)[C@H](C(=O)O)C2)c1 263032773 HKBMHJBZKOBPEB-JTQLQIEISA-N 315.307 -0.135 5 10 DBBE COc1cc(OCC(=O)NC2=NCC(=O)N2)ccc1[N+](=O)[O-] 519992297 ACCMSUNWEYRFTG-UHFFFAOYSA-N 308.250 -0.416 5 10 DBBE CCN1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1=O 594779643 XFVCYJOPUPCHMN-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1C(=O)O 600654210 UZLJPQGWPVVHIJ-HTRCEHHLSA-N 318.311 -0.188 5 10 DBBE CN(C)C[C@H](CO)NS(=O)(=O)c1cncc([N+](=O)[O-])c1 716778433 KHAOYAATARMZGW-MRVPVSSYSA-N 304.328 -0.809 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 1116419589 BMWQNSODRQKJIE-NXEZZACHSA-N 309.326 -0.079 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCN2C(=O)CNC2=O)n1 1126054478 LAIHNNLGBRNVBT-UHFFFAOYSA-N 310.270 -0.907 5 10 DBBE CC(C)NC(=O)[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1299372139 YLRGYMAFZAQZOZ-VIFPVBQESA-N 310.310 -0.214 5 10 DBBE O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1C[C@@H](O)[C@H](CO)C1 1570214636 QXIVUEXWKPXFBB-GZMMTYOYSA-N 324.289 -0.209 5 10 DBBE COCCNC(=O)C1(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1584474823 IMYWINOWECOUNL-UHFFFAOYSA-N 311.298 -0.647 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 1632871739 KSNIURGGXDJNBO-ONGXEEELSA-N 323.309 -0.552 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 1637479556 GZZSHFNJTXOMKR-JGVFFNPUSA-N 314.323 -0.175 5 10 DBBE COc1ncccc1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704202108 AKZYMJRAEUFNRN-GHMZBOCLSA-N 322.321 -0.056 5 10 DBBE N[C@@H]1COC[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2149990005 YMVAYGNSACOUBL-NXEZZACHSA-N 301.324 -0.260 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1Cc1cn(C)cn1 2151451084 AYBUGXIIWCEJQX-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE NS(=O)(=O)NCCNc1c(C(=O)O)cccc1[N+](=O)[O-] 2157526223 UIBJPIGPBOISOO-UHFFFAOYSA-N 304.284 -0.502 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1N 2179201474 IITFXJYDVVMJTP-SCZZXKLOSA-N 301.324 -0.059 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1NC[C@H](O)[C@@H]1O 2201148536 HNGMHDGWBUCHBG-AEJSXWLSSA-N 301.686 -0.120 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)c2c[nH]c(=N)s2)n1 2240631829 DBXYIEGCLYDJJZ-UHFFFAOYSA-N 318.340 -0.324 5 10 DBBE CNc1nc[nH]c(=NCCS(=O)(=O)C2CC2)c1[N+](=O)[O-] 2290121025 GNPWEBMBGJMEQH-UHFFFAOYSA-N 301.328 -0.163 5 10 DBBE O=C(NCC/N=[N+](\[O-])C(CO)(CO)[N+](=O)[O-])c1ccccc1 59738152 RRFXOBIKDVYIIP-PFONDFGASA-N 312.282 -0.664 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCCc2ncn[nH]2)ccc1O 80624084 IHRWKWQVRXWFPJ-UHFFFAOYSA-N 313.295 -0.061 5 10 DBBE CCOC(=O)[C@@](C)(O)CNc1ccc2ncc([N+](=O)[O-])n2n1 357448318 ZFOJIVVMKIDPEC-LBPRGKRZSA-N 309.282 0.364 5 10 DBBE C[C@@H](O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 593606806 CAOKWBHZHMKBMM-SCZZXKLOSA-N 317.323 -0.240 5 10 DBBE CN1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599207061 OWIXDSCTOGKPBF-UHFFFAOYSA-N 303.344 -0.346 5 10 DBBE O=C(c1cc(O)ccc1[N+](=O)[O-])N(CCO)CCOCCO 600118101 YJUBVEUJVNNCOW-UHFFFAOYSA-N 314.294 -0.256 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN2C[C@H](O)C[C@H]2C1 1144246808 VJJGUUSTMXAOHX-WDEREUQCSA-N 309.326 -0.623 5 10 DBBE CC(C)(CNS(C)(=O)=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 1584934709 QCPSXJYOSDUMGV-UHFFFAOYSA-N 319.343 -0.765 5 10 DBBE C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1nncn1C 1625750970 HSCLFJHCBPWQSH-MRVPVSSYSA-N 306.282 -0.238 5 10 DBBE COCC1(C(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)CC1 1758751114 UGNFWTHNHPENBS-ZIQFBCGOSA-N 323.349 -0.349 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 2170580763 DQMFSKIEZBNOHS-SSDOTTSWSA-N 301.328 -0.300 5 10 DBBE CN(C)S(=O)(=O)C1CN(c2cc([N+](=O)[O-])cc(=N)[nH]2)C1 2187313541 BROYKYUTCAXLBJ-UHFFFAOYSA-N 301.328 -0.518 5 10 DBBE Cc1cc(=N[C@@H]2COC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])c[nH]1 2207466342 QVUKELYTEOWAFP-MWLCHTKSSA-N 301.324 -0.056 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@H]2CCCN2)n1 2240628576 YSUDYTYJSCVPSA-MRVPVSSYSA-N 303.344 -0.500 5 10 DBBE NNc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 51088917 RSDYRZAHLWPBCH-MRVPVSSYSA-N 314.323 -0.203 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2C=CS(=O)(=O)C2)c1 88856972 JAQFPEGYQLOUPD-PSASIEDQSA-N 302.312 -0.948 5 10 DBBE Cc1nn(C[C@H](O)CNCC[S@](C)=O)c(C)c1[N+](=O)[O-] 158075135 CYECAFZMYRWEBL-CFMSYZGJSA-N 304.372 -0.263 5 10 DBBE CN(c1nc(NN)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 159223336 GBMBDJSBWMKPLY-SSDOTTSWSA-N 301.328 -0.101 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(c2cccnn2)CC1 195377343 NZECUDXMWCMVPR-UHFFFAOYSA-N 317.309 -0.070 5 10 DBBE O=C(O)COCCNS(=O)(=O)c1cncc([N+](=O)[O-])c1 312527908 VBTXQSJHSMRYIP-UHFFFAOYSA-N 305.268 -0.631 5 10 DBBE N[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)O 323295622 MVAKAAYWHFWZNU-ZCFIWIBFSA-N 307.259 -0.576 5 10 DBBE CS(=O)(=O)C1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594782947 UJXCUAKUYLHBKC-UHFFFAOYSA-N 321.336 -0.593 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)CN1 599099831 DJJCJIDITLSYKT-YUMQZZPRSA-N 303.344 -0.301 5 10 DBBE COC(=O)CN(C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599252683 XLFSISOCFUNSGX-UHFFFAOYSA-N 318.311 -0.346 5 10 DBBE CN(C)S(=O)(=O)N1CC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 600696783 AIDCRLKNDAWZBB-UHFFFAOYSA-N 317.327 -0.857 5 10 DBBE CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] 610260997 MYVTZEBDYQWJOA-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE CC[S@@](=O)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 768523619 JVGBREBKPMZIHA-HXUWFJFHSA-N 303.344 -0.141 5 10 DBBE CCN(CCNC(=O)c1cnnc(O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581115618 JFWIYQWKZXSHPF-NXEZZACHSA-N 323.309 -0.574 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2174119482 QRBMXCBVIXSAEM-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE O=C1C[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CN1 2186491518 WRATYTOIANYYJN-ZETCQYMHSA-N 300.296 -0.596 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1NCC1(O)CS(=O)(=O)C1 2283074631 WXLBCIKYCCZSTE-UHFFFAOYSA-N 304.328 -0.309 5 10 DBBE COc1nccc(NCCS(=O)(=O)CCO)c1[N+](=O)[O-] 2360905497 YCBYGUOYKMTLAQ-UHFFFAOYSA-N 305.312 -0.183 5 10 DBBE CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC(N)=O 50656350 PKLVHBKEDJHNSP-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE NC(=O)CCCNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F 50660366 CGFRZCMKRQJXOC-UHFFFAOYSA-N 320.302 -0.140 5 10 DBBE Cc1cc([N+](=O)[O-])cn(CC(=O)N[C@@H](C)C(=O)N(C)C)c1=O 155839001 LECXIDKYVCNOQS-VIFPVBQESA-N 310.310 -0.342 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)cc1F 236532079 IJNZKAPNIAQRBR-NXEZZACHSA-N 306.271 -0.540 5 10 DBBE CN(C(CO)CO)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 312550732 JZQMJCWMPZQXMR-UHFFFAOYSA-N 304.324 -0.290 5 10 DBBE COC[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)OC 593575770 KXGDNQQRTOMOIC-VIFPVBQESA-N 305.312 -0.071 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)c1ccc(N)cc1[N+](=O)[O-] 719723643 BZTLCZXEIYUULS-UHFFFAOYSA-N 302.312 -0.463 5 10 DBBE CCN(C(=O)Cn1ncc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 863374996 HICFACCBLKMFDC-QMMMGPOBSA-N 317.327 -0.778 5 10 DBBE CCNC(=O)CN1CCCN(c2nn(C)cc2[N+](=O)[O-])CC1 1162061582 COCLCYLEDUJHOD-UHFFFAOYSA-N 310.358 -0.024 5 10 DBBE O=C1C[C@@]2(CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)CN1 1297198521 HVIQBMIETLMAFX-AWEZNQCLSA-N 320.305 -0.505 5 10 DBBE Cn1cc(C(=O)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 1558629593 FFKAFVWMTIINPL-UHFFFAOYSA-N 319.277 -0.511 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO 1558702412 RHYZLSWQTPSBGM-GHMZBOCLSA-N 323.353 -0.001 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2[C@H]1CCCN2CCO 1603335983 JPTGKOVIHYRAND-WDEREUQCSA-N 324.341 -0.756 5 10 DBBE CNc1ccc(C(=O)N2CC3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] 1648746060 KYDACBPNXYBDBR-UHFFFAOYSA-N 319.277 -0.330 5 10 DBBE Cc1[nH]nc(C(=O)N2CCS(=O)(=O)CCO2)c1[N+](=O)[O-] 1653854218 QQNOVINTSPKGKX-UHFFFAOYSA-N 304.284 -0.571 5 10 DBBE CCN(CCNC(=O)C1=CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688394813 NKMLGNCGRAEYOS-VXGBXAGGSA-N 311.338 -0.037 5 10 DBBE CCn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CN2CCN1CC2 1851089003 MGWSVHIQFZNPMZ-JTQLQIEISA-N 308.342 -0.459 5 10 DBBE O=[N+]([O-])c1nn(C[C@@]2(O)CNC[C@@H]2O)cc1Br 1951004454 SNNSSKINVXPIDT-XPUUQOCRSA-N 307.104 -0.751 5 10 DBBE CS(=O)(=O)[C@H]1CC[C@@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])C1 2145389609 DZYLJJVXMOKCLM-RQJHMYQMSA-N 301.328 -0.403 5 10 DBBE O=C(NCC1(O)CS(=O)(=O)C1)c1ccc([N+](=O)[O-])s1 2267904810 NCSGOLHWUWEDDD-UHFFFAOYSA-N 306.321 -0.454 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC(=O)NC1 111024991 ZMFIVIQRSNFFQZ-ZETCQYMHSA-N 314.323 -0.266 5 10 DBBE CCNc1cc(S(=O)(=O)NCC(N)=O)ccc1[N+](=O)[O-] 131750598 LPABTAAXYMDMMY-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE C[C@@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 132187812 BRJYKXXLYZSZNS-MRVPVSSYSA-N 321.330 -0.017 5 10 DBBE C[C@@H]1CS(=O)(=O)CCN1c1nc(NN)ncc1[N+](=O)[O-] 235293837 QFTSFKBOVUAICD-ZCFIWIBFSA-N 302.316 -0.706 5 10 DBBE N[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)O 323323818 TWOWGBJPAYXOLY-ZETCQYMHSA-N 307.259 -0.576 5 10 DBBE COCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 531878105 ZJIJVOPNLJGHJZ-UHFFFAOYSA-N 308.294 -0.079 5 10 DBBE CN1CC[C@@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594761113 DWEASQYIUUQTBU-SECBINFHSA-N 314.323 -0.159 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCCNC2)n1 599106832 HPCXZJHCNCAODR-QMMMGPOBSA-N 303.344 -0.251 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2=CCOCC2)n1 599319702 HXTQXAHYWZYKKS-UHFFFAOYSA-N 302.312 -0.047 5 10 DBBE COC[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)OC 774739062 BFBNQHWUXUQPCA-SECBINFHSA-N 301.255 -0.087 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnns1 1299125026 YOPVZAFFCVJJGT-RNFRBKRXSA-N 311.323 -0.418 5 10 DBBE C[C@H](C[S@@](C)=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334958360 UEOLCCKJENBAIR-FWCARGHBSA-N 310.357 -0.626 5 10 DBBE COC1(OC)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1O 1452131328 IWFBOILBFOMOBL-QMMMGPOBSA-N 314.298 -0.178 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCC[C@@H]1C=NNC1=O 1642448407 HZRKBHZMSZTETO-SECBINFHSA-N 321.293 -0.615 5 10 DBBE Cn1cc(CN2CCC3(CC2)NC(=O)NC3=O)c([N+](=O)[O-])n1 1645173417 JWYHDXTWNQEIAL-UHFFFAOYSA-N 308.298 -0.498 5 10 DBBE Cc1ncc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 1688325926 WFNZXGZBUQPGIK-ZYHUDNBSSA-N 321.337 -0.053 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=CCOCC1 1747180642 CBXFCLDNKPKXSZ-NUYITTKVSA-N 309.322 -0.213 5 10 DBBE N=C(N)NCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1O 1866115411 HBGIRSWMOUKNRS-QMMMGPOBSA-N 310.314 -0.171 5 10 DBBE COC(=O)[C@H](N)CCn1nc([N+](=O)[O-])nc1Br 1921720126 NULAGUCEQWBLQY-SCSAIBSYSA-N 308.092 -0.161 5 10 DBBE Cc1ccc(S(=O)(=O)NCC[C@H](O)CO)cc1[N+](=O)[O-] 1963059376 OYPLAXIANLDHSP-VIFPVBQESA-N 304.324 -0.075 5 10 DBBE O=[N+]([O-])c1c(Cl)nc[nH]c1=NC[C@@H]1CCS(=O)(=O)N1 2089989112 ADVADJJZXHSGFS-YFKPBYRVSA-N 307.719 -0.436 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@]2(CF)CCNC2)c1 2158308738 WMUUOUUZNVEHJY-SNVBAGLBSA-N 304.303 -0.030 5 10 DBBE NNc1c(Cl)cc(S(=O)(=O)N2CC(O)C2)cc1[N+](=O)[O-] 2232803606 SDMMUMRXLDBNOG-UHFFFAOYSA-N 322.730 -0.101 5 10 DBBE CCCS(=O)(=O)N(C)Nc1ncc([N+](=O)[O-])c(=NC)[nH]1 2365286431 KDRRRFBSXFSSTJ-UHFFFAOYSA-N 304.332 -0.153 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2N)CC1=O 84207760 OOCGMYYGUHQQHO-UHFFFAOYSA-N 314.323 -0.360 5 10 DBBE CCNc1ncnc(NCCS(=O)(=O)NC)c1[N+](=O)[O-] 231029422 HEDXOVCESLNGHN-UHFFFAOYSA-N 304.332 -0.222 5 10 DBBE CCC(CO)(CO)NS(=O)(=O)c1cncc([N+](=O)[O-])c1 312785214 NWQVNAWDWMHSJM-UHFFFAOYSA-N 305.312 -0.599 5 10 DBBE CCn1cc(S(=O)(=O)N2CCNC(=O)CC2)c([N+](=O)[O-])n1 339048967 SVVJYFGTXNBECL-UHFFFAOYSA-N 317.327 -0.678 5 10 DBBE O=C1C[C@]2(CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CN1 408248416 VDRFSWZRUHCJTE-CYBMUJFWSA-N 307.310 -0.080 5 10 DBBE CC(C)(C(=O)O[C@@H]1CCC(=O)NC1=O)n1cc([N+](=O)[O-])cn1 798608840 CHLDEKZBQGYSFZ-MRVPVSSYSA-N 310.266 -0.125 5 10 DBBE CCON(C)C(=O)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 846004449 OMKJFSJQUSAECX-UHFFFAOYSA-N 318.311 -0.322 5 10 DBBE CC(=O)NCC(=O)NCC(=O)OCc1csc([N+](=O)[O-])c1 919508351 QGBSLKLEXQOMNC-UHFFFAOYSA-N 315.307 -0.048 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 941011924 TVGWZDOUKOXBBN-LBELIVKGSA-N 323.349 -0.395 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC(=O)N1CCCC1 1136623686 UKXCAGUTTDWCRN-UHFFFAOYSA-N 308.294 -0.505 5 10 DBBE C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1CS(N)(=O)=O 1157559545 IKDYLTINKKTULZ-SFYZADRCSA-N 316.339 -0.081 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](CO)Cc1ccncc1 1321207379 MMCWMLNCQONRSH-SNVBAGLBSA-N 306.282 -0.699 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CC(CN2CCOCC2)C1 1351013470 UWBNXPIZGHUWLH-UHFFFAOYSA-N 309.326 -0.268 5 10 DBBE O=C(NCCN1CCN(C(=O)CC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1352697831 FKRZIOGQGZDQDT-CHWSQXEVSA-N 324.381 -0.288 5 10 DBBE CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CS(=O)(=O)C1 1460632893 SSFGBLXFAOUMRW-UHFFFAOYSA-N 313.335 -0.078 5 10 DBBE Cc1nnc(N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)n1C 1628168177 FLGDKSKWYLPADU-UHFFFAOYSA-N 320.313 -0.283 5 10 DBBE CS(=O)(=O)c1ccc(C(=O)NOCCO)c([N+](=O)[O-])c1 1634571202 IYCZYZOZQXXLHW-UHFFFAOYSA-N 304.280 -0.348 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](c2ncccn2)C1 1646562348 ISWDMZJWDZMWRT-SECBINFHSA-N 303.282 -0.008 5 10 DBBE CN(C)CC1(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 1705261512 QJLNXEGELIHODW-GHMZBOCLSA-N 324.381 -0.242 5 10 DBBE NS(=O)(=O)C1CN(c2nccc(C(=O)O)c2[N+](=O)[O-])C1 1915001890 SZUVFMZAMHDMKG-UHFFFAOYSA-N 302.268 -0.835 5 10 DBBE COc1nc(=NCCCCS(N)(=O)=O)[nH]cc1[N+](=O)[O-] 2157674753 IBXINQXGHKDYRB-UHFFFAOYSA-N 305.316 -0.704 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@@H]2CCO[C@@H]2C(N)=O)c1[N+](=O)[O-] 2174107388 NYONCSZHBFZTOE-VDTYLAMSSA-N 301.690 -0.177 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CC2(C1)OC[C@@H](O)[C@H]2O 2183723271 YCTWFULATXHCPQ-VXNVDRBHSA-N 300.292 -0.397 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NC[C@H](O)CO)c1F 2235868061 DQGRPIOBJLQGKK-YFKPBYRVSA-N 312.250 -0.496 5 10 DBBE CS(=O)(=O)[C@H]1C[C@H](Cn2cc([N+](=O)[O-])c(O)nc2=O)C1 2285411164 RYTVUHNIBVDTNW-LJGSYFOKSA-N 303.296 -0.320 5 10 DBBE Cc1[nH]ccc(=N[C@@H](CS(C)(=O)=O)C(=O)O)c1[N+](=O)[O-] 2360622867 VAQICFKAYZETAQ-QMMMGPOBSA-N 303.296 -0.370 5 10 DBBE CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302387 SGEBDEWMERGCOS-UHFFFAOYSA-N 314.323 -0.111 5 10 DBBE C[C@@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 131318344 LGFNFKBZEGNEAS-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC(O)(CO)C1 597702303 KBKKGIQONOWRSW-UHFFFAOYSA-N 318.289 -0.040 5 10 DBBE CN1CCC[C@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599223499 MLXAEPKTHBWEMM-QMMMGPOBSA-N 303.344 -0.299 5 10 DBBE COCC[C@@H](COC)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599309491 GMZLQFKKIUNOBO-QMMMGPOBSA-N 322.343 -0.342 5 10 DBBE COC[C@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])OC 599338761 WEQOQKJRFNONBN-QMMMGPOBSA-N 322.343 -0.342 5 10 DBBE NNc1ncnc(N2CCSC[C@H]2CCO)c1[N+](=O)[O-] 689675998 DYHWWCHUKOACED-SSDOTTSWSA-N 300.344 -0.025 5 10 DBBE Nc1ncnc(N2CCC[C@@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] 707384402 IOFZWWYGXBMRLD-ZCFIWIBFSA-N 302.316 -0.776 5 10 DBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)O[C@@H]1CCNC1=O 769949733 KVMGFJQMFFYFNN-SNVBAGLBSA-N 307.262 -0.244 5 10 DBBE O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(C[C@@H](O)CNC2=O)C1 1154867987 WYKTXPROPRZQAY-LLVKDONJSA-N 321.289 -0.377 5 10 DBBE COC(=O)CSCCNC(=O)Cn1cnc([N+](=O)[O-])n1 1318562721 AVYUOHKPFJZQLY-UHFFFAOYSA-N 303.300 -0.791 5 10 DBBE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1319591626 MAVQFIKTRXRECV-ZJUUUORDSA-N 322.321 -0.131 5 10 DBBE CN(CCNC(=O)Cn1ncnn1)c1ccc(F)cc1[N+](=O)[O-] 1487405746 FJMMZRZQCWUXBK-UHFFFAOYSA-N 323.288 -0.027 5 10 DBBE O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@]1(O)CCOC1 1540737008 DYVIVLIEYAGSQH-CQSZACIVSA-N 322.321 -0.210 5 10 DBBE O=C1NC(=O)N2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@H]12 1612190429 YVHXNTKJYHCNQL-LLVKDONJSA-N 324.268 -0.033 5 10 DBBE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1N 1632885948 WATNMOJFYMSRIQ-XCBNKYQSSA-N 309.278 -0.075 5 10 DBBE O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(O)COC1 1634313682 RUBJDHAMRZZSDR-SECBINFHSA-N 308.294 -0.236 5 10 DBBE CN1C(=O)NCC12CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])CC2 1639682862 JYGGAVGCRBVKFR-UHFFFAOYSA-N 322.325 -0.042 5 10 DBBE O=C1NCCC2(CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)O1 1639749273 JBJGIYLJORFKCL-UHFFFAOYSA-N 322.277 -0.533 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(NC2COC2)C1 1652949258 DFQJPSGMJOCNNI-UHFFFAOYSA-N 309.326 -0.311 5 10 DBBE Cc1nc([N+](=O)[O-])c(NCC2CN(S(C)(=O)=O)C2)n1C 1963088412 DWIKNTLMUYNZPT-UHFFFAOYSA-N 303.344 -0.060 5 10 DBBE NC1CN(S(=O)(=O)Nc2ccnc(Cl)c2[N+](=O)[O-])C1 2102762432 KRDWCRMDFLGCDJ-UHFFFAOYSA-N 307.719 -0.057 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NC1C[C@@H]2CS(=O)(=O)C[C@H]2C1 2161133343 RIMIFEJRBXQKCR-RNFRBKRXSA-N 301.328 -0.620 5 10 DBBE C[C@]1(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)COCCO1 2174181152 SBZSQFMAXFMVOS-VIFPVBQESA-N 306.300 -0.756 5 10 DBBE O=[N+]([O-])c1cnc(F)nc1N1CC2(CNS(=O)(=O)C2)C1 2176110095 HJSIGCSNMAGWAR-UHFFFAOYSA-N 303.275 -0.737 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2([C@@H](O)CO)CC2)cc1 2190120071 UGASCKSXVOGRNE-JTQLQIEISA-N 302.308 -0.241 5 10 DBBE CS(=O)(=O)c1ncc(Cl)c(C(=O)N2CC([N+](=O)[O-])C2)n1 2191531620 UOMBOWJWYTYWJB-UHFFFAOYSA-N 320.714 -0.365 5 10 DBBE CN=c1[nH]c(=NCCS(=O)(=O)C(F)F)[nH]cc1[N+](=O)[O-] 2232500698 RXWWNFMFVMDAOW-UHFFFAOYSA-N 311.270 -0.680 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2cccc(NN)c2[N+](=O)[O-])C1 126717062 HBZCKWHMAUDUBO-QMMMGPOBSA-N 315.355 -0.137 5 10 DBBE CCc1[nH]nc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] 594393428 MNOQVKAUZGPYCR-DTWKUNHWSA-N 309.326 -0.229 5 10 DBBE CC(C)[C@@H](CO)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599307467 OASQWWIOORYVQU-MRVPVSSYSA-N 306.344 -0.129 5 10 DBBE CCCCOC(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 858989806 OAULBUGIGLPFLL-UHFFFAOYSA-N 320.327 -0.050 5 10 DBBE CS(=O)(=O)C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 1176598252 LLRIXHNFGJOSTM-SNVBAGLBSA-N 318.355 -0.463 5 10 DBBE CCCn1nnnc1CN(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1267194282 MEYHYQZUGMBGRS-NXEZZACHSA-N 311.346 -0.704 5 10 DBBE CCN(CCNCC(=O)N(C)C(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1268450381 VHARDWWULVWBGS-VXGBXAGGSA-N 314.386 -0.044 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC(CO)(CO)C2)s1 1307206861 HKDKTQMCLIHYCH-UHFFFAOYSA-N 322.364 -0.149 5 10 DBBE O=C1C[C@@]2(CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CN1 1322285532 CIZBSDANNLTDAO-AAEUAGOBSA-N 309.326 -0.636 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 1467810864 GELNXIYFNVUEFF-RYUDHWBXSA-N 323.353 -0.233 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)Cn1ccnn1 1642306128 YUYCIZSNUJRUNT-SNVBAGLBSA-N 306.282 -0.319 5 10 DBBE Cc1nc(C)n(CCNC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1716292999 WDHRQDPIOLHLQA-FGTRRKKMSA-N 322.369 -0.178 5 10 DBBE CN(C)C[C@@H](O)CNC(=O)C(=O)Cc1ccccc1[N+](=O)[O-] 1866062220 HFUNOEMDTKCESE-NSHDSACASA-N 309.322 -0.255 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1(CO)CNC1 1918432729 GEFJHZZBAYYAQK-UHFFFAOYSA-N 301.324 -0.484 5 10 DBBE Cc1nn([C@H]2CCCS(=O)(=O)C2)c(C(N)=O)c1[N+](=O)[O-] 2069806592 KNOITHGGVXWJAF-ZETCQYMHSA-N 302.312 -0.052 5 10 DBBE NC[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2126187467 KAGCNBRCKDHXCU-SSDOTTSWSA-N 309.731 -0.154 5 10 DBBE N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2168120370 RCOHXIIUDYTGQJ-HTQZYQBOSA-N 302.312 -0.928 5 10 DBBE COc1nc(N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)ncc1[N+](=O)[O-] 2174660823 APHMRTMJVULKKG-BDINMYNLSA-N 300.296 -0.152 5 10 DBBE Nc1sc(S(=O)(=O)NC[C@@H]2CCNC2=O)cc1[N+](=O)[O-] 2196757071 ZCWHEOSCIVRDTA-YFKPBYRVSA-N 320.352 -0.347 5 10 DBBE N[C@H](CS(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)O 2286028501 VMKCRHXAFXNSRS-MRVPVSSYSA-N 307.259 -0.113 5 10 DBBE C[C@@H](CN=c1ccn2ncc([N+](=O)[O-])c2[nH]1)S(N)(=O)=O 2295901724 SABAIXZZKORQLY-LURJTMIESA-N 300.300 -0.852 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50654718 FUUJVMALCIJDNY-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE CC(=O)NCCNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50655934 JWUXGZUKFZNCJL-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE COC[C@@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 132376361 BMDVRABZZPGJPR-QMMMGPOBSA-N 319.339 -0.195 5 10 DBBE NCCN1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 170357842 FINYWLDLCYHZDR-UHFFFAOYSA-N 321.337 -0.364 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 532750487 UEOGCFQIDFUAHI-SECBINFHSA-N 314.323 -0.247 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CNC[C@@H]1O 699962681 NCBLZKAPDOISRW-ONGXEEELSA-N 301.324 -0.653 5 10 DBBE CS(=O)(=O)c1cccc(O[C@@H](CN)C(=O)O)c1[N+](=O)[O-] 715433866 FUDKJORDRJBDFZ-ZETCQYMHSA-N 304.280 -0.211 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cn1 1157836999 SRVJHCSQVADGRX-QMMMGPOBSA-N 303.296 -0.875 5 10 DBBE CS(=O)(=O)C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1 1198230113 OLNPRAXADNEXOE-LLVKDONJSA-N 318.355 -0.463 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC(N2CCCC2=O)C1 1304085044 NGLSJBPQDIICIM-UHFFFAOYSA-N 307.310 -0.067 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN[C@@](C)(Cn1cccn1)C(N)=O 1308147512 HRPWYMYWXWKGHL-ZDUSSCGKSA-N 321.341 -0.170 5 10 DBBE CNC(=O)[C@@H](O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 1339024539 KJUSPTOYUVISGR-JTQLQIEISA-N 317.323 -0.879 5 10 DBBE Cn1cc(-c2noc(Cn3ccc(=O)c([N+](=O)[O-])c3)n2)nn1 1339292806 DFLMUSIPSTZCKS-UHFFFAOYSA-N 303.238 -0.017 5 10 DBBE COCCNC(=O)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1440560818 CAZRDLGGCZHXJL-LBPRGKRZSA-N 311.294 -0.493 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1450915014 LIFFOQIZEKJXSQ-VXGBXAGGSA-N 320.305 -0.094 5 10 DBBE CCN(C(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1480203049 DAJRSNRSDHFAFR-LYIQGSDWSA-N 324.381 -0.101 5 10 DBBE NC(=O)N1CC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 1628319851 KCQZLWVUVVQPIM-KOLCDFICSA-N 308.294 -0.103 5 10 DBBE NS(=O)(=O)C1CN(CCOc2cccc([N+](=O)[O-])c2)C1 1646118112 HYIHZZJOPJCHMV-UHFFFAOYSA-N 301.324 -0.054 5 10 DBBE O=C(NC1CN(C(=O)CCCn2cncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1721341985 WTVIQLRXBPHSLD-GHMZBOCLSA-N 322.325 -0.950 5 10 DBBE COCCN(CCNC(=O)C(N)=O)Cc1ccccc1[N+](=O)[O-] 1725756760 VVLSBGHJQVUUSO-UHFFFAOYSA-N 324.337 -0.355 5 10 DBBE NS(=O)(=O)C1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1914969798 NMROMAYDDJCIOS-UHFFFAOYSA-N 321.336 -0.744 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]1CO 2148958991 TWHCBASGHGLSPA-QMMMGPOBSA-N 302.312 -0.364 5 10 DBBE O=C1NOC[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2148980522 GYYORUHOZWLETA-MRVPVSSYSA-N 301.280 -0.556 5 10 DBBE NS(=O)(=O)c1cn(CCCn2cncn2)nc1[N+](=O)[O-] 2156822029 XRHVWSYZZMTNMF-UHFFFAOYSA-N 301.288 -0.880 5 10 DBBE Cc1[nH]c(=NC[C@@H]2NC[C@H](O)[C@H]2O)c(Cl)cc1[N+](=O)[O-] 2233970345 DBUPECYHBNARRY-HGNGGELXSA-N 302.718 -0.521 5 10 DBBE NNc1cc(NC(CO)(CO)CO)c(Cl)cc1[N+](=O)[O-] 2234444359 SECLMDKEJOJHEJ-UHFFFAOYSA-N 306.706 -0.339 5 10 DBBE N[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1O)C(=O)O 2286011337 BROMWHIOCRAZGH-ZCFIWIBFSA-N 305.268 -0.546 5 10 DBBE NNc1ccc([N+](=O)[O-])c(NCCS(=O)(=O)CCO)n1 2360910632 WUKYOBINZACFKU-UHFFFAOYSA-N 305.316 -0.906 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@](C)(O)CO 90287455 BOBJVVSCDNFJHE-NSHDSACASA-N 304.324 -0.075 5 10 DBBE CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 134136944 QVGDJVZCDBFMPS-IUCAKERBSA-N 319.314 -0.001 5 10 DBBE CNC(=O)c1ccc(N2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 319486860 UJOINNGKXWJVIK-CYBMUJFWSA-N 308.294 -0.619 5 10 DBBE C[C@@H]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CS1(=O)=O 598192060 KVTYTLHSWLGOKD-RKDXNWHRSA-N 316.339 -0.127 5 10 DBBE C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1(CO)CC1 599351456 FMJAHAFVOSECLF-SSDOTTSWSA-N 304.328 -0.232 5 10 DBBE O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCC1 600762990 YQFOMWXSZNJROG-QWHCGFSZSA-N 323.353 -0.105 5 10 DBBE NCC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2F)COC1 705642172 MEGGFSFLTNFODW-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@@H]2[C@H]3COC[C@H]32)n1 1329983348 FSUCKLMCNNBHOL-BDINMYNLSA-N 316.295 -0.974 5 10 DBBE NC(=O)c1ncn(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 1523944921 VJSHSBXDATVYGU-UHFFFAOYSA-N 316.277 -0.126 5 10 DBBE COC[C@@H](C(N)=O)N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1556789346 BGUXXSMKTFLNRK-WDEREUQCSA-N 311.294 -0.413 5 10 DBBE O=C(O)[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1 1615977043 JBDLHBVBWPCVJV-OIBJUYFYSA-N 315.307 -0.312 5 10 DBBE O=C(N[C@H]1C[C@H](O)[C@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 1635241567 JFRUHQSKRIMASB-JDBBZGQPSA-N 310.262 -0.063 5 10 DBBE Cc1cncn1CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1747216060 UWEJNFUCIGYEQC-JGLYPNHGSA-N 321.337 -0.355 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1NS(=O)(=O)N1CC(O)C1 1914163565 RDNVWVOZPHJWPN-UHFFFAOYSA-N 308.703 -0.024 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2COC[C@@H]2CO)c1 2146507289 ZENTYTQGDBYMOH-XVKPBYJWSA-N 303.296 -0.725 5 10 DBBE CCOC(=O)[C@@H](N)C[S@@](=O)Cc1nn(C)cc1[N+](=O)[O-] 2195295347 PATNCDXFZXCHJH-SVWIBVJCSA-N 304.328 -0.533 5 10 DBBE Cc1c([N+](=O)[O-])c(=NC[C@@H]2CCS(=O)(=O)N2C)[nH]n1C 2207477010 SOIJSTGTKCZDQO-QMMMGPOBSA-N 303.344 -0.496 5 10 DBBE N[C@H](CS(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)O 2286032654 IMXKQLNSTFVYOE-SSDOTTSWSA-N 307.259 -0.113 5 10 DBBE CNc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1[N+](=O)[O-] 50656756 RGGARMRKJJMCCV-LURJTMIESA-N 302.312 -0.211 5 10 DBBE CNC[C@@H](O)CN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O 52125876 KQJHEFOUCWBFAG-MRVPVSSYSA-N 315.307 -0.680 5 10 DBBE O=C1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)N1 89756243 UIISNZULNNBGHX-SSDOTTSWSA-N 313.291 -0.322 5 10 DBBE CN(C)C(=O)c1ccc(NCCS(N)(=O)=O)c([N+](=O)[O-])c1 212376707 QQUZLQNSXJKRRD-UHFFFAOYSA-N 316.339 -0.003 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2COC[C@@H]2O)c1 323475759 YXAKGVBWQVRQHG-CBAPKCEASA-N 303.296 -0.785 5 10 DBBE C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1CCO 331185857 SYGBHFLNOKDYAW-LLVKDONJSA-N 324.337 -0.719 5 10 DBBE Cn1c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] 342374922 OBCHWOMLIOCRNO-QMMMGPOBSA-N 316.339 -0.303 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1CCn2c(O)nnc2C1 358516201 ITMQDJCRNLWHLE-UHFFFAOYSA-N 307.270 -0.479 5 10 DBBE C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCS1(=O)=O 408197493 JSJMNXYSBQRJRH-MRVPVSSYSA-N 302.312 -0.563 5 10 DBBE CNc1nccc(C(=O)N2CCN(CCO)C[C@H]2C)c1[N+](=O)[O-] 570864649 ZNGGROWTFARIGY-SNVBAGLBSA-N 323.353 0.170 5 10 DBBE CN(CC(=O)N1CCNCC1)C(=O)c1c(N)cccc1[N+](=O)[O-] 576279954 MBQWKSAUOSBMFC-UHFFFAOYSA-N 321.337 -0.319 5 10 DBBE Cc1cc(NC(=O)C(=O)N[C@H]2CCNC2=O)ccc1[N+](=O)[O-] 595071154 QNRQMFLYMLKFSV-VIFPVBQESA-N 306.278 -0.154 5 10 DBBE COC[C@@](C)(O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599240847 KOWUWWQJRJZFBE-VIFPVBQESA-N 308.316 -0.996 5 10 DBBE CCOC(=O)c1ccnc(N2C[C@@H](CO)[C@@H](O)C2)c1[N+](=O)[O-] 1163472140 FHJRHBWJBCJPEP-WPRPVWTQSA-N 311.294 -0.044 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O 1168041189 PLGZLUBPZNTGAJ-APOSLCTFSA-N 304.690 -0.447 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1299144468 SPDHVCQZBGSGFD-RGOKHQFPSA-N 304.324 -0.934 5 10 DBBE CN(C)C(=O)[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1642633909 DPJWLXXOUWZLAD-JTQLQIEISA-N 322.321 -0.307 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@@H]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2161133344 RIMIFEJRBXQKCR-RNLVFQAGSA-N 301.328 -0.620 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N=[S@]1(=O)CC[C@H](CN)C1 2186535114 NUYGGPQRKIZYLT-GLEHDBDLSA-N 301.328 -0.085 5 10 DBBE NCC(CO)(CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2280449431 FAAJBNPGQCHXQJ-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE NCC(CO)(CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2280469250 SNTZOZNZJRWHKK-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE NC(=O)[C@H](N)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 125089167 NMUQEJMYACPFHA-RXMQYKEDSA-N 305.088 -0.668 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@](O)(CO)C1 313791217 JSCZUDGJNIRHHL-NSHDSACASA-N 302.308 -0.287 5 10 DBBE NC(=O)CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1=O 459715319 YSCKTCCPVORIPN-UHFFFAOYSA-N 310.285 -0.137 5 10 DBBE CCOC(=O)C1(O)CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 548938452 WBBVSXJMYFMPSP-UHFFFAOYSA-N 312.282 -0.152 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCCN2CC3)n1 597624805 LNIKDSFTBDYGAG-JTQLQIEISA-N 308.342 -0.552 5 10 DBBE CNCCOCCN(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] 599107940 PNEQDLCAUDUNTF-UHFFFAOYSA-N 318.355 -0.154 5 10 DBBE COC[C@@](C)(CO)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 716856918 VISOVDFDFCZXBD-SNVBAGLBSA-N 305.312 -0.335 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN2C(=O)OC[C@@H]2C1 1137301344 GSKRKGVSJITTGZ-VIFPVBQESA-N 309.282 -0.237 5 10 DBBE CC(C)(C(=O)N[C@H](CO)Cc1cnc[nH]1)n1cc([N+](=O)[O-])cn1 1152490320 QGOXIIXZOTYZBU-JTQLQIEISA-N 322.325 -0.031 5 10 DBBE CCN(CCCNC(=O)c1cnon1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1352324047 VTCWTKAMLYFVOJ-PSASIEDQSA-N 311.298 -0.297 5 10 DBBE CCOC[C@H](C(=O)OC)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] 1596154105 XTWIJQCOWALLCA-MRVPVSSYSA-N 300.271 -0.032 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 1627509650 LHEUXBYXINGUEU-UHFFFAOYSA-N 302.312 -0.115 5 10 DBBE COC1(OC)CCOC[C@H]1NC(=O)c1c([N+](=O)[O-])cnn1C 1629922070 DEGFQGHKOZWSLU-SECBINFHSA-N 314.298 -0.164 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCCN1CCO 1641208977 KEKBWFFQPMAWBJ-SNVBAGLBSA-N 311.342 -0.095 5 10 DBBE Cn1cc(CN2CCC[C@@H]3OCCNC(=O)[C@H]32)c([N+](=O)[O-])n1 1659904390 TXNHNLJTMPJMFU-QWRGUYRKSA-N 309.326 -0.192 5 10 DBBE C[C@H](C[C@@H]1CCCS1(=O)=O)N=c1nc([N+](=O)[O-])[nH]n1C 2159180612 MFFZILXTNZKYPY-SFYZADRCSA-N 303.344 -0.087 5 10 DBBE O=[N+]([O-])c1c(N[C@@H]2C[C@H](O)[C@H](O)[C@H]2O)nc2sccn12 2165125253 VEZTTXQAQOKEIF-BWBBJGPYSA-N 300.296 -0.429 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CC2(CNS(=O)(=O)C2)C1 2176109371 AFGOPNGGNYCKEN-UHFFFAOYSA-N 319.730 -0.222 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 2192676880 LTYPVNFENNIWBU-HTQZYQBOSA-N 302.312 -0.962 5 10 DBBE CS[C@H]1CNC[C@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2205583968 TXRGNSVBAYPRPR-ZJUUUORDSA-N 318.380 -0.029 5 10 DBBE Nc1ccc(S(=O)(=O)NC[C@@H]2COCCO2)cc1[N+](=O)[O-] 38063217 WDXMESGGSQFCAS-MRVPVSSYSA-N 317.323 -0.129 5 10 DBBE C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N)c1nn[nH]n1 50672569 SSPWCXDEYGDBEK-YFKPBYRVSA-N 313.299 -0.270 5 10 DBBE COc1cccc(S(=O)(=O)CCS(N)(=O)=O)c1[N+](=O)[O-] 135065176 XQFRAYWJUKGKDV-UHFFFAOYSA-N 324.336 -0.334 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCN2CC3)n1 191681951 LPZSELNMSKTZQR-SNVBAGLBSA-N 308.342 -0.459 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](O)C[C@H]2C(=O)OC)n1 427707619 ZSSVOJNKVZPJTD-SFYZADRCSA-N 312.282 -0.440 5 10 DBBE O=C(CNS(=O)(=O)c1ncccc1[N+](=O)[O-])NCC(F)F 594771145 BPYXDMVTFDHPPG-UHFFFAOYSA-N 324.265 -0.351 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)N2CCCC2)n1 780324461 QEBYBTRDCJDERD-UHFFFAOYSA-N 303.300 -0.601 5 10 DBBE O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 848306798 JWFCRADHKJIYHT-MJBXVCDLSA-N 321.333 -0.094 5 10 DBBE CN(C)C1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 1353607428 MPXCBLIBFQDLMS-DDHJBXDOSA-N 324.381 -0.101 5 10 DBBE CS(C)(=O)=NC(=O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 1451979419 LQIUMXKIQRJBHN-UHFFFAOYSA-N 317.327 -0.448 5 10 DBBE C[C@]1(CO)C[C@H](O)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1453742841 IFSFUMXOVXRFLJ-SGMGOOAPSA-N 310.306 -0.028 5 10 DBBE C[C@H]1C(=O)N(NC(=O)CCn2cc([N+](=O)[O-])cn2)C(=O)N1C 1557580276 ZRBKHQXSDDFBIV-ZETCQYMHSA-N 310.270 -0.505 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@@H]2C1=O 1557967243 MMCVDYFOEQJPOE-AOOOYVTPSA-N 318.289 -0.136 5 10 DBBE COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)Cn1ccnn1 1638697572 SYKPCORPBUWKPC-SNVBAGLBSA-N 321.293 -0.014 5 10 DBBE Cc1nccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1737731961 RCRGWPFFUVJNMY-MWLCHTKSSA-N 307.310 -0.362 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1n[nH]cc1F 1746900905 NNJIYEUSMGNNNA-VXNVDRBHSA-N 313.289 -0.256 5 10 DBBE COc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCN(C)CC1 1851984921 LXWVHBUULYFKTM-UHFFFAOYSA-N 323.353 -0.024 5 10 DBBE NC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ncc1Br 2062351501 SEYQKGDJPJRZCH-RXMQYKEDSA-N 319.115 -0.198 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCNNCC2)ccc1F 2152176399 YTHJNOCUAANEKU-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)c1 2188677340 FHMMSRPLHWHWRU-ZJUUUORDSA-N 303.296 -0.894 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1N=c1[nH]c(Cl)ncc1[N+](=O)[O-] 2192681145 ZVPCEWVXINVBJH-VDTYLAMSSA-N 321.746 -0.743 5 10 DBBE NNc1cc(C(=O)N(CCO)CCO)c([N+](=O)[O-])cc1F 51094314 KOPMZIPUZXGYCX-UHFFFAOYSA-N 302.262 -0.554 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1CCN2CCOC[C@@H]2C1 363806821 RLZZCGOUJOEODL-ZDUSSCGKSA-N 308.338 -0.227 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Nc2cc([N+](=O)[O-])cc(=N)[nH]2)C1 400141112 WPYJHXWMAXOEIL-SSDOTTSWSA-N 301.328 -0.152 5 10 DBBE NC(=O)CN1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1=O 413421135 KHIPJBQEMOWEEA-UHFFFAOYSA-N 324.322 -0.562 5 10 DBBE COCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593538537 SCUFXLGQCOMBFS-UHFFFAOYSA-N 305.312 -0.069 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H](O)CO 698920961 ULHYJIWUJLLPQV-MUWHJKNJSA-N 308.287 -0.246 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2(O)CNC2)cc1 725373430 MEUMVLWGHPTFPP-UHFFFAOYSA-N 301.324 -0.403 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2CN(CCOCCO)C[C@@H]2C1 1271854808 VDLZUBPWQCGQHR-YVECIDJPSA-N 313.354 -0.949 5 10 DBBE CCn1ccnc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1298371883 OZABKXBNMZUCAU-ANDSXOESSA-N 321.337 -0.030 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCC[C@H]1C=NNC1=O 1454189500 YQFKYLWSJPBNOE-VIFPVBQESA-N 321.293 -0.615 5 10 DBBE C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[S@@](=O)C1 1567604121 UXMZHXWUVSRQEX-ZPWHCFADSA-N 301.328 -0.587 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCS(=O)(=O)CC2)n1 1584715054 IWKFXQQLAFMSBZ-UHFFFAOYSA-N 302.312 -0.318 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCC(O)(COCCO)CC1 1612934568 YFGNUTRIDKRDOE-UHFFFAOYSA-N 300.315 -0.332 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1COC1 2154131345 LTXHRPRGCPTYDN-UHFFFAOYSA-N 302.312 -0.195 5 10 DBBE CNc1sc(S(=O)(=O)NC2(C(N)=O)CC2)cc1[N+](=O)[O-] 2159812525 IBDSSGBKYIALQF-UHFFFAOYSA-N 320.352 -0.006 5 10 DBBE N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 2168117076 NBGBJSDCZFHSPB-BDAKNGLRSA-N 301.324 -0.323 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CC2(C1)OC[C@H](O)[C@@H]2O 2183723269 YCTWFULATXHCPQ-CBAPKCEASA-N 300.292 -0.397 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N=[S@@]2(=O)CC[C@H](CN)C2)n1 2186528803 XYPNKUCEZKEFKB-JLPJYYFKSA-N 301.328 -0.085 5 10 DBBE NNc1cc(N2CC(CS(N)(=O)=O)C2)ccc1[N+](=O)[O-] 2234457322 PFBIHORQOABYOL-UHFFFAOYSA-N 301.328 -0.395 5 10 DBBE NC(=O)[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 227837104 DFJSQEHFEJARSI-SSDOTTSWSA-N 323.714 -0.627 5 10 DBBE O=C(O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 370420499 JIVCOXLUYLBOFT-PHDIDXHHSA-N 322.320 -0.135 5 10 DBBE C[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1CCO 580784066 RBDZOMHKBPLAJZ-VIFPVBQESA-N 309.326 -0.289 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@](O)(CO)C2)nc1 593608450 SCCUJJTVAVCUIN-NSHDSACASA-N 317.323 -0.502 5 10 DBBE CN1C[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)NC1=O 597479610 TYMPFKUOFIPUDK-NSHDSACASA-N 305.294 -0.102 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CO)CC2CC2)n1 599263894 MGOLDSMTQNEKMQ-MRVPVSSYSA-N 304.328 -0.232 5 10 DBBE O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCn1cc([N+](=O)[O-])cn1 1127068313 IPSRHZHZQQWBOY-VIFPVBQESA-N 314.323 -0.144 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C[C@@H](C)O)[C@@H](C)CO 1161163590 FTGDIYUAZDSNCL-DTWKUNHWSA-N 300.315 -0.310 5 10 DBBE CN(C)CCCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1525022566 NGSDXPIMYGVRRC-DDHJBXDOSA-N 312.370 -0.243 5 10 DBBE CN1CCN(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 1540508399 XOGKFEXBIJPNBP-AWEZNQCLSA-N 322.365 -0.008 5 10 DBBE CN(CC(=O)N1C[C@@H](O)[C@@H](CO)C1)c1ccccc1[N+](=O)[O-] 1629601107 PIIMZQAINZEKNT-ZWNOBZJWSA-N 309.322 -0.157 5 10 DBBE O=C(CCc1ccon1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1738059706 IRCLXYLZPVPFAN-VXGBXAGGSA-N 322.321 -0.153 5 10 DBBE CNC(=O)c1cn(-c2ccnc(O)c2[N+](=O)[O-])nc1C1CNC1 2070630789 DYBLLXSGVVPWAD-UHFFFAOYSA-N 318.293 -0.073 5 10 DBBE CN(CCS(=O)(=O)N(C)C)c1nc(F)ncc1[N+](=O)[O-] 2151038058 DNVLYXXODXUNCD-UHFFFAOYSA-N 307.307 -0.149 5 10 DBBE CS(=O)(=O)C1(CN=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])CCC1 2166696175 FZCIOEIWOYGIAT-UHFFFAOYSA-N 301.328 -0.402 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 2207471502 QPUWAAORVABDFC-CBAPKCEASA-N 302.312 -0.204 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@](O)(CO)[C@@H](O)C1 2234095241 DXLHYNCMJCOCBF-GZMMTYOYSA-N 302.308 -0.414 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(=NCC2(O)CS(=O)(=O)C2)[nH]1 2283074583 WKCRJXURHCAGGA-UHFFFAOYSA-N 304.328 -0.635 5 10 DBBE CS(=O)(=O)C[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 2360560234 JGKOETOLNLACHR-SNVBAGLBSA-N 301.324 -0.417 5 10 DBBE NS(=O)(=O)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 40384128 YLBVOHUPHWOKIP-UHFFFAOYSA-N 323.352 -0.697 5 10 DBBE CSC[C@](C)(O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 230164987 RYOMQJLWQGDRMY-GHMZBOCLSA-N 304.372 -0.144 5 10 DBBE Cc1nc(N)nc(N(C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 234323432 GQPBXLIHCBJAGT-SSDOTTSWSA-N 301.328 -0.101 5 10 DBBE NS(=O)(=O)[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 340251360 DUSUOTZKEHFDDO-ZETCQYMHSA-N 312.311 -0.495 5 10 DBBE CN(Cc1nnnn1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] 343583052 ROTUEJFMBYJQPX-SNVBAGLBSA-N 322.325 -0.010 5 10 DBBE C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594781191 OCEGXNLSLDOSHL-VXNVDRBHSA-N 314.323 -0.207 5 10 DBBE COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCNC1=O 594789817 GBOLMHXDUZLNBL-ZETCQYMHSA-N 315.307 -0.230 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 596437951 YOIKEARGJMFXDB-CAHLUQPWSA-N 303.300 -0.809 5 10 DBBE CS(=O)(=O)NC[C@@H]1COCCN1c1ccc([N+](=O)[O-])nc1 599185147 LFLJJYGOPHMDHK-SNVBAGLBSA-N 316.339 -0.256 5 10 DBBE CN(CC(=O)NC1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599208233 ZCJLORBRBREETB-UHFFFAOYSA-N 317.327 -0.773 5 10 DBBE COC(=O)c1cc(C(=O)NC2=NCC(=O)N2)cc([N+](=O)[O-])c1 604185017 PUAFQLQNJUKADW-UHFFFAOYSA-N 306.234 -0.403 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)C2(C)COC2)n1 861327258 VDONZWCGEYHCCN-UHFFFAOYSA-N 304.284 -0.830 5 10 DBBE Cc1nc[nH]c1CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1283246849 QIOCQUVTARQBTJ-MWLCHTKSSA-N 309.326 -0.452 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCCOC[C@@H]1CCOC1 1318658867 YRRKKIYDVDEGRU-JTQLQIEISA-N 313.314 -0.254 5 10 DBBE Cc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c(=O)n1C 1321360200 MRKSXUFNTPIFAI-UHFFFAOYSA-N 306.282 -0.490 5 10 DBBE CNC(=O)NC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 1557021343 AXXUCBSZMQCWIS-UHFFFAOYSA-N 310.314 -0.138 5 10 DBBE CCNC(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 1568235771 WBKXRSALJSKFGQ-GHMZBOCLSA-N 312.370 -0.194 5 10 DBBE O=C1CC2(CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)N1 1583970927 AARNOTWHHRBHFQ-UHFFFAOYSA-N 320.305 -0.362 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cc[nH]n1 1759059529 WIVQXSAIPPICEU-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE COc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCN1CC2 1851797870 KONFMVQOONJIJW-LLVKDONJSA-N 321.337 -0.272 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])C(=O)N1C[C@H](O)C[C@H]1C(=O)O 1866349460 WLQQSLRUMLWZOJ-KOLCDFICSA-N 322.273 -0.247 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 2157536371 FNYCNUKUESOHIJ-UHFFFAOYSA-N 322.730 -0.229 5 10 DBBE NS(=O)(=O)NCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 2157536716 IZCCDSPURLCZCS-UHFFFAOYSA-N 303.300 -0.491 5 10 DBBE NNc1sc(S(=O)(=O)N2CC=C[C@@H]2CO)cc1[N+](=O)[O-] 2176338558 DVYVMZJQIZEZPW-ZCFIWIBFSA-N 320.352 -0.137 5 10 DBBE NC[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2187584711 QHYXDUSRBAKUIL-UWVGGRQHSA-N 301.324 -0.323 5 10 DBBE C[C@H](O)[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 50101838 IYECIBRFGQVQFZ-OIBJUYFYSA-N 318.307 -0.152 5 10 DBBE Cc1ccc(OCCOCCS(N)(=O)=O)c([N+](=O)[O-])n1 70490335 PHZWMHRBCZJXNA-UHFFFAOYSA-N 305.312 -0.018 5 10 DBBE C[C@@H](O)[C@@H](N)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 80737559 DRKHOUVZXXBNGK-KCJUWKMLSA-N 303.340 -0.278 5 10 DBBE CN1C(=O)CC[C@H](NC(=O)N=c2cc[nH]cc2[N+](=O)[O-])C1=O 425653714 ANVXRVPLEZYEML-QMMMGPOBSA-N 307.266 -0.319 5 10 DBBE COc1ccc(NC(=O)C[S@](=O)CC(N)=O)c([N+](=O)[O-])c1 526839407 SRBWHCBQKJILFR-OAQYLSRUSA-N 315.307 -0.224 5 10 DBBE O=C1NCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 698895823 LVCJAIRBJVHIKC-QMMMGPOBSA-N 303.271 -0.099 5 10 DBBE NNc1ccc(S(=O)(=O)Nc2nn[nH]n2)c([N+](=O)[O-])c1 709882894 WYPLBOYQXVEGEF-UHFFFAOYSA-N 300.260 -0.806 5 10 DBBE O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)NC1CC1 845801556 JHGFGOCTQAUQEU-UHFFFAOYSA-N 300.296 -0.453 5 10 DBBE COC[C@@H](OC)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 850879676 UYERHFFOLFEWGS-MRVPVSSYSA-N 319.295 -0.544 5 10 DBBE CON(C)C(=O)[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 859405559 WDFHGUCZCVBBCZ-ZETCQYMHSA-N 318.311 -0.324 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC(=O)N(CC2CC2)C1 1132834364 PYHDONKJIODGSS-VIFPVBQESA-N 308.298 -0.687 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(O)C[C@H]3C2)n1 1331573426 UVESIPBZEFURDZ-OIBJUYFYSA-N 302.312 -0.526 5 10 DBBE O=[N+]([O-])c1cnn(CCN2CCS(=O)(=O)C[C@H]2CCO)c1 1460812591 OBWUUGCQTPFROB-SNVBAGLBSA-N 318.355 -0.727 5 10 DBBE Cn1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1506049250 VDGASDHAMQGZBH-NXEZZACHSA-N 307.310 -0.536 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN2C(=O)OC[C@H]2C1 1635509452 LKZFLBZBMVEQOX-SECBINFHSA-N 322.277 -0.581 5 10 DBBE O=C1[C@H](N2C[C@H](O)[C@@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 1646100840 GUYKJRYNUPICDJ-HONMWMINSA-N 321.333 -0.015 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnnc(O)c1 1738359517 FMNDPQFCTVJVLP-NXEZZACHSA-N 323.309 -0.622 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(CCn2ccnc2)CC1 1851765118 VIRWHUXRTYUSPU-UHFFFAOYSA-N 319.325 -0.028 5 10 DBBE O=[N+]([O-])c1cccc(=NCC[C@H]2CNCCS2(=O)=O)[nH]1 1925570985 MHTUBUKDYYQPQP-VIFPVBQESA-N 300.340 -0.400 5 10 DBBE CN(CCN(C)S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])n1 1971683476 XQEMWTBPFNLQEB-UHFFFAOYSA-N 303.344 -0.100 5 10 DBBE NC[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 2126187107 CNJIWLWGUMOQAN-ZCFIWIBFSA-N 309.731 -0.154 5 10 DBBE NNc1cccc(NC[C@@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 2146204320 BEXGOWKMLVAXJR-ZETCQYMHSA-N 301.328 -0.016 5 10 DBBE C[C@@H]1[C@H](O)CN1S(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 2182522732 HSYFHIQMQOJVTQ-HZGVNTEJSA-N 302.312 -0.366 5 10 DBBE C[C@@H]1[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 2182525079 YZKBZUHAEXBXQD-LHLIQPBNSA-N 302.312 -0.366 5 10 DBBE O=C(Nc1cc([N+](=O)[O-])ccn1)[C@@H]1CNCCS1(=O)=O 2202447303 RMPZKTIGURTADA-QMMMGPOBSA-N 300.296 -0.685 5 10 DBBE CNS(=O)(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 2295623250 WEUOLWBWQAXXBP-UHFFFAOYSA-N 300.296 -0.637 5 10 DBBE CS(=O)(=O)C[C@H](N)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2360554247 UAAJPKTXNGSEON-ZETCQYMHSA-N 303.296 -0.389 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)ccc1F 236531998 ZELVEUMPJNGHGR-NXEZZACHSA-N 306.271 -0.540 5 10 DBBE NC(=O)CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O 459521544 ZESYXIJZSLCZSS-UHFFFAOYSA-N 321.293 -0.244 5 10 DBBE CNc1nccc(C(=O)NCC(=O)N2CCCO2)c1[N+](=O)[O-] 600058008 NFSICWCORFUSMF-UHFFFAOYSA-N 309.282 -0.075 5 10 DBBE CC(C)N(C)S(=O)(=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 780361710 ZUNBEKAKZMTVTJ-UHFFFAOYSA-N 305.316 -0.357 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCn2ncnc2C1 1634575062 QERHWRSAGLVTOA-UHFFFAOYSA-N 304.266 -0.610 5 10 DBBE C[C@H]1CCS(=O)(=O)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 1638527071 IXDHWFOBWUVRHZ-QMMMGPOBSA-N 317.327 -0.778 5 10 DBBE CN1[C@@H](CN=c2[nH]c(F)ncc2[N+](=O)[O-])CCS1(=O)=O 2145346798 PHSJULFRQDXMSL-ZCFIWIBFSA-N 305.291 -0.608 5 10 DBBE C[C@H](CS(=O)(=O)N(C)C)N=c1ccc(N)c([N+](=O)[O-])[nH]1 2151098527 PIEHNGRMUZNLOU-SSDOTTSWSA-N 303.344 -0.314 5 10 DBBE CCS(=O)(=O)NC1CN(c2ncnc(F)c2[N+](=O)[O-])C1 2165568369 FWXBVFVRCJDPNE-UHFFFAOYSA-N 305.291 -0.348 5 10 DBBE N[C@@H]1CS(=O)(=O)C[C@H]1Oc1nc2sccn2c1[N+](=O)[O-] 2177957648 AWPUMVQYLRHBOG-PHDIDXHHSA-N 318.336 -0.193 5 10 DBBE CO[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 2188225887 YOWRWHMXKRXMSF-IONNQARKSA-N 302.312 -0.054 5 10 DBBE N[C@H](CS(=O)(=O)Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)O 2288544055 DVUJYTHXVGNOMB-ZCFIWIBFSA-N 324.702 -0.203 5 10 DBBE O=C(O)C[C@H]1CS(=O)(=O)CCN1c1ncc([N+](=O)[O-])cn1 126027353 DZDRZFZGLVUFQT-ZETCQYMHSA-N 316.295 -0.537 5 10 DBBE CS(=O)(=O)N1CCN(c2cc([N+](=O)[O-])cc(N)n2)CC1 235038903 BHGFRRJEIFCAKY-UHFFFAOYSA-N 301.328 -0.346 5 10 DBBE Cc1nc(NN)nc(N[C@H](C)CS(C)(=O)=O)c1[N+](=O)[O-] 235476025 NIDQJDHAVWINNT-RXMQYKEDSA-N 304.332 -0.176 5 10 DBBE O=C(NC(CO)(CO)CO)c1cc(Cl)cc([N+](=O)[O-])c1 236490647 GHGYCIUZWRFTAW-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CC(N)=O)C(=O)C1 458046897 MEAALCJRCBHGKV-UHFFFAOYSA-N 320.305 -0.327 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 598027010 IHWKQEHVHFAGLB-NXEZZACHSA-N 315.307 -0.468 5 10 DBBE CS(=O)(=O)CC1(Cn2cc([N+](=O)[O-])c(O)nc2=O)CC1 694013371 HNLKNQDZWJCWEY-UHFFFAOYSA-N 303.296 -0.318 5 10 DBBE CCS(=O)(=O)CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 1129862989 URUKWZNMYOFEOM-UHFFFAOYSA-N 304.328 -0.268 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCC1=NNC(=O)C1 1141691165 IOEPMZJQEWNSPX-UHFFFAOYSA-N 308.298 -0.128 5 10 DBBE O=C(Cn1ncnn1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1447745283 HJXUEUOASJFSKU-UHFFFAOYSA-N 304.266 -0.129 5 10 DBBE CN(CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)CCOCCO 1455188525 DUZOSEWLRKSSBW-UHFFFAOYSA-N 300.315 -0.407 5 10 DBBE COC1(OC)CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1O 1557154776 JZOFFFJWENRDPQ-VIFPVBQESA-N 314.298 -0.476 5 10 DBBE Cc1[nH]nc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)c1[N+](=O)[O-] 1629589876 AGBGXDVYPAVJFF-SCZZXKLOSA-N 310.358 -0.010 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)[C@@H]1[C@H]2COC[C@H]21 1691438013 ZFTCATDYVLDBCK-IAZYJMLFSA-N 323.353 -0.231 5 10 DBBE CNC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 1867358719 VWFLSONLWRIZMS-DTWKUNHWSA-N 322.321 -0.036 5 10 DBBE CN1[C@H](CN=c2cc(N)c([N+](=O)[O-])c[nH]2)CCS1(=O)=O 2165861571 LKSUOQMEQOMREG-ZETCQYMHSA-N 301.328 -0.560 5 10 DBBE Nc1sc(S(=O)(=O)NCc2nc(=O)o[nH]2)cc1[N+](=O)[O-] 2172822663 NIRLZGCZEXUWGT-UHFFFAOYSA-N 321.296 -0.607 5 10 DBBE C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](O)C(=O)O 2176845224 YERKXYCPLADIMW-RCOVLWMOSA-N 304.280 -0.293 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@](C)(N)CO 2181129097 KZBDRPCGYVFHKQ-NSHDSACASA-N 303.340 -0.109 5 10 DBBE CNc1nccc(C(=O)N[C@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-] 561259548 QWFVPUVLQFSQFO-QMMMGPOBSA-N 307.310 0.382 5 10 DBBE Nc1nc(N2CCC(N3CC[C@@H](O)C3)CC2)ncc1[N+](=O)[O-] 596539232 NBGDHKCLRMREBC-SNVBAGLBSA-N 308.342 0.002 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCOCC23CC3)n1 599302127 FYAWBRKMQMJXHO-UHFFFAOYSA-N 302.312 -0.118 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OCCN1C[C@@H]2CC[C@H](C1)O2 767501891 NRXQOTFZPDQRQS-AOOOYVTPSA-N 311.298 -0.407 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCCO2)nc1 845827030 YVTUINQYNSTCBH-SECBINFHSA-N 303.296 -0.317 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NCC[C@@H]1CCCS1(=O)=O 1132959061 REASSBGETMGQPG-VIFPVBQESA-N 316.339 -0.125 5 10 DBBE CC(C)(CS(C)(=O)=O)NC(=O)Cn1cnc([N+](=O)[O-])n1 1323876656 XWCYJCPEJWIINW-UHFFFAOYSA-N 305.316 -0.874 5 10 DBBE CC[C@](C)(OC)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1351533149 XVSQBQPIHCXGAQ-JTQLQIEISA-N 320.327 -0.052 5 10 DBBE CCN(CC)CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1354094496 AEYPZAYGPLMUOY-DIACKHNESA-N 324.381 -0.434 5 10 DBBE C[C@@H]1C(=O)N(C)S(=O)(=O)N1Cc1cn(C)nc1[N+](=O)[O-] 1473021613 KYLHSGLLXLQNCV-ZCFIWIBFSA-N 303.300 -0.764 5 10 DBBE CCN(CCNC(=O)CCc1nc[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496699617 HHDPLJGKHSUKLQ-NXEZZACHSA-N 324.341 -0.633 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC1CCN([C@H]2CCOC2)CC1 1585143803 WCGVTPPPOYBBAC-NSHDSACASA-N 324.341 -0.444 5 10 DBBE CNC(=O)[C@H](C)CN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1630774745 FDPISMGRQJEGLU-SECBINFHSA-N 310.310 -0.403 5 10 DBBE CN1C(=O)CN=C1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 1634186376 DNJZYGORVZHIEP-UHFFFAOYSA-N 319.277 -0.731 5 10 DBBE CS(=O)(=O)c1cc(C(=O)Nn2cnnc2)cc([N+](=O)[O-])c1 1637327767 CFDRABBENHTRDL-UHFFFAOYSA-N 311.279 -0.026 5 10 DBBE NS(=O)(=O)NC1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 1652130566 ALEMIXRBIDILSH-UHFFFAOYSA-N 307.719 -0.375 5 10 DBBE CC(C)NC(=O)NCCNCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1713591680 UKTCVTMPRDXOJM-GHMZBOCLSA-N 315.374 -0.593 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CN(C)C(C)=O 1759001280 HNZUKGXIRNCXOH-GHMZBOCLSA-N 314.342 -0.905 5 10 DBBE O=[N+]([O-])c1nn(C[C@@]2(O)CNCCOC2)cc1Br 2039071107 FDKBLKYEABONIP-VIFPVBQESA-N 321.131 -0.095 5 10 DBBE CN1C[C@H](O)[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 2146515898 SCAPMQDHYYWDFT-MNOVXSKESA-N 301.324 -0.452 5 10 DBBE Nc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)c([N+](=O)[O-])c1 2149265566 BCXHJWGLFQGJMH-CBAPKCEASA-N 305.287 -0.120 5 10 DBBE C[C@H]1[C@@H](O)CN1S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 2182522961 JHYRSAAUVQXEEF-XPUUQOCRSA-N 302.312 -0.366 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 2192676033 JMNLFRQTLKWVPG-DTWKUNHWSA-N 302.312 -0.962 5 10 DBBE O=C1NCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2200821851 PSWVTNOXVMUPHC-SSDOTTSWSA-N 300.296 -0.596 5 10 DBBE C[C@]1(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)CSCCO1 2201240326 UOLXEXRZPGOBQQ-VIFPVBQESA-N 322.368 -0.039 5 10 DBBE COc1nccc(N2CCS(=O)(=O)CCN2)c1[N+](=O)[O-] 2288665435 GRVBMSGDVUDASK-UHFFFAOYSA-N 302.312 -0.262 5 10 DBBE O=C(O)c1ccc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 50517651 VDGFIRBYBVKTKN-WCBMZHEXSA-N 317.275 -0.170 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1[N+](=O)[O-] 50661847 WQPLHDYRXYGJNI-VIFPVBQESA-N 314.323 -0.266 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 113216766 BMRFMEGXOGZJLC-SSDOTTSWSA-N 314.323 -0.314 5 10 DBBE CN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 126839551 SOFKPWLKIRCORU-RKDXNWHRSA-N 319.314 -0.313 5 10 DBBE CS(=O)(=O)NCCCNc1ccc2ncc([N+](=O)[O-])n2n1 301843924 RXSJTZHZBYMCAZ-UHFFFAOYSA-N 314.327 -0.011 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1F 323402081 UNXIMJPSBSLAJZ-PSASIEDQSA-N 306.271 -0.228 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)nc1 593523532 NKRGNYJQDYEIQE-ZETCQYMHSA-N 321.336 -0.545 5 10 DBBE CN(C)S(=O)(=O)N1CC(NC(=O)CCC(C)(C)[N+](=O)[O-])C1 863543402 NYEOOSJSLKRBIA-UHFFFAOYSA-N 322.387 -0.571 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](c2nn[nH]n2)C1 1175553535 YSVQYDPWAZVUQK-QMMMGPOBSA-N 306.286 -0.371 5 10 DBBE C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1CCO 1296778589 FPFGNZBHOPSGTD-NSHDSACASA-N 324.337 -0.719 5 10 DBBE CCn1ncc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1 1301325089 AYULCCVWWYOYPW-UHFFFAOYSA-N 306.282 -0.316 5 10 DBBE COc1ccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1575821311 CDNJHDRAPHAZDX-PSASIEDQSA-N 323.309 -0.614 5 10 DBBE O=C1NCCO[C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)[C@H]12 1648125135 XIPJFVKRYPISEW-JQWIXIFHSA-N 309.326 -0.229 5 10 DBBE O=C1NCCO[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@H]12 1650788626 NWDCOVWCQGMTME-SCZZXKLOSA-N 309.282 -0.563 5 10 DBBE CCc1ncncc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720272881 BQEFVGWGLIDOFF-BXKDBHETSA-N 321.337 -0.060 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(O)CNC1 1918666444 GDGXMDKWQMPDBG-MRVPVSSYSA-N 301.324 -0.404 5 10 DBBE C[S@@](=O)(CCN)=NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 1924727090 LOIGVGZMRPBNCP-GOSISDBHSA-N 308.341 -0.265 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(N(C)CCS(=O)(=O)NC)[nH]1 2151039693 WVDRXBSMOZQUTQ-UHFFFAOYSA-N 303.344 -0.561 5 10 DBBE COC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1Cl)C(N)=O 2152374814 SNCAPIBBEGQLOB-SSDOTTSWSA-N 302.674 -0.127 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 2152952125 GAUGBQBLIPPFAS-LURJTMIESA-N 302.312 -0.416 5 10 DBBE C[S@@](=O)CC1(C)CN(c2ncnc(NN)c2[N+](=O)[O-])C1 2186341393 TUQYZEPDQNFWHT-HXUWFJFHSA-N 300.344 -0.125 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N=[S@@](C)(=O)[C@H]1CCNC1 2186529721 UXWQESAOMADZAA-JKNYTWMOSA-N 301.328 -0.072 5 10 DBBE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ncnc(Cl)c1[N+](=O)[O-] 2234068328 OVSYCFRJGGJALM-JKMUOGBPSA-N 304.690 -0.405 5 10 DBBE CS(=O)(=O)C[C@H](N)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2360560951 UAAJPKTXNGSEON-ZETCQYMHSA-N 303.296 -0.389 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 159067214 QVPRKQZYAULWFP-GOSISDBHSA-N 307.353 -0.166 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CNC[C@H]1O 262094618 DHHPRZBJVGHZIN-PRHODGIISA-N 313.285 -0.191 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN3CCOC[C@H]3C2)n1 408371436 YKUHBCJISMGBDU-SNVBAGLBSA-N 309.326 -0.032 5 10 DBBE N[C@H]([C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(C(=O)O)C(=O)O 514284362 GEQBBGGANDSSEX-OPRDCNLKSA-N 314.250 -0.898 5 10 DBBE COC[C@](C)(O)CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 582296691 RHYZXJCUYVFMRD-VXGBXAGGSA-N 302.331 -0.471 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CC(CN2CCOCC2)C1 590567771 HTVMZVVJALCGNC-UHFFFAOYSA-N 321.337 -0.143 5 10 DBBE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] 592869969 APQXPFICBBKKPV-MRVPVSSYSA-N 310.314 -0.490 5 10 DBBE COCC[C@](C)(O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599242008 SSIOROOHSSYBAE-JTQLQIEISA-N 322.343 -0.606 5 10 DBBE O=C(O)[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCS1 699232460 FECIZDPTERNQIK-SSDOTTSWSA-N 300.296 -0.180 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(C[C@@H](O)CNC2=O)C1 1154867728 VOYBOVBHVACSGM-LLVKDONJSA-N 305.290 -0.082 5 10 DBBE Cc1c(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1283005414 WBXBUXPCTLNXHJ-GHMZBOCLSA-N 309.326 -0.831 5 10 DBBE Cc1nonc1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1283539591 XFHDSIOCLXKFHA-RKDXNWHRSA-N 311.298 -0.378 5 10 DBBE O=C(Cc1ncc[nH]1)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1286426957 PLSIBYSUVGKWEZ-GWOFURMSSA-N 321.337 -0.372 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2CN1 1331475278 YFUZDXUTUGIRGV-UKKRHICBSA-N 306.326 -0.357 5 10 DBBE CS(=O)(=O)C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 1545351248 NXOQJAJAGWHKQC-UHFFFAOYSA-N 302.312 -0.033 5 10 DBBE CCCc1[nH]nc(C(=O)N2CC(O)(C(=O)OC)C2)c1[N+](=O)[O-] 1588100461 GBGHUHISGATPQD-UHFFFAOYSA-N 312.282 -0.370 5 10 DBBE Cn1ccnc1C1(O)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1633055949 UTIQBDQNBHYWQC-UHFFFAOYSA-N 306.282 -0.745 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1[C@H](CO)CC[C@H]1CO 1640142359 QJLAPAMZIJQIIO-WDSKDSINSA-N 304.690 -0.071 5 10 DBBE O=C1NCCO[C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)[C@@H]12 1648125137 XIPJFVKRYPISEW-ZYHUDNBSSA-N 309.326 -0.229 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)n1 1648402181 KEMULJGMTLUCGK-GHMZBOCLSA-N 323.353 -0.001 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(O)n1 1721825406 OSYHUCMYKKWIEF-UESFQREOSA-N 320.305 -0.145 5 10 DBBE CCN(CCNC(=O)CCn1cncn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758990133 MHAFDCLIYLPCKM-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=N[C@@H]1CS(=O)(=O)C[C@@H]1O 2121333140 JSAAUOQSXLOJAQ-SVRRBLITSA-N 307.715 -0.365 5 10 DBBE NNc1cc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc([N+](=O)[O-])c1 2177963570 SWFAVYHQDXKYFK-ZJUUUORDSA-N 302.312 -0.550 5 10 DBBE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1c1ncc(Cl)cc1[N+](=O)[O-] 2200857968 IVLMKNSEFTXVSD-BIIVOSGPSA-N 303.658 -0.362 5 10 DBBE NS(=O)(=O)c1cn(CC23COCC(C2)C3)nc1[N+](=O)[O-] 2236444414 XOFPJERFEIEKDB-UHFFFAOYSA-N 302.312 -0.135 5 10 DBBE NNc1cc(C(=O)N2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-] 54416001 FOWYQJONMLSKRH-UHFFFAOYSA-N 314.323 -0.249 5 10 DBBE NC(=O)CN(CC(N)=O)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 61808626 PXXQZHNQRVHNBP-UHFFFAOYSA-N 314.685 -0.339 5 10 DBBE CN(C)CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1=O 593486224 QNGWWSQVUXNEIZ-UHFFFAOYSA-N 309.330 -0.823 5 10 DBBE CC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)NC 594782929 RXNXGEIPUCAPNO-SSDOTTSWSA-N 302.312 -0.207 5 10 DBBE CCNC(=O)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599205793 ADYXMFPLEIGBBM-ZCFIWIBFSA-N 305.316 -0.869 5 10 DBBE C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1(CO)CC1 599351457 FMJAHAFVOSECLF-ZETCQYMHSA-N 304.328 -0.232 5 10 DBBE NS(=O)(=O)c1cn(C[C@H]2CCCS2(=O)=O)nc1[N+](=O)[O-] 694395214 COFGIEXBRFDPOQ-ZCFIWIBFSA-N 324.340 -0.984 5 10 DBBE O=C(NCCNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1283040615 DETLVAQKRWZBPZ-OJAKKHQRSA-N 324.381 -0.338 5 10 DBBE COCC[C@H](COC)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1324103798 XSQHXZQIUVJLPK-SNVBAGLBSA-N 313.310 -0.076 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNCc1ncccn1 1326021305 GUAYRDZOQNPGKO-GHMZBOCLSA-N 309.326 -0.948 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1349470520 YDMPLJHQPOUTGW-KKZNHRDASA-N 304.324 -0.932 5 10 DBBE O=C1NC(=O)C2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)N1 1472358335 RIFFZUXVJOWWQK-UHFFFAOYSA-N 304.262 -0.442 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccon1 1480863268 STFHYMMIGWMFIU-RKDXNWHRSA-N 311.298 -0.674 5 10 DBBE O=C1NCC[C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]12 1560096947 LHVZCCHDSRIADI-UHTWSYAYSA-N 323.353 -0.247 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCCN(CC(N)=O)C2)n1 1632880068 DNCMVKPTWVYECE-JTQLQIEISA-N 321.337 -0.022 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 1636381540 YKHZIJVINMBULE-UHFFFAOYSA-N 313.241 -0.324 5 10 DBBE COC[C@]1(CO)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 1642700517 ZFZJRHHFFDAHSF-CYBMUJFWSA-N 310.310 -0.076 5 10 DBBE Cn1ncc(C2CC2)c1C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1686589031 GCRJRFWLZVWRCF-MWLCHTKSSA-N 321.337 -0.191 5 10 DBBE O=C(NCC1=CCN(CCOCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1734624433 VACMJAVZDYXCLX-CHWSQXEVSA-N 313.354 -0.591 5 10 DBBE C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCO 1872629838 WZPFGBNMRWFWCB-QMMMGPOBSA-N 317.323 -0.630 5 10 DBBE N[C@H]1COC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2149989108 SNJFQFGNHYSLCK-WDEREUQCSA-N 301.324 -0.260 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2O)c1 2183273166 ZPWDCXUCDUPXDK-MNOVXSKESA-N 301.324 -0.404 5 10 DBBE Cn1cc([N+](=O)[O-])c(C[S@@](=O)C(C)(C)[C@@H](N)C(=O)O)n1 2195279869 XTNAUCONJHINOP-FFVOIRBGSA-N 304.328 -0.233 5 10 DBBE Nc1sc(S(=O)(=O)NCc2nnc(O)o2)cc1[N+](=O)[O-] 2201201630 QLFFZTDEAAUNPE-UHFFFAOYSA-N 321.296 -0.194 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1N1CC[C@](O)(CO)[C@H](O)C1 2234100839 NEIWWFKCOUAZIY-KCJUWKMLSA-N 303.702 -0.062 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCNC(=O)C1 87887075 FTJUJWNZNGGDNJ-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE O=C(N[C@H](CO)CN1CCOCC1)c1ccc([N+](=O)[O-])cn1 556804509 UILPWKTVQFPXBL-JTQLQIEISA-N 310.310 -0.587 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CO)CC2CC2)n1 599263895 MGOLDSMTQNEKMQ-QMMMGPOBSA-N 304.328 -0.232 5 10 DBBE NCC1(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)COC1 705642723 PPGABUXFPHDMPY-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)Cn1ccc([N+](=O)[O-])n1 1457182064 QGTFVJMVSJMZNQ-JTQLQIEISA-N 322.325 -0.009 5 10 DBBE O=C(O)[C@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CN1 1615977150 IQLHLVLQJURSHW-JGVFFNPUSA-N 315.307 -0.312 5 10 DBBE C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC(=O)N1 1639928111 WRIFWKIDDGZNEG-SSDOTTSWSA-N 314.323 -0.433 5 10 DBBE CC(C)CN(Cc1nn[nH]n1)C(=O)Cn1ccc([N+](=O)[O-])n1 1644715467 WWLAOFXUDNBATQ-UHFFFAOYSA-N 308.302 -0.011 5 10 DBBE N=C(N)NCCC[C@@H](N)C(=O)Nc1ncc([N+](=O)[O-])s1 1866115737 NZRUUDFJPQSMEE-RXMQYKEDSA-N 301.332 -0.420 5 10 DBBE C[S@](=O)(CCC(=O)O)=NC(=O)Cn1cc([N+](=O)[O-])cn1 2157204869 CAWZTSATHBARTJ-FQEVSTJZSA-N 304.284 -0.110 5 10 DBBE CON([C@@H]1CCNC1)S(=O)(=O)c1cncc([N+](=O)[O-])c1 2176061930 DMOFAVUQUGVQCC-MRVPVSSYSA-N 302.312 -0.096 5 10 DBBE NS(=O)(=O)c1ccc(N2CC([N+](=O)[O-])C2)c(C(=O)O)c1 2191503757 YEAGFVXUXPIEPJ-UHFFFAOYSA-N 301.280 -0.503 5 10 DBBE O=C(O)[C@H](O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 230098333 XRRLRKJQEIVQMZ-SECBINFHSA-N 304.280 -0.291 5 10 DBBE C[C@H](CS(C)(=O)=O)NC(=O)c1cc(N)ncc1[N+](=O)[O-] 235459554 RKEILGIHSPSSGJ-ZCFIWIBFSA-N 302.312 -0.265 5 10 DBBE CC(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 268721619 VYDCVNBGBAOHCN-ZWNOBZJWSA-N 311.342 -0.295 5 10 DBBE C[C@@H](O)C(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 301957633 LGYCPVSPRIBEIL-SECBINFHSA-N 320.309 -0.333 5 10 DBBE COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](O)(C(N)=O)C1 319426212 JACJIGVFKDPJRI-ZDUSSCGKSA-N 309.278 -0.334 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C(=O)OC)C2)n1 331192043 KMSBQVGVBIABLL-SECBINFHSA-N 312.282 -0.175 5 10 DBBE C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)S(N)(=O)=O 355672064 XPEZVUSLKRKVCW-MRVPVSSYSA-N 301.324 -0.070 5 10 DBBE CC(C)OC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1 548110300 RUJLUUZJKXSHEY-JTQLQIEISA-N 313.314 -0.161 5 10 DBBE C[C@@H]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CS1(=O)=O 598191130 HRTKQICNUXAHST-BDAKNGLRSA-N 316.339 -0.127 5 10 DBBE C[C@H]1NCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1C 599109665 VUISXXHSBKEJAE-HTQZYQBOSA-N 303.344 -0.301 5 10 DBBE COC[C@](C)(O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599315611 NWGBINPCHDKWTK-SNVBAGLBSA-N 322.343 -0.606 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@]1(C)CO 599350270 PTGQYUVYKDWOFI-KCJUWKMLSA-N 318.355 -0.033 5 10 DBBE CC(C)c1nncn1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 1116118146 ZECSUTHMHWDVJO-UHFFFAOYSA-N 308.302 -0.282 5 10 DBBE C[C@@H]1NC(=O)[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C 1144385257 UBCWYAUKCAHHEA-AEJSXWLSSA-N 322.321 -0.120 5 10 DBBE O=C1NC(=O)C2(CN(c3ncnc4cccc([N+](=O)[O-])c34)C2)N1 1164359544 VXLZCEAUGSUTJU-UHFFFAOYSA-N 314.261 -0.064 5 10 DBBE O=C(NCC1(NCCCO)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1500571356 YOMMELPKSLHDHV-GHMZBOCLSA-N 301.343 -0.711 5 10 DBBE COC(=O)[C@@H]1CC[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1597093890 KKPNCBZYNBEJOI-BDAKNGLRSA-N 309.278 -0.176 5 10 DBBE CC(C)(C)NC(=O)CNC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1668821771 RMDLOVVALQBBSZ-WQMVXFAESA-N 312.370 -0.172 5 10 DBBE CN(C)CCC(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1713835580 CUNXTIPUTYBEMN-UHFFFAOYSA-N 310.358 -0.420 5 10 DBBE CN(CC(=O)N1CCOCC1)C(=O)c1cncc([N+](=O)[O-])c1 1853370698 XGMVVSHOHZJZJP-UHFFFAOYSA-N 308.294 -0.079 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CCNC[C@H]2CO)c1 2152186896 NAAPOXISAIRRCZ-JTQLQIEISA-N 301.324 -0.450 5 10 DBBE Cc1c([N+](=O)[O-])c(=NC(C)(C)CNS(C)(=O)=O)[nH]n1C 2207478598 QNLNNUWWZXQDGO-UHFFFAOYSA-N 305.360 -0.202 5 10 DBBE Cc1[nH]c(=NCC2(O)CS(=O)(=O)C2)c(Cl)cc1[N+](=O)[O-] 2283073430 CQQNRPWMIGMFTQ-UHFFFAOYSA-N 321.742 -0.055 5 10 DBBE COc1cc(C(N)=S)cc([N+](=O)[O-])c1OC[C@@H](O)CO 76854962 JDUGHXPBEHMNKN-ZETCQYMHSA-N 302.308 -0.030 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)CO 94780253 OOABICPQFUPWNH-SSDOTTSWSA-N 308.287 -0.326 5 10 DBBE NNc1ncc([N+](=O)[O-])c(N[C@@H]2CCCS(=O)(=O)C2)n1 236287945 SBLNGDYRSTZQEN-ZCFIWIBFSA-N 302.316 -0.341 5 10 DBBE CN(C(CO)CO)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 312600035 RUZRMELTAIVNNX-UHFFFAOYSA-N 305.312 -0.849 5 10 DBBE O=C(N=c1cc[nH]cc1[N+](=O)[O-])N[C@@H]1CCCN(CCO)C1=O 352878454 UGMKHAIULIMYPL-SNVBAGLBSA-N 323.309 -0.484 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(C)CCCNC2)n1 599107481 LKUOSFFNIHIBQV-NSHDSACASA-N 317.371 -0.004 5 10 DBBE NC(=O)c1ncn(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 1124548361 ZOWFEADPZWOFDH-UHFFFAOYSA-N 316.277 -0.126 5 10 DBBE C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)NCCF 1155565770 AMKMTVWRPMWPHZ-QMMMGPOBSA-N 314.273 -0.653 5 10 DBBE NC(=O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 1323918306 WXYMCFGEKXIGDK-UHFFFAOYSA-N 307.310 -0.377 5 10 DBBE CCN(CCNC(=O)c1cnn(CC)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1356041422 BXHAPKQYWGGPHT-MWLCHTKSSA-N 324.341 -0.459 5 10 DBBE CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 1523041791 LBOHEEBICTVRQO-KOLCDFICSA-N 309.326 -0.127 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCN2C(=O)CCC2=O)n1 1617701539 FEKASGKGPVVZTG-UHFFFAOYSA-N 309.282 -0.310 5 10 DBBE CCC[C@H](O)[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])nc1C 1638801874 QUZGSCPMBYDEBD-UWVGGRQHSA-N 300.315 -0.262 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCC(=O)c1cnn(C)c1 1639764899 HVAJDHIHHKNPQG-UHFFFAOYSA-N 306.282 -0.168 5 10 DBBE O=C(CN1C[C@@H](O)[C@@H](CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 1646102472 ZHZJQYPTHCKYPJ-BXUZGUMPSA-N 321.333 -0.231 5 10 DBBE CN(CCNCC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1731912053 QPORNUWCIKZTET-NXEZZACHSA-N 300.359 -0.386 5 10 DBBE O=C1CN(C2CN(C(=O)c3cccc([N+](=O)[O-])c3F)C2)CCN1 1891017262 DKDZBAUKGVJDLB-UHFFFAOYSA-N 322.296 -0.010 5 10 DBBE C[C@](N)(CO)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2181129306 MOEJMFUBIJLOOE-LLVKDONJSA-N 303.340 -0.276 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]2[C@@H](O)CO)cn1 2286205534 CXQRIMBQISHVLQ-BDAKNGLRSA-N 303.296 -0.894 5 10 DBBE O=c1[nH]cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 21026888 YYLSGQVLXXQWJJ-UHFFFAOYSA-N 312.263 -0.228 5 10 DBBE C[C@H](CN1CCOCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 273109848 QZIIBLDIIGCUKA-LLVKDONJSA-N 311.342 -0.124 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN2C(=O)OCC[C@H]2C1 494318170 QWQBMSWOVCGSOX-QMMMGPOBSA-N 310.270 -0.761 5 10 DBBE Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](O)C[C@H]1C(N)=O 596621996 RLZIVCZWLQAYIN-KOLCDFICSA-N 322.321 -0.238 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)c1cn2c(n1)COCC2 599694897 ANUFGQWOHFHYAX-UHFFFAOYSA-N 306.282 -0.052 5 10 DBBE O=C1[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCC1 600762989 YQFOMWXSZNJROG-OLZOCXBDSA-N 323.353 -0.105 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnn(CC)n1 1266390943 SVXZNSVVTMRYET-VXGBXAGGSA-N 310.358 -0.099 5 10 DBBE COc1coc(COC(=O)Cn2cnc([N+](=O)[O-])n2)cc1=O 1319118699 XBISNLWIHCVZCO-UHFFFAOYSA-N 310.222 -0.109 5 10 DBBE CC(C)(C)[S@@](=O)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 1338961542 XXTGJEGFNYVMTM-FQEVSTJZSA-N 303.344 -0.150 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1C[C@@H](CO)[C@@H](O)C1 1451193376 WNHZABSPMUWPOC-XVKPBYJWSA-N 310.262 -0.251 5 10 DBBE CCC[C@H](O)[C@H](CO)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1642391241 ABTBACCDJKTQAR-ONGXEEELSA-N 313.310 -0.605 5 10 DBBE Cn1nccc1CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1738751584 ZTTJMSPPELTZGG-GHMZBOCLSA-N 321.337 -0.607 5 10 DBBE NC(=O)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)O 1865985972 FRUDZPAUYQNSTH-SECBINFHSA-N 310.266 -0.375 5 10 DBBE NS(=O)(=O)C1CN(c2ncc([N+](=O)[O-])cc2C(=O)O)C1 1915000842 JLUAUUISFVTMFW-UHFFFAOYSA-N 302.268 -0.835 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CNCC[C@@H]2O)c1 2183273167 ZPWDCXUCDUPXDK-QWRGUYRKSA-N 301.324 -0.404 5 10 DBBE NCc1nc(=NS(=O)(=O)c2cncc([N+](=O)[O-])c2)s[nH]1 2187514810 ZCUGQSRWONQFEZ-UHFFFAOYSA-N 316.324 -0.477 5 10 DBBE CN1CCN(Cc2nn(C)cc2[N+](=O)[O-])S(=O)(=O)CC1 2196047405 KNLGZLIRGULSPU-UHFFFAOYSA-N 303.344 -0.595 5 10 DBBE CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50678214 YNVAAZUZTVBNEA-SSDOTTSWSA-N 316.339 -0.020 5 10 DBBE Nc1sc(S(=O)(=O)NC[C@@H]2COCCO2)cc1[N+](=O)[O-] 125465072 ITAYWWZUGRHGIF-ZCFIWIBFSA-N 323.352 -0.068 5 10 DBBE CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 131300792 GCSJRIMHZKXAAN-UHFFFAOYSA-N 317.327 -0.705 5 10 DBBE CNC(=O)[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 298794155 KSQRIMNXRFSYTD-SNVBAGLBSA-N 308.294 -0.507 5 10 DBBE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCNC1=O 597854466 GUMRZDZIMLQHKB-IUCAKERBSA-N 324.341 -0.168 5 10 DBBE O=C(C[C@@H]1CCS(=O)(=O)C1)NCCn1cc([N+](=O)[O-])cn1 1126997806 CRAUDBBEIOAGJF-VIFPVBQESA-N 316.339 -0.268 5 10 DBBE Cn1ncnc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1273084577 SQTKFTGBFKWTML-NXEZZACHSA-N 308.342 -0.391 5 10 DBBE C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C 1444422457 XRLXAVFJXSORKN-CABZTGNLSA-N 322.369 -0.064 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1ccnc1 1581083042 ZISUTKVPFLSWMO-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE Cc1nc(N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)n[nH]1 1583326160 ZLBOCIJGAZFADP-UHFFFAOYSA-N 306.286 -0.293 5 10 DBBE NC(=O)NCCC(=O)NC1CN(Cc2cccc([N+](=O)[O-])c2)C1 1692261405 QEOBGKMYRJOGSG-UHFFFAOYSA-N 321.337 -0.046 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(O)(CN)C1 2154725658 BITXSCQXJYSHJN-UHFFFAOYSA-N 301.324 -0.403 5 10 DBBE CCN=c1ccc([N+](=O)[O-])c(NCCNS(N)(=O)=O)[nH]1 2157531747 GTOAVWREHTXGAF-UHFFFAOYSA-N 304.332 -0.952 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@]2(CF)CCNC2)cn1 2158305249 MCVFCSVCJGIFMY-SNVBAGLBSA-N 304.303 -0.030 5 10 DBBE CO[C@@H]1[C@@H](O)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2286721477 ZXSSXFMRZXXBKR-NRPADANISA-N 303.296 -0.584 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H](O)[C@H](O)[C@H](CO)C1 2289413790 RKKGMEIPKLCFEF-MHYGZLNHSA-N 302.308 -0.558 5 10 DBBE COC[C@@H](O)CN(C)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 47952310 ADSCUBIWWDJDOI-QMMMGPOBSA-N 320.323 -0.072 5 10 DBBE COCCN(C)C(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 87898549 WNGUYBDBLACKDX-UHFFFAOYSA-N 317.323 -0.039 5 10 DBBE C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 342282682 JRKYJCJHOCWYTK-QWRGUYRKSA-N 324.341 -0.492 5 10 DBBE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C2 355495044 GGZSMLPMJCPFIW-ISVAXAHUSA-N 324.293 -0.030 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593541583 CQOXHCYWGCCANO-ZETCQYMHSA-N 300.296 -0.501 5 10 DBBE COC(=O)c1cnc(N2CCN(C)[C@H](CO)C2)c([N+](=O)[O-])c1 1187271177 IWAGAXKLIFSZRW-JTQLQIEISA-N 310.310 -0.111 5 10 DBBE CN(C)CC1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 1285957447 KIATVZBGAXRTPK-GHMZBOCLSA-N 324.381 -0.242 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CN2CCC[C@H]2CO1 1318164674 LWTDLCNMOQGDOQ-UWVGGRQHSA-N 310.314 -0.834 5 10 DBBE CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 1455082208 XBSRMPLQPDBUHL-QMMMGPOBSA-N 312.282 -0.042 5 10 DBBE Nc1ncc(C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 1465612118 CCWKCEFXMFSGEK-QMMMGPOBSA-N 306.282 -0.578 5 10 DBBE CN(C)CCC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1523406186 NYKCGRBWBUCXJE-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE CNC(=O)C1(NC(=O)c2cc([N+](=O)[O-])cn2C)CCOCC1 1535059890 HJZSNQQIWMKQFD-UHFFFAOYSA-N 310.310 -0.042 5 10 DBBE COC(=O)[C@]12CCC[C@H]1CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 1537139042 XHWGENROHIZXJB-ZANVPECISA-N 323.309 -0.012 5 10 DBBE COc1nccc(CN(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1731768907 CIHREOABGHOVPV-GHMZBOCLSA-N 309.326 -0.302 5 10 DBBE O=C(Cc1ccc[nH]1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1738051659 HOTQNLNUGKBLLC-VXGBXAGGSA-N 306.322 -0.203 5 10 DBBE NC(=O)C1(C(=O)NCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)CC1 1745545419 YLXZLXIUHGTLMS-NXEZZACHSA-N 324.337 -0.976 5 10 DBBE Cc1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 1747109285 DKGQXSDATMHHHY-YIZUVKHSSA-N 321.337 -0.204 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)c1 2149266113 IQPUBLSBJACKER-VXNVDRBHSA-N 305.287 -0.120 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1O[C@H]1CS(=O)(=O)C[C@@H]1N 2177959811 UAQLTYZLNXBOOE-YUMQZZPRSA-N 304.328 -0.377 5 10 DBBE CS[C@@H]1CNC[C@@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2205583967 TXRGNSVBAYPRPR-VHSXEESVSA-N 318.380 -0.029 5 10 DBBE CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50678210 KZQPXGSLONNNDR-SSDOTTSWSA-N 316.339 -0.020 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CNCCO2)ccc1O 157394692 VGZHURNOASUPBQ-QMMMGPOBSA-N 317.323 -0.433 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1c([N+](=O)[O-])c(C)nn1C 596433485 HBQLJEZAHARZDV-SFYZADRCSA-N 304.328 -0.139 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@H]1CCCN2CCO 1158509605 XHAVOOLPMFULMG-QWHCGFSZSA-N 323.353 -0.151 5 10 DBBE CNC(=O)C1(NC(=O)c2c([N+](=O)[O-])cnn2C)CCOCC1 1177998997 VXOJMAQUGDQWQB-UHFFFAOYSA-N 311.298 -0.647 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)OCCC1CS(=O)(=O)C1 1321034377 DQMSPZYERSINTP-UHFFFAOYSA-N 303.296 -0.231 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](N2CCC2)[C@@H](F)C1 1328361132 ZHYDODPUHDLLIN-VHSXEESVSA-N 312.305 -0.169 5 10 DBBE CCO[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1CN 1328845687 CQGBMKBXYYNGFL-ZWNOBZJWSA-N 324.337 -0.421 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCn2c(O)nnc2C1 1337953550 LZVCDNGNYAIHFD-UHFFFAOYSA-N 321.297 -0.171 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@@H](C)S(C)(=O)=O)c1 1559359843 WJODCGSZTSPFMT-SSDOTTSWSA-N 318.307 -0.024 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC(=O)[C@]1(F)CCS(=O)(=O)C1 1587348199 KUKJIPJBWVSQBW-VIFPVBQESA-N 306.275 -0.206 5 10 DBBE NC(=O)CCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1629297394 XSFTTZLXVUCMCW-UHFFFAOYSA-N 307.310 -0.096 5 10 DBBE COCCN(CCNC(=O)C(C)(C)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1681082362 QFSFCHFXJUYQNS-NXEZZACHSA-N 319.333 -0.009 5 10 DBBE CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 1867358721 VWFLSONLWRIZMS-RKDXNWHRSA-N 322.321 -0.036 5 10 DBBE NS(=O)(=O)C1CN(c2c(C(=O)O)cccc2[N+](=O)[O-])C1 1915001214 MZSLSPJANJSHTE-UHFFFAOYSA-N 301.280 -0.230 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(CO)C1 2148959531 ZJXRLOIQCRSMSJ-UHFFFAOYSA-N 302.312 -0.507 5 10 DBBE NC(=O)CN(CC(N)=O)c1cc(N)c([N+](=O)[O-])cc1Cl 2234245110 ZRVJKCYODMKOGC-UHFFFAOYSA-N 301.690 -0.393 5 10 DBBE NC(=O)[C@H]1COCCN1C(=O)c1ccnc(Cl)c1[N+](=O)[O-] 158167572 OIXKSRJJXIAVMG-SSDOTTSWSA-N 314.685 -0.031 5 10 DBBE COCC[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 312156921 RTVURKYLDYDSMM-MRVPVSSYSA-N 305.312 -0.335 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 313712069 UQQKNDVUWFKLLL-LJQANCHMSA-N 322.368 -0.463 5 10 DBBE O=C(NC1CC1)N[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 355135748 SGLPKPAGLCEPJJ-SECBINFHSA-N 323.313 -0.751 5 10 DBBE Cc1c(NC(=O)C(=O)N2C[C@@H](O)C[C@@H](O)C2)cccc1[N+](=O)[O-] 610606703 QHROHJKTHLXYLX-AOOOYVTPSA-N 323.305 -0.204 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)COC(C)(C)C)n1 861327053 SKYGKDDAUSCYMW-UHFFFAOYSA-N 320.327 -0.052 5 10 DBBE CCS(=O)(=O)NCCCNC(=O)c1nn(C)cc1[N+](=O)[O-] 1324841493 KUZXNSDIWIXTSC-UHFFFAOYSA-N 319.343 -0.613 5 10 DBBE O=C(NCc1nnc2n1CCNC2=O)c1ccc([N+](=O)[O-])s1 1438913494 COVJPTISOHITQK-UHFFFAOYSA-N 322.306 -0.079 5 10 DBBE C[C@]1(CO)C[C@@H](O)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1453747469 NNLRDPIFABHBOY-ZWNOBZJWSA-N 311.294 -0.899 5 10 DBBE O=Cc1ccc(OCC(=O)N[C@H]2C[C@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 1455993494 UQZUQXIFRMUAQB-WLLOZRIZSA-N 324.289 -0.214 5 10 DBBE O=[N+]([O-])c1ccn(CCN2CCN3CCOC[C@@]3(CO)C2)n1 1460850615 PZZBYYCRUQMSEL-ZDUSSCGKSA-N 311.342 -0.830 5 10 DBBE C[C@H]1c2nncn2CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1556199451 MEAUHXVGGXPVJQ-VIFPVBQESA-N 318.293 -0.049 5 10 DBBE O=C(NCCS(=O)(=O)N1CCCC1)c1n[nH]cc1[N+](=O)[O-] 1598081109 BBANXZRTQPOHCX-UHFFFAOYSA-N 317.327 -0.527 5 10 DBBE C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)CN1CCO 1643089431 HPVGHZGBZDDSIV-UWVGGRQHSA-N 312.330 -0.900 5 10 DBBE NC[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 2062352188 DVCRLKXNPFWPNZ-SCSAIBSYSA-N 315.760 -0.092 5 10 DBBE CNS(=O)(=O)C1CN(c2ncnc(Cl)c2[N+](=O)[O-])C1 2130749391 PTIMFIWVMHSOKJ-UHFFFAOYSA-N 307.719 -0.224 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@H]1CCS(=O)(=O)C(C)(C)C1 2159178306 IQYYHCRBLCHOPA-ZETCQYMHSA-N 303.344 -0.087 5 10 DBBE NNc1cccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)c1[N+](=O)[O-] 2177964278 XWYJLTZTRRJPBS-BDAKNGLRSA-N 302.312 -0.550 5 10 DBBE O=[N+]([O-])c1cc(Cl)cnc1N1CC2(C1)OC[C@H](O)[C@@H]2O 2183728000 MNANXZJZEDXLTR-IUCAKERBSA-N 301.686 -0.046 5 10 DBBE CO[C@H]1C[C@H]1NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 2188224168 VHCPCQYQJYGDLN-SFYZADRCSA-N 302.312 -0.054 5 10 DBBE COc1cc(CO)ccc1S(=O)(=O)N1CC([N+](=O)[O-])C1 2191528159 GGOJMWLWFPMEQS-UHFFFAOYSA-N 302.308 -0.163 5 10 DBBE O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1NC[C@@H](O)[C@H]1O 2357926588 KNZWRRXFHMBDTJ-KXUCPTDWSA-N 301.686 -0.120 5 10 DBBE CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 36265012 ICPLRBSVDSCHCQ-QWRGUYRKSA-N 301.324 -0.140 5 10 DBBE Nc1cc(S(=O)(=O)N[C@H]2CCC(=O)NC2)ccc1[N+](=O)[O-] 132648670 CALFTLLBJFUXDF-ZETCQYMHSA-N 314.323 -0.266 5 10 DBBE O=C(NC(CO)(CO)CO)c1ccc(Cl)cc1[N+](=O)[O-] 236491847 CPYUQUJCHPTOGU-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE O=C(O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 370420500 JIVCOXLUYLBOFT-RITPCOANSA-N 322.320 -0.135 5 10 DBBE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 376421106 NUERHCNFJDNJKW-WUHRBBMRSA-N 324.381 -0.149 5 10 DBBE CN1CC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O 425470259 HAPIAAFWSDTWPZ-SNVBAGLBSA-N 324.341 -0.041 5 10 DBBE O=C1N[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1 496517625 GMFNKFDSPUZEOU-SNVBAGLBSA-N 321.293 -0.253 5 10 DBBE COC(=O)[C@@](C)(NC(=O)[C@@H]1CC(=O)N1)c1cccc([N+](=O)[O-])c1 600523124 MPPZEDNDSOENQM-HZMBPMFUSA-N 321.289 -0.012 5 10 DBBE COc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ncn1 839726069 SFTSKSYWXQNOIN-NXEZZACHSA-N 307.310 -0.201 5 10 DBBE Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 1285910873 QWUGRHIYVRTVJN-PSASIEDQSA-N 307.310 -0.238 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(CO)(CO)C2)n1 1328054534 CMFZWRQZGCVXHS-UHFFFAOYSA-N 311.294 -0.043 5 10 DBBE CCCNC(=O)CN1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 1501219127 AMICGWCQBHEZRV-YVECIDJPSA-N 324.381 -0.432 5 10 DBBE O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnn2c1CCC2 1522902566 ZSVOGXXGPDBFCW-BXKDBHETSA-N 321.337 -0.269 5 10 DBBE CCN(CCNC(=O)c1nonc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1528931895 ZPTNWNGKPUSJBY-RKDXNWHRSA-N 311.298 -0.378 5 10 DBBE CC1(C)O[C@H]2C[C@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)C[C@H]2O1 1538929903 PIYSEVJYWYRTQI-PSVAKVPMSA-N 311.298 -0.015 5 10 DBBE CNC(=O)[C@@H](O)CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] 1611150092 UPNMXUGXTJBTPU-NSHDSACASA-N 313.285 -0.110 5 10 DBBE CN1CCOC[C@@]1(CO)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 1652236945 XCWLHQZEZQVRTK-AWEZNQCLSA-N 324.337 -0.201 5 10 DBBE O=C(CCCn1cncn1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1704552388 DBKHLTHOPXCSBE-GHMZBOCLSA-N 322.325 -0.950 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CCOC[C@@H]1[C@@H](O)CO 2146323606 NCHLSVBPTIEINW-SFYZADRCSA-N 304.690 -0.403 5 10 DBBE CCn1cc(S(=O)(=O)N2CC([N+](=O)[O-])C2)cc1C(=O)O 2191535347 JDJOEUKUQZMEKH-UHFFFAOYSA-N 303.296 -0.144 5 10 DBBE O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1NC[C@@H](O)[C@@H]1O 2201151045 XCAPXJXOIHPWPA-BBBLOLIVSA-N 301.686 -0.120 5 10 DBBE C[C@@H](CO)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 122573710 ZUSZIWGUQPYBDU-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 363651784 OPWJTURDFNHJQV-GRYCIOLGSA-N 310.354 -0.408 5 10 DBBE CN(CCCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 380461415 RNSPEJCLWKIXEF-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE O=C1NC2(CCC2)C(=O)N1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 438724255 OGVHCBXCVIRALL-VIFPVBQESA-N 309.282 -0.373 5 10 DBBE Cc1nc(CN2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)n[nH]1 548938365 YLONDFCIWVJLTD-UHFFFAOYSA-N 320.313 -0.298 5 10 DBBE CCn1cc(S(=O)(=O)NC[C@](C)(CO)OC)c([N+](=O)[O-])n1 594484373 JLFURKMVWVOPHU-SNVBAGLBSA-N 322.343 -0.513 5 10 DBBE Nc1nc(N2CCC(N3CC[C@H](O)C3)CC2)ncc1[N+](=O)[O-] 596539231 NBGDHKCLRMREBC-JTQLQIEISA-N 308.342 0.002 5 10 DBBE CNC(=O)NC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCO1 600230127 OGCUONPCCGVPJO-JTQLQIEISA-N 323.309 -0.240 5 10 DBBE Nc1cccc(S(=O)(=O)N[C@@H]2CCNC2=O)c1[N+](=O)[O-] 693960694 SVVFTXQFCGHLQE-SSDOTTSWSA-N 300.296 -0.656 5 10 DBBE CN(C[C@@H]1CCCS1(=O)=O)c1ncnc(N)c1[N+](=O)[O-] 693991424 MHLTWDIRRKYQDT-ZETCQYMHSA-N 301.328 -0.020 5 10 DBBE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)Cn1cnc([N+](=O)[O-])n1 1129805793 WJXACBUVEZQZEV-SECBINFHSA-N 310.314 -0.298 5 10 DBBE CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CCNC1=O 1139077816 JPUPEBPWJOSNIO-VIFPVBQESA-N 308.294 -0.507 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](CO)CN1CCCCC1 1157549155 NDXBIZKQSOKNET-JTQLQIEISA-N 311.342 -0.095 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1C[C@H](O)CC(F)(F)C1 1320651894 DNAXPKBVMYHMLO-MRVPVSSYSA-N 317.248 -0.015 5 10 DBBE NC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 1332612464 LQRSJAUINOIIRZ-QMMMGPOBSA-N 314.323 -0.124 5 10 DBBE O=Cc1ccc(OCC(=O)N[C@@H]2COC[C@H]2O)c([N+](=O)[O-])c1 1627695624 RFPITYQTVWQKFJ-MWLCHTKSSA-N 310.262 -0.338 5 10 DBBE CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1nc[nH]n1 1699543670 UFPNUPAOEFTHHY-UHFFFAOYSA-N 322.329 -0.302 5 10 DBBE C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCNC=O 1859174784 YZBAXBLHPRJXAA-JTQLQIEISA-N 322.321 -0.035 5 10 DBBE O=[N+]([O-])c1cnc(=NCCNS(=O)(=O)C(F)(F)F)[nH]c1 2159530620 JZWHUIUPAVHKHW-UHFFFAOYSA-N 315.233 -0.342 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2174116355 NDDCBLBHJYXTTD-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE Nc1c([N+](=O)[O-])ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)c1F 2177844737 GLMLFEJRKIPYPT-POYBYMJQSA-N 305.287 -0.114 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCNC(=O)CC2)c([N+](=O)[O-])c1 62102151 GINXPTFJQFZAOW-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE N[C@H](Cn1cc(Br)cc([N+](=O)[O-])c1=O)C(=O)O 88117504 LQCHTNGTKXJAOV-RXMQYKEDSA-N 306.072 -0.069 5 10 DBBE C[C@@H](CO)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 122570043 ATKWBXXLOJNDBR-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE CNC(=O)[C@H]1COCCN1c1nc(Cl)ncc1[N+](=O)[O-] 234350328 QYCVKTUGUOVGFY-SSDOTTSWSA-N 301.690 -0.011 5 10 DBBE Cc1nc(NN)nc(NCCCS(C)(=O)=O)c1[N+](=O)[O-] 235789006 YYFOCNKBJSWYJT-UHFFFAOYSA-N 304.332 -0.175 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)ccc1F 236601015 ZELVEUMPJNGHGR-UWVGGRQHSA-N 306.271 -0.540 5 10 DBBE NCCCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 419827949 GCHFYTPXTLYFIM-UHFFFAOYSA-N 322.321 -0.351 5 10 DBBE C[C@@H](CNC(=O)c1cc(N)ncc1[N+](=O)[O-])S(C)(=O)=O 697589371 QYDSOKWPFAXMLD-LURJTMIESA-N 302.312 -0.265 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCNC[C@@H]2O)c1 710423772 WTCSTKAVVPAQGZ-QWRGUYRKSA-N 301.324 -0.404 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CCO)C2CC2)n1 859014195 YBWSTTPYUBIGMJ-QMMMGPOBSA-N 304.328 -0.232 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)COC(C)=O)n1 1154151885 KYMAJJPIOJLEEK-MRVPVSSYSA-N 300.271 -0.535 5 10 DBBE C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334932745 DVYZIDUIFGEBTD-JGVFFNPUSA-N 303.344 -0.171 5 10 DBBE CONC(=O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 1538746934 GVRYOLJIWSESIB-UHFFFAOYSA-N 311.250 -0.227 5 10 DBBE O=C1CC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C(=O)N1 1623448584 DYVYGGHTZTZUMD-GXSJLCMTSA-N 307.262 -0.450 5 10 DBBE C[C@@H]1CO[C@H](CO)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1630519991 NYANQQYBESNRPP-ZJUUUORDSA-N 311.294 -0.635 5 10 DBBE CC(=O)c1cn(C2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)nn1 1653506652 LRRQTRRTTTWRMG-UHFFFAOYSA-N 305.254 -0.191 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccn(C)c(=O)c1 1663381779 PAEGAPSWHLUVSF-CHWSQXEVSA-N 322.365 -0.011 5 10 DBBE CN=c1[nH]c(N[C@H]2CS(=O)(=O)C[C@H]2C)ncc1[N+](=O)[O-] 2157679873 GUVSBDVRZGTXIE-RQJHMYQMSA-N 301.328 -0.307 5 10 DBBE C[C@H]1[C@@H](O)CN1S(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 2182522735 HSYFHIQMQOJVTQ-RCOVLWMOSA-N 302.312 -0.366 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1cccc(N)c1[N+](=O)[O-] 2192655207 FCVAHORXJWZWBL-ZJUUUORDSA-N 300.340 -0.026 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 2192677842 PHUTUDDFFNNUEN-HTRCEHHLSA-N 303.296 -0.697 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 50674144 QTACLHHHKPKKTL-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC(=O)N1 79937857 SKVLFYSXGDZKLA-ZETCQYMHSA-N 314.323 -0.266 5 10 DBBE C[C@@H](O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)O 97677085 MFOXJSISHFNLSY-ANLVUFKYSA-N 322.270 -0.154 5 10 DBBE CC1(C)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCS1(=O)=O 268361541 KLRUYPXWIHAOCV-UHFFFAOYSA-N 316.339 -0.173 5 10 DBBE C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCN1CCO 302375205 FUJNOPHRDNYXBP-VIFPVBQESA-N 309.326 -0.409 5 10 DBBE CC(C)(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)n1cc([N+](=O)[O-])cn1 594394601 YLEAZOQEGHXRKB-CMPLNLGQSA-N 323.353 -0.196 5 10 DBBE CC[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1O 599269481 TWEJVWRXOVCIFK-IONNQARKSA-N 304.328 -0.280 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H](O)CO 698918619 KIVLMONFXKCSCU-PSASIEDQSA-N 304.324 -0.077 5 10 DBBE CCNS(=O)(=O)CCNC(=O)Cn1c([N+](=O)[O-])cnc1C 1136633751 ZHPDRCFZNXKCFY-UHFFFAOYSA-N 319.343 -0.845 5 10 DBBE Cc1[nH]nc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 1441047741 FSEUEENHMIUXMA-SSDOTTSWSA-N 302.312 -0.209 5 10 DBBE CN(CCNC(=O)Cn1cnnn1)Cc1cccc([N+](=O)[O-])c1 1492191371 QDRYRLNHAZSBRA-UHFFFAOYSA-N 319.325 -0.171 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)c1C 1759001321 JJTDYQIOVQZCAP-ZYHUDNBSSA-N 323.353 -0.028 5 10 DBBE O=[N+]([O-])C1CN(c2nc(Cl)nc3c2S(=O)(=O)CC3)C1 1876148074 CNKDKFIUZNLZOA-UHFFFAOYSA-N 304.715 -0.075 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC[C@H]2CO)cc1[N+](=O)[O-] 2148959517 ZFJOUVWHDJUGMF-ZETCQYMHSA-N 302.312 -0.364 5 10 DBBE C[C@@]1(O)CON(S(=O)(=O)c2c(N)cccc2[N+](=O)[O-])C1 2149796455 DWDHUXGKAASATE-JTQLQIEISA-N 303.296 -0.136 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@H]1CCCN1C 2156821978 XEVHUUJHTANHAB-MRVPVSSYSA-N 303.344 -0.159 5 10 DBBE CC(C)c1nn(C)c(NCCNS(N)(=O)=O)c1[N+](=O)[O-] 2157534523 KXFLBYJYCVEDDE-UHFFFAOYSA-N 306.348 -0.343 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@H]2CS(=O)(=O)C[C@@H]2O)c1[N+](=O)[O-] 2177956698 UTDXJVOAEHWMRJ-WDSKDSINSA-N 322.730 -0.662 5 10 DBBE CN=c1[nH]c(N2CC[C@H](S(C)(=O)=O)C2)ncc1[N+](=O)[O-] 2179917913 VCQQHXPQIZLNIU-ZETCQYMHSA-N 301.328 -0.528 5 10 DBBE CC(C)CNC[C@@H](O)Cn1c(=O)c([N+](=O)[O-])cn(C)c1=O 123527540 QURHOOLJUTUSNG-SECBINFHSA-N 300.315 -0.938 5 10 DBBE Nc1cccc(S(=O)(=O)NCC(=O)NC2CC2)c1[N+](=O)[O-] 126927709 GFHFGPCYQXFZOL-UHFFFAOYSA-N 314.323 -0.266 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccn(-c2ccncc2)n1 356117160 BVFDGODVDXKTMP-UHFFFAOYSA-N 314.265 0.406 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@]1(C(=O)O)CCCOC1 600878241 PEXWRQWZJBASJO-LBPRGKRZSA-N 312.282 -0.211 5 10 DBBE C[C@@H](O)[C@@H](O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 717414336 IJWFVPJWLNVNBR-LDWIPMOCSA-N 306.296 -0.680 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H](O)CO 722300077 UXLTWPAGSMRUCI-LHLIQPBNSA-N 305.312 -0.803 5 10 DBBE C[C@@H]1OCC[C@]12CN(C(=O)Cn1cnc([N+](=O)[O-])n1)CCO2 1116874958 XENQIAMMZPDQPW-CABZTGNLSA-N 311.298 -0.407 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC(=O)C[C@]1(C)CCS(=O)(=O)N1 1272513441 LOQONTYZMPSMOW-JTQLQIEISA-N 317.327 -0.261 5 10 DBBE O=C(Cn1cc(C2CC2)nn1)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1292717796 LROGPKFLWPJPCN-MWLCHTKSSA-N 322.325 -0.947 5 10 DBBE CNC(=O)CN1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1324864687 RCKJUDSVGVIPTN-GHMZBOCLSA-N 312.370 -0.384 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@H]2CC2(F)F)n1 1328947399 ZBVDHIPDPLHBLU-SCSAIBSYSA-N 310.238 -0.212 5 10 DBBE O=C(CNC(=O)N1CCCC1)NCCn1cc([N+](=O)[O-])cn1 1445744032 MRPHUGMVDJJZBI-UHFFFAOYSA-N 310.314 -0.287 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3O)C[C@@H]2C1=O 1454816524 IZIQIIGHBDRGKR-AOOOYVTPSA-N 319.273 -0.013 5 10 DBBE Cc1[nH]nc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C 1527998101 YMRAYCAFPXRBCB-NXEZZACHSA-N 309.326 -0.120 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 1635514910 ZOCIXIMZLXXJMD-HORACTTISA-N 313.339 -0.302 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO 1643803661 SHVVYYBGOVFNCF-VHSXEESVSA-N 309.326 -0.391 5 10 DBBE O=C(CC1CC1)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1734817954 RRHGRMUSEPFFTI-GHMZBOCLSA-N 311.338 -0.469 5 10 DBBE C[C@H](CO)N(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1857986656 IKDHFJSLVMCTGG-SECBINFHSA-N 304.324 -0.041 5 10 DBBE NCCN(CCO)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2152161082 GEMNHDFSJDJZMH-UHFFFAOYSA-N 303.340 -0.322 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@@H]1CCN(C)C1 2156821904 WGMDOVNDCYVYDD-MRVPVSSYSA-N 303.344 -0.301 5 10 DBBE C[C@H]1CNC(=O)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 2181166929 FDAHOVSLCDHFKF-YFKPBYRVSA-N 320.352 -0.253 5 10 DBBE CCCc1ncc([N+](=O)[O-])c(=NCCCS(N)(=O)=O)[nH]1 2286714232 DQWMLXBKRHDCPL-UHFFFAOYSA-N 303.344 -0.150 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCS(N)(=O)=O 40384161 MCVWRYBHSKNFBV-UHFFFAOYSA-N 323.352 -0.530 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2CCCNC2=O)c([N+](=O)[O-])c1 50661714 LOSBKZDMNCCKMK-MRVPVSSYSA-N 314.323 -0.266 5 10 DBBE C[C@H](O)CN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 281478523 FVUVBCIPKZOOMF-UWVGGRQHSA-N 311.342 -0.145 5 10 DBBE NC(=O)CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1=O 413417518 DJIDZPQBWIGKHR-UHFFFAOYSA-N 313.701 -0.223 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)n1 494590382 ORGCZDATIJNZON-MRVPVSSYSA-N 309.282 -0.005 5 10 DBBE CN(C[C@@H]1COCCO1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599341384 JGLMKJKMMFFEKN-MRVPVSSYSA-N 320.327 -0.636 5 10 DBBE O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC(O)(CO)C1 854674506 ZLHQSDQKBVDELI-GFCCVEGCSA-N 321.289 -0.347 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC(N3CCOCC3)C2)n1 911640536 VYOCMZCUVBFXFO-UHFFFAOYSA-N 309.326 -0.032 5 10 DBBE CNC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CCO1 1296233837 KCHMFOIDORDKGM-LLVKDONJSA-N 308.294 -0.236 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1ccnn1 1528845629 SZUOLHVVGKMJLU-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE CN1CC2(CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)OC1=O 1626773522 XMWODOIOZXJUQA-UHFFFAOYSA-N 322.277 -0.581 5 10 DBBE CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 1644872746 RYXQNOHQSKQHRI-UHFFFAOYSA-N 322.321 -0.163 5 10 DBBE CN(C)CCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1759916869 QVBNRYZCHCGYFP-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE CS(=O)(=O)[C@@H]1CCC[C@]1(C(=O)O)n1cnc([N+](=O)[O-])n1 2144984570 PUDXPHHAVITZDQ-MUWHJKNJSA-N 304.284 -0.437 5 10 DBBE NCCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2152162001 LSTNHVHOXPGUDJ-UHFFFAOYSA-N 307.303 -0.324 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COC[C@@H]2O)cc1 2154108966 NRPZFMKOYKBSKB-KCJUWKMLSA-N 302.308 -0.120 5 10 DBBE Cc1c([N+](=O)[O-])ccnc1CO[C@H]1CS(=O)(=O)C[C@H]1N 2177957725 BKRDVRXHNZNYMD-KCJUWKMLSA-N 301.324 -0.061 5 10 DBBE COCCS(=O)(=O)CCN=c1[nH]cnc(F)c1[N+](=O)[O-] 2204672820 BGCARKAATFUSRX-UHFFFAOYSA-N 308.291 -0.581 5 10 DBBE CN=c1[nH]c(=NCC[S@@](=O)CCOC)[nH]cc1[N+](=O)[O-] 2207019163 ULXRFWZADSLRHA-HXUWFJFHSA-N 303.344 -0.923 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@@H]2CS(=O)(=O)C[C@@H]2OC)[nH]1 2238916780 WWANSNGFVHWDSG-APPZFPTMSA-N 304.328 -0.543 5 10 DBBE CS(=O)(=O)C[C@@H](N)C(=O)Nc1c(O)cccc1[N+](=O)[O-] 2360559781 BQUIOKFZIBCSGC-ZCFIWIBFSA-N 303.296 -0.389 5 10 DBBE O=C(O)[C@@H](CO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 21008969 PEGPYMGJFSQYOQ-ZCFIWIBFSA-N 306.252 -0.976 5 10 DBBE N[C@H](CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O)C(=O)O 88117648 MAYBKCXQFOGEPK-SSDOTTSWSA-N 315.263 -0.849 5 10 DBBE COC[C@](C)(CCO)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 132556631 IOUKHTYLLLRPDW-NEPJUHHUSA-N 302.331 -0.471 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN3CCOC[C@H]3C2)c1 348767303 VZXHTUVSLYNUGQ-OLZOCXBDSA-N 311.342 -0.831 5 10 DBBE CN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1=O 594865744 QBHYNIFWTHTZQI-UHFFFAOYSA-N 314.323 -0.157 5 10 DBBE Cn1ccnc1COCC(=O)NCCn1cc([N+](=O)[O-])cn1 597409712 GGCWLBJSDNYDBC-UHFFFAOYSA-N 308.298 -0.142 5 10 DBBE Cc1cc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 599237313 JOHMAEKSJKKBQO-UHFFFAOYSA-N 300.300 -0.162 5 10 DBBE CCN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 619801991 SAKNZUKOQBMIOB-JTQLQIEISA-N 308.294 -0.507 5 10 DBBE CCN(CCNC(=O)Cc1cnc[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1284650288 IDUXXTVJGPYZEK-GHMZBOCLSA-N 309.326 -0.418 5 10 DBBE CN1CCC(CCO)(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1295927015 MSCUQVQALNETIZ-UHFFFAOYSA-N 311.342 -0.095 5 10 DBBE Cc1c[nH]c(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1299160599 TYTNHQRUSGKTBX-RKDXNWHRSA-N 307.310 -0.238 5 10 DBBE CC(=O)N1CCC(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1435085716 ZMIXEJADTKQGGC-UHFFFAOYSA-N 310.314 -0.439 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)n1 1524219818 VIKVRKWHFZAPAB-QMMMGPOBSA-N 316.339 -0.117 5 10 DBBE Cn1cc(CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1535162367 DRWJAIOFFRMSQI-GHMZBOCLSA-N 321.337 -0.607 5 10 DBBE NC(=O)CN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 1545510618 HJOPOBVLPPAZFS-ZDUSSCGKSA-N 322.321 -0.742 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)COCC(F)F 1582946734 WQIHIRBMJBXCJB-RKDXNWHRSA-N 323.296 -0.150 5 10 DBBE Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1625896081 FZXLOKKGBNPUSW-MWLCHTKSSA-N 320.305 -0.094 5 10 DBBE CON(C)C1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 1651458006 WSRXLOKHJWHOAF-UHFFFAOYSA-N 316.339 -0.076 5 10 DBBE NC[C@H]1COC[C@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2154120866 WDXAMZSWSFEEKR-OIBJUYFYSA-N 302.312 -0.758 5 10 DBBE O=C(O)[C@H](Nc1ccc([N+](=O)[O-])cn1)C1CS(=O)(=O)C1 2197525220 MZNNLPQRAMOTBA-SECBINFHSA-N 301.280 -0.101 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)CCS(N)(=O)=O 70214192 HDLFONPHFRPAGY-UHFFFAOYSA-N 308.337 -0.035 5 10 DBBE Cc1nn(C[C@@H](O)CNCC[S@@](C)=O)c(C)c1[N+](=O)[O-] 158075541 CYECAFZMYRWEBL-FVINQWEUSA-N 304.372 -0.263 5 10 DBBE C[C@@H](O)[C@H](NS(=O)(=O)c1cncc([N+](=O)[O-])c1)C(=O)O 312254019 FYVOPUOICCWDCH-XRGYYRRGSA-N 305.268 -0.898 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)s1 576173286 LCWZZHUISSNZLV-RNFRBKRXSA-N 308.337 -0.370 5 10 DBBE Nc1nc(N2CCC[C@H](S(N)(=O)=O)C2)ccc1[N+](=O)[O-] 707192032 XTMMJAIYKUOFRO-ZETCQYMHSA-N 301.328 -0.171 5 10 DBBE O=C(NCc1nnc2n1CCNC2=O)c1ccccc1[N+](=O)[O-] 1133176588 DVERDJCXQQIMPG-UHFFFAOYSA-N 316.277 -0.140 5 10 DBBE O=C(NC[C@@]12COCCN1C(=O)OC2)c1cc([N+](=O)[O-])n[nH]1 1152193653 DISBCFPKFVAATD-NSHDSACASA-N 311.254 -0.731 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCC(O)CC1 1298020075 NIKJIOWVRIQVOY-UHFFFAOYSA-N 311.342 -0.327 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCc2nnc(S)n2C)n1 1319892872 OFHUBPVLKCGUEG-UHFFFAOYSA-N 311.327 -0.282 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1 1321199533 PHXMJXOGAZWLRE-SFYZADRCSA-N 309.282 -0.101 5 10 DBBE COC(=O)[C@@](C)(O)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 1447456943 SQQCINCCQBISND-LBPRGKRZSA-N 314.298 -0.433 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1C(=O)CCCC1=O 1618289698 LLMAOUJIEKWNFK-UHFFFAOYSA-N 309.282 -0.403 5 10 DBBE COc1c(C(=O)NC[C@@H](O)Cn2ccnn2)cccc1[N+](=O)[O-] 1637560270 WJGMLYBNLUUOQC-SECBINFHSA-N 321.293 -0.014 5 10 DBBE CCn1nncc1CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1687475753 ROYYVGQWWZDBQS-VXGBXAGGSA-N 308.342 -0.393 5 10 DBBE Cc1ccc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(O)n1 1721079462 TZHKFGAOORABQI-GHMZBOCLSA-N 322.321 -0.051 5 10 DBBE CN1[C@@H](CN=c2[nH]cnc(Cl)c2[N+](=O)[O-])CCS1(=O)=O 2145345682 CWSAQSMRBGLJQF-ZCFIWIBFSA-N 321.746 -0.094 5 10 DBBE NC[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2154121257 XYANSSDBNJHXSJ-APPZFPTMSA-N 302.312 -0.758 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CC2(C1)OC[C@H](O)[C@H]2O 2183652879 ZBXGRPWSBWLTFE-DTWKUNHWSA-N 302.308 -0.541 5 10 DBBE O=C(O)[C@H](Cc1ncns1)NC(=O)N1CC([N+](=O)[O-])C1 2191517613 YVQWQPPXIQNFRV-LURJTMIESA-N 301.284 -0.796 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(CS(N)(=O)=O)C1 2194426490 OHMLGICEHZMFKY-UHFFFAOYSA-N 302.312 -0.706 5 10 DBBE Cn1c(O)nnc1NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 2199529400 RIDNTZXEGWTAQV-UHFFFAOYSA-N 320.312 -0.127 5 10 DBBE CS[C@H]1COC[C@@H]1N=c1[nH]c(NN)nc(C)c1[N+](=O)[O-] 2207539583 UHKLROJQKUACAD-BQBZGAKWSA-N 300.344 -0.057 5 10 DBBE O=C(CN1C[C@H](O)C[C@@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 185177211 HRDGXCFVLHKBSI-CHWSQXEVSA-N 321.333 -0.089 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 312631860 YHTBHLJPPDFPID-UHFFFAOYSA-N 306.275 -0.320 5 10 DBBE CC(C)OC[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1 548110302 RUJLUUZJKXSHEY-SNVBAGLBSA-N 313.314 -0.161 5 10 DBBE NC(=O)C(Nc1ncc([N+](=O)[O-])cc1Br)C(N)=O 695352511 ALRCWUNSBCMGBP-UHFFFAOYSA-N 318.087 -0.497 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)cn1 710866503 MWZTZYUOQCEGQB-RKDXNWHRSA-N 303.296 -0.582 5 10 DBBE COc1ncc(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)cn1 863441594 AWDZWIKPMRGYDP-UHFFFAOYSA-N 306.282 -0.051 5 10 DBBE COCCN1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1=O 1295177631 OZQSOHLJDYTSOX-UHFFFAOYSA-N 323.309 -0.497 5 10 DBBE NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1=O 1299185578 BVFRLNIVFZZTGR-UHFFFAOYSA-N 312.307 -0.574 5 10 DBBE C[C@]1(CO)C[C@H](O)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1453747465 NNLRDPIFABHBOY-GXFFZTMASA-N 311.294 -0.899 5 10 DBBE Cc1ccc([N+](=O)[O-])c(N2CCN3[C@H](CNS3(=O)=O)C2)n1 1612963289 OCCPZGPOKLELEV-SECBINFHSA-N 313.339 -0.363 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C[C@@H](C)c1nn[nH]n1 1624666224 JAQFPFYWDCHWPL-SSDOTTSWSA-N 308.302 -0.125 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1Cc2cncn2C1 1637157876 FIPDIIWUMFXULG-SECBINFHSA-N 303.278 -0.306 5 10 DBBE CN(CCc1ncon1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1652573209 UFXKGBXJBVYYGW-UHFFFAOYSA-N 307.266 -0.159 5 10 DBBE CN(CC(=O)O)S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1O 2161499727 SQQJKQSCNAAQSA-UHFFFAOYSA-N 305.268 -0.027 5 10 DBBE Nc1ccc([N+](=O)[O-])c(C(=O)NCCCS(N)(=O)=O)c1 50707561 HCPLNZZFTPXIBF-UHFFFAOYSA-N 302.312 -0.415 5 10 DBBE Nc1c(C(=O)NC[C@H]2CN3CCN2CC3)cccc1[N+](=O)[O-] 178968810 ZKHZSNRSXANGMG-JTQLQIEISA-N 305.338 -0.093 5 10 DBBE NC(=O)[C@@]1(O)CCCN(c2cc(CO)sc2[N+](=O)[O-])C1 404362006 FNGMFQHPBNVBNQ-LLVKDONJSA-N 301.324 -0.035 5 10 DBBE Cn1cnnc1N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 594022634 KTGJEPDISHILMQ-UHFFFAOYSA-N 306.330 -0.258 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC(=O)N1CCCO1 600055606 JVMGQCGWBCHWIO-UHFFFAOYSA-N 310.266 -0.963 5 10 DBBE O=[N+]([O-])c1c[nH]ccc1=NCC[C@H]1CNCCS1(=O)=O 721808122 RLRIFSFYIMCDSI-VIFPVBQESA-N 300.340 -0.400 5 10 DBBE O=C(NCC(=O)O[C@H]1CNOC1)NCc1ccc([N+](=O)[O-])cc1 848059204 FCANKFMMLFPSRY-NSHDSACASA-N 324.293 -0.159 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 1192401851 PPQPCAYVMYRQGF-VIFPVBQESA-N 303.344 -0.548 5 10 DBBE CCCN(C)CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1297201384 SIIHIWONFBLIHI-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE CN(CC(=O)NCc1nc(CO)n[nH]1)c1ccccc1[N+](=O)[O-] 1301192085 NOSSXOQIVGIEPZ-UHFFFAOYSA-N 320.309 -0.042 5 10 DBBE C[C@@H](O)[C@@H](O)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 1301669686 FHYFZPSZMIIEIS-KCJUWKMLSA-N 312.278 -0.356 5 10 DBBE COC(=O)[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccnn1C 1326380043 FCFKRZFQYZURPR-VIFPVBQESA-N 322.281 -0.294 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1(c2ncon2)CC1 1456383582 ORQFPBSZCBBXNT-UHFFFAOYSA-N 305.250 -0.055 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccn(C)c(=O)c1 1482596405 QDBGWFQGIWXOPJ-CHWSQXEVSA-N 322.365 -0.059 5 10 DBBE CN(C)C(=O)CNC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1502779088 MHHUXGXGYANUGB-GHMZBOCLSA-N 312.370 -0.290 5 10 DBBE CN(C)CCN1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1540468811 YANGDXLPTBBZTP-UHFFFAOYSA-N 322.369 -0.109 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H](CO)C(F)(F)F 1648317332 RLOJRIDJQRZQHJ-QMMMGPOBSA-N 309.200 -0.204 5 10 DBBE CN(CCCNC(=O)C1=COCCO1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703536823 JWZVSYGSIMLUIU-NXEZZACHSA-N 313.310 -0.496 5 10 DBBE O=C(N[C@H]1CS(=O)(=O)C[C@H]1O)c1ccc([N+](=O)[O-])s1 2121331163 WKWBPOFQDYMXHV-NTSWFWBYSA-N 306.321 -0.456 5 10 DBBE CCN=c1[nH]cc([N+](=O)[O-])c(=NC[C@@H]2CCS2(=O)=O)[nH]1 2150733671 NWDZUOOYUJOROF-ZETCQYMHSA-N 301.328 -0.741 5 10 DBBE Nc1ccc([N+](=O)[O-])c(N2C[C@H](O)[C@H](O)[C@H]2CO)c1Cl 2201053814 KRFGWFMNWCQNFV-VHSKPIJISA-N 303.702 -0.267 5 10 DBBE N[C@H](C(=O)Nc1ncccc1[N+](=O)[O-])C1CS(=O)(=O)C1 2202434503 RUQVXFJUTBDKIV-QMMMGPOBSA-N 300.296 -0.700 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1C[C@H](O)[C@H](O)[C@H](CO)C1 2289409431 XFWLHVMRFJRQEZ-KADJCCMJSA-N 302.308 -0.558 5 10 DBBE COC(=O)[C@H](CF)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 288243539 KTQXLLPCLPOMLS-QMMMGPOBSA-N 301.230 -0.616 5 10 DBBE O=C(C[S@](=O)C[C@@H](O)CO)Nc1ccc([N+](=O)[O-])cc1 526883581 DENOBZRCVNAISW-WVDJIFEKSA-N 302.308 -0.365 5 10 DBBE Cc1[nH]nc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] 592878561 GKNQASNCFDUTKK-VIFPVBQESA-N 324.341 -0.182 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CCNC3)C2)n1 599099163 BDPNMULNMKMSDU-NSHDSACASA-N 315.355 -0.298 5 10 DBBE C[C@H]1C[C@@H](CN)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599099877 FXHPMYBMOVTRKQ-YUMQZZPRSA-N 303.344 -0.314 5 10 DBBE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1CN 599103608 XKEAPIKDKAZYMJ-DTWKUNHWSA-N 317.371 -0.066 5 10 DBBE CNC(=O)NC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCO1 600230131 OGCUONPCCGVPJO-SNVBAGLBSA-N 323.309 -0.240 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2COCC[C@@H]2O)cc1[N+](=O)[O-] 710874639 NQAOYSQHKPSHHE-VDTYLAMSSA-N 323.352 -0.333 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](O)[C@@H](C)O 717400787 FOYDHOKJFLCHQG-PSASIEDQSA-N 304.324 -0.077 5 10 DBBE CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1124463613 HECXGCDCACYEJM-SSDOTTSWSA-N 302.312 -0.413 5 10 DBBE O=C(NC1(CCO)CN(CCn2cccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1329655337 JTLCXQBQRNUMMA-VXGBXAGGSA-N 323.353 -0.899 5 10 DBBE Cn1cc(CCC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1350017055 OSSRSTUJTPEDBX-GHMZBOCLSA-N 324.341 -0.965 5 10 DBBE CCc1nn(C)c(NC[C@H](O)CS(C)(=O)=O)c1[N+](=O)[O-] 1472892471 UQQZNAXNHDRPAJ-ZETCQYMHSA-N 306.344 -0.292 5 10 DBBE COC(=O)[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 1559265395 OCOBBQPORUCWSX-CYBMUJFWSA-N 309.278 -0.192 5 10 DBBE O=C(NCC(=O)N1C[C@@H](CO)[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 1638815288 SZUIWPSXPFUQHH-JQWIXIFHSA-N 323.305 -0.864 5 10 DBBE CN(C)C[C@@]1(O)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 1644123368 BYXHIOIHOIIZSL-ZDUSSCGKSA-N 311.342 -0.294 5 10 DBBE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 1652966830 HJCTUCBURXXIHS-RGOKHQFPSA-N 323.309 -0.110 5 10 DBBE O=[N+]([O-])c1ccccc1CNS(=O)(=O)N1CC[C@@H](O)C1 1914144968 XRDLBACINRPIJZ-SNVBAGLBSA-N 301.324 -0.004 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COC[C@H]2CO)cc1 2146503869 IYFHTSALNLDMHC-KCJUWKMLSA-N 302.308 -0.120 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2CO)cc1 2146503871 IYFHTSALNLDMHC-LDYMZIIASA-N 302.308 -0.120 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](O)[C@@H](F)C1 2149266892 SYVVSHIBPGUNAP-CBAPKCEASA-N 305.287 -0.120 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)c1cccc([N+](=O)[O-])c1O 2152941311 QPAMAJLPVZXYOA-LURJTMIESA-N 303.296 -0.293 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@@H](CO)[C@H](C)O)cc1[N+](=O)[O-] 2174123591 MYVFJZBUSFPQKY-WPRPVWTQSA-N 304.324 -0.077 5 10 DBBE CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2NN)COC1 2189272156 GXOPMOLWVGZZSL-UHFFFAOYSA-N 302.312 -0.052 5 10 DBBE O=C1NCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2200821852 PSWVTNOXVMUPHC-ZETCQYMHSA-N 300.296 -0.596 5 10 DBBE COCC[C@@H](N)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 2233920591 JNYFTUXOBYIBLO-MRVPVSSYSA-N 304.328 -0.368 5 10 DBBE O=Cc1cc(N2CC[C@@](O)(CO)[C@@H](O)C2)c([N+](=O)[O-])s1 2234104432 IYMHUANGPPAVMY-GXSJLCMTSA-N 302.308 -0.237 5 10 DBBE Cc1c(Br)cn(C[C@H](N)C(N)=O)c(=O)c1[N+](=O)[O-] 2317206731 AURVYVWANHNGJG-LURJTMIESA-N 319.115 -0.360 5 10 DBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])nc21)N1CCOCC1 96552249 JWYRPXIWQJHNNK-UHFFFAOYSA-N 322.277 -0.426 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@](O)(CO)C2)cc1 313788429 JDFVBWMAXBMZIZ-LLVKDONJSA-N 302.308 -0.287 5 10 DBBE O=C(c1cc([N+](=O)[O-])cnc1O)N1CCN2CCOC[C@H]2C1 368310164 LAGRLJZQTKYCHW-SNVBAGLBSA-N 308.294 -0.148 5 10 DBBE C[C@@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593591364 UXEGNUGNOHGLGM-GMSGAONNSA-N 314.323 -0.207 5 10 DBBE C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593614151 RUKROIXFHNMXFK-ZETCQYMHSA-N 300.296 -0.202 5 10 DBBE COCCOCCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599315171 KFCIAVOHCDQONT-UHFFFAOYSA-N 322.343 -0.388 5 10 DBBE NC[C@@]1(CO)COCCN1C(=O)c1ccc([N+](=O)[O-])s1 694649549 UQHWSSDXXQOELX-LLVKDONJSA-N 301.324 -0.182 5 10 DBBE O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@@H]1CCNC1=O 769969430 IRLUOYMLLJABDD-SECBINFHSA-N 321.245 -0.066 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](O)[C@@H]2CCCO2)c1 1118960480 XPTZNGUXARRXEO-UTUOFQBUSA-N 300.315 -0.718 5 10 DBBE O=C(CCn1cncn1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357584418 RUFVGIQBJSWGGQ-COUIAZAYSA-N 322.325 -0.878 5 10 DBBE NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1456620508 XZIBFPUHXUPLCC-SSDOTTSWSA-N 302.312 -0.327 5 10 DBBE CC(C)CC(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1487018164 ZJGHUQHNYQQMFA-GHMZBOCLSA-N 313.354 -0.223 5 10 DBBE Cc1cc(C(=O)NC[C@]2(CO)COCCN2)cc([N+](=O)[O-])c1 1642784145 JZWMGKBSWYOGCO-AWEZNQCLSA-N 309.322 -0.016 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nn1nnc2c1CCCC2 1652559623 UDBLTPGLQJPJNG-UHFFFAOYSA-N 318.293 -0.003 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cnc[nH]1 1687462553 WHALOOCMYDDPOJ-GHMZBOCLSA-N 309.326 -0.418 5 10 DBBE NC(=O)CC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)O 1866105841 USDZUZRJUNEPQX-QMMMGPOBSA-N 310.266 -0.176 5 10 DBBE O=C1CN(C2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CCN1 1889939769 SDLQXNZGQIQBCK-UHFFFAOYSA-N 322.296 -0.010 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NC2(CO)CNC2)c1 1918430097 RGMLTUFUKVMUSY-UHFFFAOYSA-N 305.287 -0.654 5 10 DBBE CN(C)C(=O)CS(=O)(=O)CC(=O)c1cc([N+](=O)[O-])c[nH]1 2145870732 UAXHUHITUVCFCZ-UHFFFAOYSA-N 303.296 -0.391 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@H]2CONC2=O)cc1[N+](=O)[O-] 2148979916 CKKCCIAAAPIHJY-QMMMGPOBSA-N 301.280 -0.388 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)c1cccc(N)c1[N+](=O)[O-] 2152961048 NVCICIMYSJFVKT-ZCFIWIBFSA-N 302.312 -0.416 5 10 DBBE O=C(Nc1cc(Cl)ncc1[N+](=O)[O-])[C@@H]1NC[C@@H](O)[C@@H]1O 2201161284 KCAZINHNSWMHIH-VDAHYXPESA-N 302.674 -0.725 5 10 DBBE CS(=O)(=O)CC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cn1 2202440605 APPGWSWFKXRGHD-QMMMGPOBSA-N 302.312 -0.310 5 10 DBBE NCCC(CCN)NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2205690919 QDQNJNZQZLDTQB-UHFFFAOYSA-N 303.344 -0.666 5 10 DBBE NS(=O)(=O)c1ccc(OC[C@H]2CNCCO2)c([N+](=O)[O-])c1 116884216 OTKDYAAENIUUAO-MRVPVSSYSA-N 317.323 -0.391 5 10 DBBE COc1cc([N+](=O)[O-])cc(S(=O)(=O)CCS(N)(=O)=O)c1 157145999 PTZQLLXBFDGPPX-UHFFFAOYSA-N 324.336 -0.334 5 10 DBBE Cn1cc([C@H]2CNCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)cn1 181364816 VWUBALMGFJOSPQ-GFCCVEGCSA-N 319.325 -0.302 5 10 DBBE NS(=O)(=O)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1F 222769174 FLXPWRAXEIRTRI-UHFFFAOYSA-N 309.250 -0.109 5 10 DBBE Cc1nn(C)c(N2CCC[C@]3(C2)NC(=O)NC3=O)c1[N+](=O)[O-] 432929116 PQLNSXZJRMMDCP-GFCCVEGCSA-N 308.298 -0.185 5 10 DBBE C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593591365 UXEGNUGNOHGLGM-OIBJUYFYSA-N 314.323 -0.207 5 10 DBBE CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 599490229 NSPHQOKPMUAKGQ-OTSSQURYSA-N 314.323 -0.126 5 10 DBBE O=C(NCC(=O)N1CCCO1)[C@@H](O)c1cccc([N+](=O)[O-])c1 862086301 KZQPWWLLQPJKLF-LBPRGKRZSA-N 309.278 -0.092 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCNC(CO)(CO)C(F)(F)F 1196285911 WBCWMSSULSTECA-UHFFFAOYSA-N 312.248 -0.025 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(C[C@@H](O)CNC2=O)C1 1303533271 MKNQYBNWDLEGEI-SECBINFHSA-N 321.289 -0.377 5 10 DBBE NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 1323019580 KFLHSHGYZBJJQG-MRVPVSSYSA-N 300.296 -0.507 5 10 DBBE COC[C@H](COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)OC 1327132737 CYLBQHGOXVXIJD-SECBINFHSA-N 300.267 -0.039 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)NC[C@H]3C2)n1 1465612880 XLNLHQRESKPVBC-QMMMGPOBSA-N 308.298 -0.339 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NCCC[C@@H]1C=NNC1=O 1557702092 SNKVENDOEQSYSX-SECBINFHSA-N 308.298 -0.190 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1Cc2ccccc2NC1=O 1557891702 OCKSRPIBBCARCK-SNVBAGLBSA-N 316.277 -0.134 5 10 DBBE CCN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1566751413 NXXGHHNMPGQENS-YVECIDJPSA-N 324.381 -0.195 5 10 DBBE O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc(Cl)no1 1575143035 XKWCIQXJRGSSRR-PHDIDXHHSA-N 302.674 -0.161 5 10 DBBE Cc1cc(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 1577025229 XOIBOKCUDSIRGA-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE O=C1CN(C(=O)COc2ccccc2[N+](=O)[O-])C2(CN1)COC2 1583822753 KEUGJCFUTLFTKA-UHFFFAOYSA-N 321.289 -0.299 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@H](C2OCCO2)C1 1596379446 RMYCBPVDQFICMW-JTQLQIEISA-N 323.305 -0.022 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCC[C@@H](NS(C)(=O)=O)C2)n1 1612667623 ZQDKXCPPGGRQMA-MRVPVSSYSA-N 303.344 -0.154 5 10 DBBE COC(=O)[C@@H](CO)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] 1629335054 LCCAGDIIOGVWSF-SECBINFHSA-N 300.242 -0.074 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1cncc1C 1688397769 JSCVEOBEPNLKCP-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ncccc1O 1720261435 ISQPMUNRPNXDGN-RKDXNWHRSA-N 308.294 -0.312 5 10 DBBE C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCNC=O 1859174785 YZBAXBLHPRJXAA-SNVBAGLBSA-N 322.321 -0.035 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2COC[C@H]2O)c1 2154109510 SEKRQEFVBHBCBZ-GZMMTYOYSA-N 302.308 -0.120 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1C(=O)NCCNS(N)(=O)=O 2157537882 UJXBJIHYOOIDEC-UHFFFAOYSA-N 302.312 -0.574 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnns2)c1 127645560 WFQZDTRUKJKDRO-UHFFFAOYSA-N 317.312 -0.072 5 10 DBBE O=CN1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 170358086 SNSHCKVGMFYPHV-UHFFFAOYSA-N 306.278 -0.166 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(F)(F)C[C@H]2CO)c1 366678165 LQLSVEUINIYHAG-WPRPVWTQSA-N 306.269 -0.146 5 10 DBBE Cn1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(=O)n(C)c1=O 519565926 JRMWJZPLHYYLQN-UHFFFAOYSA-N 320.261 -0.050 5 10 DBBE NS(=O)(=O)c1cccc(N2CCn3nncc3C2)c1[N+](=O)[O-] 583510485 SSXKFECWIHKHKW-UHFFFAOYSA-N 324.322 -0.146 5 10 DBBE COC[C@@](C)(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594759504 OLSYUAXRFLHYRY-JTQLQIEISA-N 305.312 -0.335 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN([C@H]2CCC[C@@H]2O)CC1 609285940 SWMCKUGLKYTDCI-QWRGUYRKSA-N 324.341 -0.756 5 10 DBBE C=CS(=O)(=O)CCC(=O)NCCn1cc([N+](=O)[O-])cn1 1265983001 YNFKWRGZYCZDAQ-UHFFFAOYSA-N 302.312 -0.144 5 10 DBBE CC(C)N(C)C(=O)CNC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1274014652 BGRMBDQYWLTDRK-XLMCQVRKSA-N 312.370 -0.220 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](NC(N)=O)C1 1323131837 LVRYMRUXWQMSMO-SECBINFHSA-N 310.314 -0.241 5 10 DBBE CC(C)OCCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331540602 IFRXPOIUGQXOSA-UHFFFAOYSA-N 320.327 -0.052 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](O)c1ccnn1C 1456197044 WADZIXFQOWRWOO-SNVBAGLBSA-N 308.298 -0.317 5 10 DBBE O=C1CCCN1CCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1472957054 BHODBQUHMBRIBX-VXGBXAGGSA-N 310.354 -0.582 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 1557296047 FLBFEDAYKNWCIN-WDEREUQCSA-N 322.321 -0.966 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1558317868 NHOQHWBNFLUVGF-SNVBAGLBSA-N 320.305 -0.379 5 10 DBBE O=[N+]([O-])c1ncccc1CN1CCN2CCOC[C@@]2(CO)C1 1560178147 OSGRKNSQRRLBBW-AWEZNQCLSA-N 308.338 -0.131 5 10 DBBE O=C(N[C@H]1CC[C@H](NCCOCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1568103615 YNTNHSPFYYNNPS-FDYHWXHSSA-N 315.370 -0.323 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1cncn1 1577024447 DJBRQZYIDPZWLS-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 1616795440 DLOALUZZNKPRIV-APPZFPTMSA-N 302.312 -0.659 5 10 DBBE COC(=O)C1(O)CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 1636380219 FXYGHGXNCNHWFT-UHFFFAOYSA-N 323.305 -0.223 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)COc1ccc([N+](=O)[O-])cc1 1644812840 CYZIGKAFNTZFDS-UHFFFAOYSA-N 317.323 -0.280 5 10 DBBE NC(=O)NCCC(=O)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 1692261349 OAIAOCWURYDVTB-UHFFFAOYSA-N 321.337 -0.046 5 10 DBBE CC(C)N(C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705263186 JIBWFZLDEKQNSS-GHMZBOCLSA-N 312.370 -0.243 5 10 DBBE CN(CCNCc1nc(C2CC2)nn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1731908414 KCKIADWLTXLOGV-GHMZBOCLSA-N 322.369 -0.094 5 10 DBBE CCN(CC)CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1745978450 YNAGSDNFFBRDBN-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE N[C@@H]1CC[S@@](=O)(=NC(=O)CCn2cnc([N+](=O)[O-])c2)C1 2154388836 QGFHDWZGYDPBGF-SQFXPLBJSA-N 301.328 -0.093 5 10 DBBE CON([C@H]1CCNC1)S(=O)(=O)c1cncc([N+](=O)[O-])c1 2176061931 DMOFAVUQUGVQCC-QMMMGPOBSA-N 302.312 -0.096 5 10 DBBE O=C(O)C1(F)CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2178358103 IVRHNJIWJPTJHY-UHFFFAOYSA-N 305.243 -0.213 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H](F)[C@H]2CCOC2)nc1[N+](=O)[O-] 2238307002 OVHKAQRBNKMHJL-NKWVEPMBSA-N 308.291 -0.187 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)CC1 51143960 GGOOHBCUZDZBOV-UHFFFAOYSA-N 314.323 -0.249 5 10 DBBE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1=O 374128798 HAFGSUXQINWBKI-BBBLOLIVSA-N 307.310 -0.083 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)n1 427465779 PQHDFVGHLZIVRC-MRVPVSSYSA-N 321.293 -0.169 5 10 DBBE O=C(NCCCN1CCCS1(=O)=O)c1c[nH]nc1[N+](=O)[O-] 619786887 ACGQDBIWNHPLLW-UHFFFAOYSA-N 317.327 -0.527 5 10 DBBE COCC(=O)N1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1291575097 MEWXWPBXVRUQRU-UHFFFAOYSA-N 323.309 -0.497 5 10 DBBE O=C1CO[C@@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@H]2N1 1436606764 MUAIZFJEXRAWHY-GHMZBOCLSA-N 323.309 -0.703 5 10 DBBE O=C(N[C@H]1C[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1465955942 MJSCXYIYQLXQFE-OTSSQURYSA-N 304.266 -0.176 5 10 DBBE CCN(CCNC(=O)c1cn(C)nc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1528787731 OAFWQTIWETXVRH-ZYHUDNBSSA-N 323.353 -0.028 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCC(O)CC1 1640857053 FAEHKTDUWBIHGV-UHFFFAOYSA-N 309.326 -0.242 5 10 DBBE O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCC1 1681657492 BWHXWAGBENLSEE-CHWSQXEVSA-N 324.381 -0.145 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(CCn2cccn2)CC1 1851043166 NYKMWSOSKBYKRT-UHFFFAOYSA-N 319.325 -0.028 5 10 DBBE Cc1cccc([N+](=O)[O-])c1C(=O)NCCNS(N)(=O)=O 2157536445 GAIFJWQECKAMPO-UHFFFAOYSA-N 302.312 -0.574 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Oc2ccc([N+](=O)[O-])c(N)n2)C1 2285597069 MLHRQDCGMFVDSS-SSDOTTSWSA-N 302.312 -0.015 5 10 DBBE NNc1cccc(NCCS(=O)(=O)CCO)c1[N+](=O)[O-] 2361006935 YCTVIDMMVAVCCK-UHFFFAOYSA-N 304.328 -0.301 5 10 DBBE CCNc1ccc(S(=O)(=O)NCC(N)=O)cc1[N+](=O)[O-] 50638689 CROCEGWENDWBBR-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE CCN(Cc1cn(C)nn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 359640694 VWNOPMSIYCQWME-LBPRGKRZSA-N 309.330 -0.197 5 10 DBBE O=C(O)CN(CCO)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 548561554 SJFYSWVOAUIMPA-UHFFFAOYSA-N 318.307 -0.197 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)nc1 595112057 QMWMUWAZRCFGGZ-YUMQZZPRSA-N 304.303 -0.032 5 10 DBBE COC(=O)[C@H](C)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599303008 MEQHKZZHVCKGNL-LURJTMIESA-N 306.300 -0.490 5 10 DBBE Cc1cn(CC(=O)N[C@@H]2CCS(=O)(=O)C2)nc1[N+](=O)[O-] 1322685419 FFPFKPQODNMBOB-MRVPVSSYSA-N 302.312 -0.597 5 10 DBBE COC(=O)[C@@]1(OC)CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 1329643851 DMMDBJSQNPWBNN-GFCCVEGCSA-N 312.282 -0.268 5 10 DBBE Cn1ncc([N+](=O)[O-])c1-c1nc(CCS(C)(=O)=O)no1 1332499831 GZJZPMJRIJAALH-UHFFFAOYSA-N 301.284 -0.035 5 10 DBBE C[C@@H](C[S@](C)=O)N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1446794713 OUAIVNITGISWLJ-FPVGNUTFSA-N 315.351 -0.018 5 10 DBBE O=C1NCC[C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]12 1560096945 LHVZCCHDSRIADI-CYZMBNFOSA-N 323.353 -0.247 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC(N2CCCC2=O)C1 1635946085 PFEWOSUPBZDQJL-UHFFFAOYSA-N 320.305 -0.410 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)Cn2c([N+](=O)[O-])cnc2C)C1 1640664903 LWRWPVXJCKTVQT-UHFFFAOYSA-N 316.339 -0.255 5 10 DBBE CCCNCc1cc(O)nc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1691418839 MDYQMQHXKPMEDH-NXEZZACHSA-N 309.326 -0.037 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnn(C)n1 1731864872 PGDQVMBXXMINTK-VXGBXAGGSA-N 310.358 -0.192 5 10 DBBE Nc1ccc(C(=O)N2CC(S(N)(=O)=O)C2)c([N+](=O)[O-])c1 1914991926 VFOWMYWSHDQGQT-UHFFFAOYSA-N 300.296 -0.710 5 10 DBBE COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1)C(N)=O 2152372400 XTVLVMZDUBZIJW-BYPYZUCNSA-N 324.340 -0.983 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@@H]1CCS(=O)(=O)C(C)(C)C1 2159178305 IQYYHCRBLCHOPA-SSDOTTSWSA-N 303.344 -0.087 5 10 DBBE NC(=O)[C@H]1C[C@@H](N)CN(c2ncnc(Cl)c2[N+](=O)[O-])C1 2162787035 JYIXPXVMABUBQG-NTSWFWBYSA-N 300.706 -0.323 5 10 DBBE O=[N+]([O-])c1c(N[C@@H]2CS(=O)(=O)C[C@H]2O)nc2sccn12 2177811900 GKKRVHNVTBWUQO-PHDIDXHHSA-N 318.336 -0.126 5 10 DBBE NC(=O)[C@@H]1CN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CCO1 262593565 IIYCNJSACSEVIK-JTQLQIEISA-N 323.261 -0.381 5 10 DBBE Nc1cccc(S(=O)(=O)N[C@H]2COC[C@@H]2O)c1[N+](=O)[O-] 323379656 GIVAFBMGPKQROP-YUMQZZPRSA-N 303.296 -0.785 5 10 DBBE CN(CCNC(=O)Cn1cnc([N+](=O)[O-])n1)CC(F)(F)F 351613213 UREIOPWRFPIWOK-UHFFFAOYSA-N 310.236 -0.203 5 10 DBBE CC(C)(C(=O)N[C@@H]1CCC(=O)NC1=O)n1cc([N+](=O)[O-])cn1 436024126 XOVXLYWYLCXSNQ-MRVPVSSYSA-N 309.282 -0.552 5 10 DBBE COC(=O)C12CC(CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 595675550 ULQKMQDXFFYWKP-QDYJBQRPSA-N 310.310 -0.210 5 10 DBBE CC(C)[C@H]1CNCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599100897 JJEYSZDWRANQPZ-SECBINFHSA-N 317.371 -0.053 5 10 DBBE COCC(COC)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599320065 AJEIQWSAUVPGAF-UHFFFAOYSA-N 308.316 -0.732 5 10 DBBE CS(=O)(=O)c1ccc(O[C@@H](CN)C(=O)O)c([N+](=O)[O-])c1 715438302 SNNVMBUTTYLYJJ-VIFPVBQESA-N 304.280 -0.211 5 10 DBBE O=C(N[C@H]1C[C@H](CNCCn2cncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1283042377 WYGKDOGEWBGZHR-DDHJBXDOSA-N 308.342 -0.572 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cnoc1 1283539646 ZBYOZWNJQWBNLP-GHMZBOCLSA-N 310.310 -0.153 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@@H](CO)[C@H](CCO)C1 1305753817 SWTRYBJQYBLOSL-MNOVXSKESA-N 312.326 -0.369 5 10 DBBE CNC(=O)CNCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 1318990488 LBVCECXJFXOFHL-CHWSQXEVSA-N 320.349 -0.196 5 10 DBBE Cn1cncc1[C@H](CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 1557694550 KSGMIZAPCJMUES-JTQLQIEISA-N 308.298 -0.235 5 10 DBBE COC(=O)[C@]1(O)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 1558104286 MKIDIFIOVAOULL-LBPRGKRZSA-N 312.282 -0.682 5 10 DBBE CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cccc([N+](=O)[O-])c1 1861029809 DWZJYMCWJLNJLI-SNVBAGLBSA-N 308.294 -0.295 5 10 DBBE O=C1NC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)O1 1963623509 SDMYHPZYEJUDRN-QMMMGPOBSA-N 301.280 -0.019 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(c2[nH]c(=N)ccc2[N+](=O)[O-])C1 2170673056 GLABFQRRMWAFHS-ZETCQYMHSA-N 301.328 -0.470 5 10 DBBE O=[N+]([O-])c1cnc(F)[nH]c1=NCC1[C@@H]2CS(=O)(=O)C[C@@H]12 2174708522 UJCPCZNZXPMHDR-BQBZGAKWSA-N 302.287 -0.352 5 10 DBBE Nc1cc(N[C@@H]2CS(=O)(=O)C[C@H]2O)c(F)cc1[N+](=O)[O-] 2183885160 KGLCLMXDSLPRIG-PSASIEDQSA-N 305.287 -0.114 5 10 DBBE Nc1sc(S(=O)(=O)N2CC[C@@H](O)[C@H](O)C2)cc1[N+](=O)[O-] 2188622320 FIDKXPMJBDPHLT-RNFRBKRXSA-N 323.352 -0.645 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1nc(C)ncc1[N+](=O)[O-] 2286616413 MNLUMLUHEWGKOJ-CBAPKCEASA-N 302.312 -0.083 5 10 DBBE CNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnn(C)n2)c1 127722706 FESUKIQSUUOSET-UHFFFAOYSA-N 313.299 -0.039 5 10 DBBE NNc1ccc([N+](=O)[O-])c(N2CCCS(=O)(=O)CC2)n1 236285378 AMQGDLTXSGYUPQ-UHFFFAOYSA-N 301.328 -0.100 5 10 DBBE CCOC(=O)[C@H](CCOC)NC(=O)Cn1ccc([N+](=O)[O-])n1 281605054 WCCGKGYAPYCFRC-VIFPVBQESA-N 314.298 -0.124 5 10 DBBE CC[C@@H](CO)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 340270930 GTASYOSTORFPNG-JTQLQIEISA-N 312.330 -0.899 5 10 DBBE CCn1cc(S(=O)(=O)NCC[S@@](=O)CC)c([N+](=O)[O-])n1 754804658 JDDRANMRBGLALX-IBGZPJMESA-N 324.384 -0.142 5 10 DBBE O=C(CN1C[C@@H](O)[C@@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 1195015563 VYWQOJBLHPLRFA-BXUZGUMPSA-N 321.333 -0.231 5 10 DBBE COCCNC(=O)C1(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 1275165843 MHKJUKSWUKRGPF-UHFFFAOYSA-N 310.310 -0.042 5 10 DBBE O=C(Cc1cnoc1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1356829447 PSRZPKDRIJSXLE-GHMZBOCLSA-N 308.294 -0.543 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@]2(CNC(=O)C2)C1 1538683573 ZIRUSKHYUOFLIK-CYBMUJFWSA-N 307.310 -0.162 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCN(C)CC2)n1 1540588583 UMSJIOPZXPZLKD-UHFFFAOYSA-N 310.358 -0.212 5 10 DBBE Cn1c(=O)on(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O 1615199992 NRXVJMQDVMWXPO-UHFFFAOYSA-N 301.236 -0.715 5 10 DBBE CS(=O)(=O)C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CCO1 1652282060 HZNPOQNWIUAHDW-VIFPVBQESA-N 302.312 -0.365 5 10 DBBE Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 1722069010 NJUYQGBZGSLFIL-MWLCHTKSSA-N 319.321 -0.171 5 10 DBBE Nc1ncnc(N2CCC[C@@H]2CS(N)(=O)=O)c1[N+](=O)[O-] 2146415755 HBVJDTFZVNSFCP-ZCFIWIBFSA-N 302.316 -0.776 5 10 DBBE CN1CCN(Cc2cc(NN)ccc2[N+](=O)[O-])S1(=O)=O 2150366250 YQEMSRKYMBPKQS-UHFFFAOYSA-N 301.328 -0.127 5 10 DBBE NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2181126287 FWWXAKPCVLSOKT-DTWKUNHWSA-N 301.324 -0.323 5 10 DBBE Cc1nc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(Cl)cc1[N+](=O)[O-] 2200861642 UHOANJHVOQBGAO-KXUCPTDWSA-N 303.702 -0.146 5 10 DBBE O=[N+]([O-])c1ccc(O[C@@H]2CS(=O)(=O)C[C@H]2O)c(CO)c1 37693306 DBWYVWCIVKSULT-MWLCHTKSSA-N 303.292 -0.376 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-])c1nn[nH]n1 50672567 FSPIFBHOVIOSFU-YFKPBYRVSA-N 313.299 -0.270 5 10 DBBE COc1ccc(S(=O)(=O)N2CCOC[C@H]2N)cc1[N+](=O)[O-] 88378495 SFXZPTHAFBFAPK-NSHDSACASA-N 317.323 -0.091 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](CO)C2)c1 126374966 HUPFXETWFYFUGK-SECBINFHSA-N 317.323 -0.441 5 10 DBBE CN(C[C@@H](O)CN)S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 312775607 GYZQILLUYHIDQN-ZETCQYMHSA-N 307.303 -0.326 5 10 DBBE C[C@H](CN1CCOCC1)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 447656789 ODLDZVRGMQKKCU-SNVBAGLBSA-N 312.330 -0.635 5 10 DBBE C[C@H]1CC(=O)NCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594757668 HRYFXBACVMOAMH-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE O=[N+]([O-])c1cnc2ccc(NC[C@]3(OCCO)CCOC3)nn12 596431593 PKJFIWHCJOEMCX-CYBMUJFWSA-N 323.309 0.217 5 10 DBBE C[C@H]1[C@@H](C)NCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599109686 VUISXXHSBKEJAE-SFYZADRCSA-N 303.344 -0.301 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN(C2CC2)C(=O)C1 610864390 VQWMWXOBBBDKPG-UHFFFAOYSA-N 322.325 -0.193 5 10 DBBE NS(=O)(=O)N1CCC(NCc2ccc([N+](=O)[O-])o2)CC1 698677527 RSAAROHBQYHKQJ-UHFFFAOYSA-N 304.328 -0.055 5 10 DBBE O=C(O)[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 725374083 GBWHYFHSOADYQP-UWVGGRQHSA-N 315.307 -0.454 5 10 DBBE C[C@H](CS(=O)(=O)N(C)C)OC(=O)Cn1ccc([N+](=O)[O-])n1 861154359 DLWOYWJQOFCSTA-MRVPVSSYSA-N 320.327 -0.386 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ncc2c(n1)CCOC2 1118229696 GSCHLIIKQZYDSR-UHFFFAOYSA-N 318.293 -0.030 5 10 DBBE COCC(=O)NC[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1 1263823347 LFOWNIBYYHKAJN-AOOOYVTPSA-N 311.342 -0.041 5 10 DBBE Cn1ccc(CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1535254877 DHJABIBRWSKMRU-GHMZBOCLSA-N 321.337 -0.607 5 10 DBBE O=C(NCCN1CCNC1=O)c1[nH]nc([N+](=O)[O-])c1Cl 1652068765 VCFKBYHEMTVEIA-UHFFFAOYSA-N 302.678 -0.274 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CO)[C@H](C)O 2174124537 WSWPEBWMLFPKHK-DTWKUNHWSA-N 304.324 -0.077 5 10 DBBE NOCCS(=O)(=O)N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 2234127657 YGLFFLKLHSFGGT-SNVBAGLBSA-N 301.324 -0.128 5 10 DBBE COC(=O)[C@H](N)CS(=O)(=O)Nc1ccccc1[N+](=O)[O-] 2286057193 GIPOSYOGRNZHND-SSDOTTSWSA-N 303.296 -0.163 5 10 DBBE CS(=O)(=O)CC[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] 50015923 AHPFVZMBNSXMRF-SNVBAGLBSA-N 315.351 -0.027 5 10 DBBE CNC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C 94780525 XNNBWIBJAOKOFO-UHFFFAOYSA-N 302.312 -0.490 5 10 DBBE CNc1cnc([N+](=O)[O-])cc1C(=O)NCCS(N)(=O)=O 312202210 HJULNKIEVHVBJI-UHFFFAOYSA-N 303.300 -0.950 5 10 DBBE O=C(C[S@](=O)C[C@H](O)CO)Nc1ccc([N+](=O)[O-])cc1 526883578 DENOBZRCVNAISW-CFMSYZGJSA-N 302.308 -0.365 5 10 DBBE CNc1nccc(C(=O)N2CCN(C[C@@H](C)O)CC2)c1[N+](=O)[O-] 594292466 PROLOPMAHZDHLI-SNVBAGLBSA-N 323.353 0.170 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1O 599342565 RAHCNDVTCABXII-HTQZYQBOSA-N 318.355 -0.034 5 10 DBBE COC(=O)[C@]1(OC)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 600292317 WUASHQRAAXZBMB-LBPRGKRZSA-N 312.282 -0.418 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CN2CCCN1CC2 619874091 YQMPVMUWWDGFFL-GFCCVEGCSA-N 322.369 -0.394 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CNC[C@@H]1O 699961774 GZXMJPRNAKEBKJ-WPRPVWTQSA-N 301.324 -0.486 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 1531330416 QTDVASQNFCWUFX-NKWVEPMBSA-N 323.231 -0.185 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NCCCn1cccnc1=O 1623491784 AFLDGSHHFWKRCP-UHFFFAOYSA-N 320.309 -0.055 5 10 DBBE NS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1627695272 RZPQIRGMCPDXRZ-GHMZBOCLSA-N 313.335 -0.244 5 10 DBBE COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1634456475 ORRBVLUTAUJUFL-IRCOFANPSA-N 302.327 -0.476 5 10 DBBE COC(=O)[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1642889050 GPKZEHWHRVGBKZ-DTORHVGOSA-N 309.278 -0.176 5 10 DBBE O=C(Cn1cccn1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689227801 YLHOEQVONSZWQA-COUIAZAYSA-N 307.310 -0.663 5 10 DBBE CC(=O)NC(C)(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737753797 QWXQRFSEQJWSEF-NXEZZACHSA-N 314.342 -0.859 5 10 DBBE N[C@@H]1COC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2149987843 LKEUHFLFWHKCAJ-SFYZADRCSA-N 305.287 -0.262 5 10 DBBE CN(C[C@@H]1CCCS1(=O)=O)c1ncc([N+](=O)[O-])c(=N)[nH]1 2157641973 ZRKHEHQHBCPZRM-ZETCQYMHSA-N 301.328 -0.189 5 10 DBBE Cc1cc(S(=O)(=O)NC[C@@H](N)CO)cc([N+](=O)[O-])c1F 2162378562 YHCMHQDVBXXYQQ-SSDOTTSWSA-N 307.303 -0.360 5 10 DBBE NCC(CO)(CO)NC(=O)c1cccc([N+](=O)[O-])c1Cl 2280475093 WGFKKEWEPNHUAX-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE O=[N+]([O-])c1ccc(F)c(CNCC2(O)CS(=O)(=O)C2)c1 2283082798 CZTYKIPFIYUMJA-UHFFFAOYSA-N 304.299 -0.017 5 10 DBBE Cc1n[nH]c([C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 173541707 HBAFWIARNFIEDR-JTQLQIEISA-N 321.297 -0.182 5 10 DBBE CCn1c(O)nnc1[S@@](=O)CCn1cc([N+](=O)[O-])cn1 178744017 BHLTWFUUQSQARP-FQEVSTJZSA-N 300.300 -0.084 5 10 DBBE CCNS(=O)(=O)CCNc1nc(NN)ncc1[N+](=O)[O-] 231021171 DJAKVXLQPYKQJV-UHFFFAOYSA-N 305.320 -0.978 5 10 DBBE Nc1nc(=NCCN2C[C@H]3CCCCN3C2=O)[nH]cc1[N+](=O)[O-] 596534593 NYCORGXJTLYXLY-SECBINFHSA-N 321.341 0.091 5 10 DBBE C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](O)CO 698920496 REBPHKGUNYTGLH-KWQFWETISA-N 304.324 -0.244 5 10 DBBE CO[C@@H]1CN(C)[C@@](C)(COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 861342898 DXOXGYQZHWXEOG-JOYOIKCWSA-N 313.314 -0.161 5 10 DBBE Nc1ncn(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)n1 1136668801 CGLKKLPYPBDZFG-UHFFFAOYSA-N 306.282 -0.036 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCS(=O)(=O)C2)n1 1136799310 MKVHDIWTULAMOI-SSDOTTSWSA-N 302.312 -0.365 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1 1329660067 VCGFQIFMZKPPOH-SSDOTTSWSA-N 320.313 -0.153 5 10 DBBE COCCOCCN(CCO)C(=O)c1c[nH]nc1[N+](=O)[O-] 1335328242 ASKZDQVXAUDEIJ-UHFFFAOYSA-N 302.287 -0.585 5 10 DBBE O=C1NC(=O)C2(CN(c3nc4ccccn4c3[N+](=O)[O-])C2)N1 1472901276 GCZJFXAWUXJRFO-UHFFFAOYSA-N 302.250 -0.359 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](CCO)[C@@H](CO)C2)n1 1637648649 VPEZXKAZFGCOGQ-NXEZZACHSA-N 312.326 -0.126 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cnc[nH]1 1689080540 LTGGDXRTGSADFF-GHMZBOCLSA-N 309.326 -0.466 5 10 DBBE O=C(Cc1ncc[nH]1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1689583181 ZRTAKCSRHMMDKK-RKDXNWHRSA-N 307.310 -0.618 5 10 DBBE CCC(=O)NCC(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1732095789 VZYMONCLKGKXRF-UHFFFAOYSA-N 324.341 -0.845 5 10 DBBE O=C(CN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCc1ccco1 1732098180 OYTXPGUWFYAWSA-VXGBXAGGSA-N 322.321 -0.639 5 10 DBBE NCCN(CCO)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2152160253 CJHYHZMBKXOZPJ-UHFFFAOYSA-N 303.340 -0.322 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCN)CCN 2152186007 DKLZNYUAGOJHFU-UHFFFAOYSA-N 302.356 -0.189 5 10 DBBE CN(c1nc(=N)[nH]cc1[N+](=O)[O-])[C@@H]1CS(=O)(=O)C1(C)C 2153841209 CQPQOBWGUDKTBA-SSDOTTSWSA-N 301.328 -0.191 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@H](O)C1 2161391769 UAZMENQEPQDQDK-IUCAKERBSA-N 302.308 -0.289 5 10 DBBE CC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50655937 AFZJOHDJIVKDNR-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N(CCO)CCO 50669711 BHALSMCEUIUIAP-UHFFFAOYSA-N 323.302 -0.709 5 10 DBBE NNc1ccc(S(=O)(=O)N[C@@H]2CCOC2)c([N+](=O)[O-])c1 131585990 KRMWNDXGYUUEEB-MRVPVSSYSA-N 302.312 -0.052 5 10 DBBE COCCCOCCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 232240553 WTJIFHFHNLKMGH-UHFFFAOYSA-N 308.316 -0.508 5 10 DBBE C[C@@H]1OCC[C@H]1N(CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 361585612 QFTBJJXGKDYKMH-WCFLWFBJSA-N 314.342 -0.376 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@]1(C(=O)O)CCCOC1 600878700 RFFDQIBYAULBIA-GFCCVEGCSA-N 312.282 -0.211 5 10 DBBE C[C@@H](O)[C@@H](O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 717402445 RFMYBOSNQGUKGB-KCJUWKMLSA-N 304.324 -0.244 5 10 DBBE CCON(C)C(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859208290 LJXHKAAMHMTJCV-UHFFFAOYSA-N 321.315 -0.984 5 10 DBBE Cn1ccnc1C1(O)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 1558089058 HHENDPJHJXNDJD-UHFFFAOYSA-N 306.282 -0.745 5 10 DBBE N[C@@H]1COC[C@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1919732603 UJMUHMLBEDMHBR-NFNCENRGSA-N 322.075 -0.914 5 10 DBBE CN1C[C@H](O)[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 2146512303 AWWZFDGOSXAIOK-WPRPVWTQSA-N 301.324 -0.452 5 10 DBBE Cc1[nH]ccc(=N[C@@H](CS(C)(=O)=O)C(=O)O)c1[N+](=O)[O-] 2360625628 VAQICFKAYZETAQ-QMMMGPOBSA-N 303.296 -0.370 5 10 DBBE O=C(C[C@]1(C(=O)O)CCOC1)NCCn1cc([N+](=O)[O-])cn1 594661944 SKZRZBJDMYVCLS-GFCCVEGCSA-N 312.282 -0.211 5 10 DBBE O=C1NCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 594793543 ZLMCXYLFDGXOAC-ZETCQYMHSA-N 303.271 -0.099 5 10 DBBE CN(C)S(=O)(=O)N1CC(Nc2ncccc2[N+](=O)[O-])C1 599183151 XJQNHWDNYVVEGL-UHFFFAOYSA-N 301.328 -0.108 5 10 DBBE COC(=O)C(C)(C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599210402 JETRZZGTFVFDIN-UHFFFAOYSA-N 306.300 -0.442 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CNC[C@H]1O 705694805 JSEGGNXDZSAXEG-WCBMZHEXSA-N 301.324 -0.547 5 10 DBBE COCC[C@H](NC(=O)Cn1c([N+](=O)[O-])cnc1C)C(=O)OC 1160701971 DSXHULNZPLHRJR-VIFPVBQESA-N 314.298 -0.206 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCOC[C@H]1CCO 1180161259 VNVTUXYEJCADID-SNVBAGLBSA-N 311.294 -0.634 5 10 DBBE CN(CCCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1351871319 AFDYKAHPCJWLTI-PSASIEDQSA-N 323.309 -0.987 5 10 DBBE COC(=O)[C@H](CF)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1468570797 NTLCGCVMNCIXDV-ZETCQYMHSA-N 301.230 -0.616 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1N1CC2(C[C@@H](O)CNC2=O)C1 1559280857 XXUSTBYUXBFCQO-SECBINFHSA-N 309.326 -0.193 5 10 DBBE Cn1cc(CN2CCN3CCOC[C@@]3(CO)C2)c([N+](=O)[O-])n1 1654914844 CPYNOVZVZAAJKN-ZDUSSCGKSA-N 311.342 -0.793 5 10 DBBE CN(CCCNC(=O)c1cnnc(O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703598748 APMLINRJCRTXEF-NXEZZACHSA-N 323.309 -0.574 5 10 DBBE CN(CCOCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(F)F 1740043220 UYEBGSKOZXGGDG-RKDXNWHRSA-N 323.296 -0.150 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](F)[C@H](O)C1 2149266769 RIGVKCUDBBDLHM-IONNQARKSA-N 305.287 -0.120 5 10 DBBE CN(c1nc(C(=O)O)ccc1[N+](=O)[O-])C1CS(=O)(=O)C1 2152247004 UFNKQUXUNLQQHC-UHFFFAOYSA-N 301.280 -0.079 5 10 DBBE CN=c1nc(N2CC[C@@H](S(C)(=O)=O)C2)c([N+](=O)[O-])c[nH]1 2179890246 IRRXZDXIPXEVIP-SSDOTTSWSA-N 301.328 -0.528 5 10 DBBE O=[N+]([O-])c1ccc(O[C@H]2CS(=O)(=O)C[C@@H]2O)c(CO)c1 37693305 DBWYVWCIVKSULT-ONGXEEELSA-N 303.292 -0.376 5 10 DBBE CNCc1cc([N+](=O)[O-])ccc1O[C@@H]1CS(=O)(=O)C[C@@H]1O 37710080 ZLHCKHGSGBYUQX-CMPLNLGQSA-N 316.335 -0.149 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CNC(=O)C1 229363182 MBKZSQOZQYYQRR-LURJTMIESA-N 300.296 -0.656 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@](O)(CO)C2)c1 313824784 WBCMAFMCXVPFAM-NSHDSACASA-N 302.308 -0.287 5 10 DBBE C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 342282679 JRKYJCJHOCWYTK-GHMZBOCLSA-N 324.341 -0.492 5 10 DBBE O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC(O)(CO)C1 597705771 NNLCMMANDUKMOS-UHFFFAOYSA-N 318.289 -0.040 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC1CS(=O)(=O)C1 1269302567 BFUKJUNNKIPJSP-UHFFFAOYSA-N 316.339 -0.349 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCCN2CCO 1472259696 SUKOUAKDGAUYGL-MNOVXSKESA-N 309.326 -0.011 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCS(=O)(=O)CC1 1541097920 NELHOUIFFZANQX-UHFFFAOYSA-N 316.339 -0.125 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(N2CCNC2=O)CC1 1626296533 JMXMVNUNIGVWCW-UHFFFAOYSA-N 322.325 -0.042 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(O)nn1 1759001710 YWDYKECREAVWJG-PSASIEDQSA-N 323.309 -0.574 5 10 DBBE Cc1nnccc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759699885 ZLJCOCOEEUAJLQ-JDEDCZITSA-N 319.321 -0.148 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCS1(=O)=O 2150727707 FLRHHSSVBQOHRE-ZETCQYMHSA-N 300.296 -0.511 5 10 DBBE NNc1sc(S(=O)(=O)Nc2nc(O)n[nH]2)cc1[N+](=O)[O-] 2199528941 JAUWQGAUIOCORG-UHFFFAOYSA-N 321.300 -0.434 5 10 DBBE CSC1(C(=O)O)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 2362134304 NSUBJFQXFVRWHR-UHFFFAOYSA-N 300.296 -0.180 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCOC1 161821807 FXOBDNXXBSEHOW-SSDOTTSWSA-N 302.312 -0.052 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1F 236601242 IJNZKAPNIAQRBR-UWVGGRQHSA-N 306.271 -0.540 5 10 DBBE NNc1ncc([N+](=O)[O-])c(N2C[C@H]3C[C@H]2CS3(=O)=O)n1 321812140 WMZXUKCKTHRARO-NTSWFWBYSA-N 300.300 -0.954 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 342377757 PZYIHQXNFMFACA-ZETCQYMHSA-N 302.312 -0.313 5 10 DBBE COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 351950533 VYCUOFKNQJEIMQ-RXMQYKEDSA-N 310.309 -0.532 5 10 DBBE O=C(N=c1cc[nH]cc1[N+](=O)[O-])N1CCN2CCOC[C@H]2C1 376884312 XLOKZDAJXISZOY-SNVBAGLBSA-N 307.310 -0.040 5 10 DBBE Cc1[nH]nc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] 593784294 LSQOKDMNYZBPJU-UHFFFAOYSA-N 324.341 -0.528 5 10 DBBE O=C(NCC12COCCN1CCOC2)c1c[nH]nc1[N+](=O)[O-] 1168938413 FIBKHNDEZVXONB-UHFFFAOYSA-N 311.298 -0.851 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@@H]3COCC[C@@H]32)c1 1308107853 ZMBUJDGLFAABQI-FRRDWIJNSA-N 312.326 -0.358 5 10 DBBE CC(=O)N[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1329793707 WEPGCBSAHKGZHZ-MRVPVSSYSA-N 317.327 -0.773 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]2[C@H]1CCCN2CCO 1603335980 JPTGKOVIHYRAND-GHMZBOCLSA-N 324.341 -0.756 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN[C@@H]1C(=O)NCC12CCOCC2 1620616786 KTHZPOISYORRNE-GFCCVEGCSA-N 323.353 -0.015 5 10 DBBE CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCN2CCO[C@H]1C2 1636268653 KRPFDTAIYFLZBO-ONGXEEELSA-N 309.326 -0.127 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=NC[C@]1(CO)COCCN1 1652189167 QKPLAFAQBINDKE-NSHDSACASA-N 302.718 -0.172 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnccn1 1745308687 WWCXHXIMIPJVBC-MWLCHTKSSA-N 307.310 -0.280 5 10 DBBE O=C(O)CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(O)O 1866115205 CPBPKRBANBFRJQ-JTQLQIEISA-N 312.278 -0.202 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NCCC1(CS(C)(=O)=O)CC1 2159178441 KRDZUJMDDIDNIT-UHFFFAOYSA-N 303.344 -0.228 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CO)[C@H](C)O 2174123087 IFHCWXPOVFXILL-IUCAKERBSA-N 304.324 -0.077 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1O[C@@H]1CS(=O)(=O)C[C@@H]1N 2177958919 LXEMUKBOZNBKDV-JGVFFNPUSA-N 304.328 -0.377 5 10 DBBE NNc1ccc(S(=O)(=O)NC[C@@H]2CCO2)c([N+](=O)[O-])c1 2189564350 RCKSRYOXCUTDID-QMMMGPOBSA-N 302.312 -0.052 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1cc([N+](=O)[O-])cc(F)n1 2192657060 MRSMJGKCLAXNOM-HTQZYQBOSA-N 304.303 -0.074 5 10 DBBE COCC[S@](=O)CCN=c1nc(OC)c([N+](=O)[O-])c[nH]1 2207019739 UZOLXBNICKCZDJ-HXUWFJFHSA-N 304.328 -0.378 5 10 DBBE O=[N+]([O-])c1cnc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(Cl)c1 2289412588 PFCOUYLCJDMYFT-WHFVKQHSSA-N 303.702 -0.207 5 10 DBBE O=C1NCCC[C@H]1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 50398181 YMZSRPUNTZBVAR-MRVPVSSYSA-N 315.307 -0.143 5 10 DBBE COC[C@H](O)CNC[C@@H](O)Cn1nc(C)c([N+](=O)[O-])c1C 71272903 JIIDNJYCIQCZNI-GHMZBOCLSA-N 302.331 -0.634 5 10 DBBE Cn1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)n1 127723453 LJQHKEBENFVOKB-UHFFFAOYSA-N 305.301 -0.437 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 136254709 LJJBRQMYZPVGKV-SCSAIBSYSA-N 308.341 -0.219 5 10 DBBE COC[C@](C)(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594759505 OLSYUAXRFLHYRY-SNVBAGLBSA-N 305.312 -0.335 5 10 DBBE COC(=O)[C@@]1(OC)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 600292314 WUASHQRAAXZBMB-GFCCVEGCSA-N 312.282 -0.418 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(c2ncnc(F)c2[N+](=O)[O-])C1 703171221 MZVNDZCTWWADDK-LURJTMIESA-N 305.291 -0.348 5 10 DBBE O=C(NCCn1cnccc1=O)c1[nH]nc([N+](=O)[O-])c1Cl 1142921986 SEQDLOZZNYTVTN-UHFFFAOYSA-N 312.673 -0.042 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1ccccc1[N+](=O)[O-] 1179618697 KTXYDKJOLXDWKR-MRVPVSSYSA-N 302.308 -0.270 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nc(O)n[nH]1 1265113494 PLPLISCIYJJDIF-RKDXNWHRSA-N 312.330 -0.496 5 10 DBBE O=C(Cc1ccon1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1282069536 XCTAKIVBAJWEQL-SASUGWTJSA-N 322.321 -0.107 5 10 DBBE NC(=O)C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 1329591194 XPYLKMMXXUEFKL-JTQLQIEISA-N 311.298 -0.716 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC(F)(F)F)C[C@H](O)CO 1623300980 ZNESFQZGUQLZFX-XLPZGREQSA-N 300.233 -0.214 5 10 DBBE CO[C@]1(CNc2c([N+](=O)[O-])cnn2C)CCS(=O)(=O)C1 1652249918 LVWZYOGPFAQYTP-JTQLQIEISA-N 304.328 -0.056 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](O)c1ccnn1C 1652541862 CDYTZCDTKLYONK-JTQLQIEISA-N 308.298 -0.317 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1ccnc1 1687462373 NZMCPEAKLZQGTK-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE CCN(CCNC(=O)c1cc(C)nn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1745287283 QURJRXDAEFEPJO-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1COC[C@@H]1N 2149984998 AXSMXYPTLMOOPS-UWVGGRQHSA-N 301.324 -0.092 5 10 DBBE CCCNC(=O)[C@H](C)n1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156822320 AELBYCMNQUACAP-LURJTMIESA-N 305.316 -0.474 5 10 DBBE Cc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)N1CC([N+](=O)[O-])C1 2191537173 XPKUFQICWBCVHS-UHFFFAOYSA-N 303.296 -0.021 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Oc2nc(F)ncc2[N+](=O)[O-])C1 2285604618 FNFGSBDVQTUSDB-ZCFIWIBFSA-N 306.275 -0.063 5 10 DBBE Cc1nc(NC(=O)[C@H](N)CS(C)(=O)=O)ccc1[N+](=O)[O-] 2360524903 IVLRYRACXJCAMX-SSDOTTSWSA-N 302.312 -0.391 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 136167750 SHSGWELKCPGUSK-ZCFIWIBFSA-N 317.327 -0.577 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COC[C@@H]2O)c(F)c1 323460640 HGPGTSXTDNLWLN-IUCAKERBSA-N 306.271 -0.228 5 10 DBBE Cn1nnc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)n1 362978580 BQDSHBXITBKHDI-UHFFFAOYSA-N 312.311 -0.262 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCNc2cnccn2)n1 427821760 PTPBNXXDBCQCCX-UHFFFAOYSA-N 305.298 0.443 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CNC[C@H]1O 699961770 GZHCFGZKQONMJP-VHSXEESVSA-N 301.324 -0.486 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@@]2(CCCOC2)C1 1117157543 QGDATJRVCLOSRN-LBPRGKRZSA-N 311.298 -0.406 5 10 DBBE CN1CC[C@](O)(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 1138061771 UGUIENIEELHHAM-JTQLQIEISA-N 303.706 -0.232 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN(CC(F)(F)CO)CC1 1163850442 XEGFTRHAERVXGI-UHFFFAOYSA-N 319.268 -0.297 5 10 DBBE CN(CCNCc1ccc(C(N)=O)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1267371727 RXQXMAMUVJCGHT-CHWSQXEVSA-N 320.349 -0.001 5 10 DBBE Cc1nonc1C(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C 1317667486 AMASVLRLNPOYCM-UHFFFAOYSA-N 323.313 -0.118 5 10 DBBE O=C(CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CC1 1483733073 RSTGOKNNWAUWAG-GHMZBOCLSA-N 310.354 -0.584 5 10 DBBE CCc1[nH]nc(C(=O)N2CC[C@@](O)(C(=O)OC)C2)c1[N+](=O)[O-] 1558105164 QMOMLKWRPZGVHV-LBPRGKRZSA-N 312.282 -0.370 5 10 DBBE Nc1nc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)ncc1[N+](=O)[O-] 1612864600 RJYVVHNBHXRMAY-SFYZADRCSA-N 313.339 -0.162 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnnn1C1CC1 1732581281 AINOOSOIBOIZCI-GHMZBOCLSA-N 323.357 -0.437 5 10 DBBE CN1CCN(CCCNC(=O)c2cnc([N+](=O)[O-])n2C)CC1 1850543091 KDOOWOOYHDVTFG-UHFFFAOYSA-N 310.358 -0.304 5 10 DBBE NS(=O)(=O)N1CCC(N=c2cccc([N+](=O)[O-])[nH]2)CC1 1925585908 SMTQNDNANPKPPD-UHFFFAOYSA-N 301.328 -0.509 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CCOC[C@H]1[C@@H](O)CO 2146323387 LAPMMLCJNQZEEV-BQBZGAKWSA-N 304.690 -0.403 5 10 DBBE CC(C)CNC(=O)Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156813939 GLRSLLRXZNKMEG-UHFFFAOYSA-N 305.316 -0.789 5 10 DBBE C[S@@](=O)(=Nc1[nH]c(=N)ccc1[N+](=O)[O-])N1CCNCC1 2173926600 XRLWZLRMJKZTQL-HXUWFJFHSA-N 300.344 -0.048 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@]2(CO)CCNC2)cc1 2190274058 QHLKJOQEGXKPLQ-LLVKDONJSA-N 301.324 -0.403 5 10 DBBE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])s1 2200851564 MAVPBACYLCDTID-YRKVQTBBSA-N 302.264 -0.713 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NCCOC2CNC2)c1 2362241206 UURDZICFOWYWLT-UHFFFAOYSA-N 302.312 -0.744 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](CO)C1 126375426 WKVLWATVFMXQSW-SECBINFHSA-N 317.323 -0.441 5 10 DBBE O=C(NS(=O)(=O)N1CCNCC1)c1ccc([N+](=O)[O-])s1 714260175 UYUYIIWLCBUGNO-UHFFFAOYSA-N 320.352 -0.464 5 10 DBBE N[C@H]1CCOC[C@@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 721927466 VIKQFFDHZUIBJN-UWVGGRQHSA-N 302.312 -0.616 5 10 DBBE CCCN(C)S(=O)(=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 780433633 YUNAVNPDTJJFEI-UHFFFAOYSA-N 305.316 -0.355 5 10 DBBE CCS(=O)(=O)CCN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] 1116459353 DZXJLGJUKJNMPL-UHFFFAOYSA-N 304.328 -0.165 5 10 DBBE CN1CCN(C)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 1187724023 AGMWTPCKVJGIOR-UHFFFAOYSA-N 322.369 -0.228 5 10 DBBE CN(C)C1(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCC1 1285924230 WAPBFRJQFGPDMA-GHMZBOCLSA-N 324.381 -0.099 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)CS(C)(=O)=O 1456326105 SWLBRVDVOHZSHK-SSDOTTSWSA-N 304.328 -0.351 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)CN1CCOCC1 1541035661 DBFCGUDZVFLTTN-SNVBAGLBSA-N 311.342 -0.063 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1544626059 XKEIXWZDBUUCJW-PHIMTYICSA-N 318.289 -0.015 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CC(=O)N(C2CC2)C1 1546123349 PAQWMNOQSYMTNK-MRVPVSSYSA-N 308.298 -0.687 5 10 DBBE CNC(=O)[C@H](CCSC)NC(=O)Cn1cnc([N+](=O)[O-])n1 1584129503 FUTCGJKQDHOCPU-ZETCQYMHSA-N 316.343 -0.830 5 10 DBBE CNc1nccc(C(=O)N2CC[C@](O)(C(=O)OC)C2)c1[N+](=O)[O-] 1650954384 DUQJOWIDVRHWNV-CYBMUJFWSA-N 324.293 -0.219 5 10 DBBE COCC1(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1721393554 OCZUGKLGINEFOH-GHMZBOCLSA-N 311.338 -0.347 5 10 DBBE COc1cccc(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c1[N+](=O)[O-] 1889917834 WPQNGYQJJYIKJF-IUCAKERBSA-N 319.273 -0.052 5 10 DBBE NC(=O)C1(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CC1 2103575180 DLRMRHYSBKDFBO-UHFFFAOYSA-N 306.325 -0.465 5 10 DBBE Cc1nc([N+](=O)[O-])cn1[C@](C)(C(=O)O)C1CS(=O)(=O)C1 2146791850 NYGKATLMEZZCIE-JTQLQIEISA-N 303.296 -0.056 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCN)CCN 2152186700 LMPZYLRKDAZPQH-UHFFFAOYSA-N 302.356 -0.189 5 10 DBBE Cn1cc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)c(Cl)n1 2168232270 UHAKHLFOEQPOFB-UHFFFAOYSA-N 320.718 -0.126 5 10 DBBE O=C(O)[C@]1(N=c2cc[nH]cc2[N+](=O)[O-])CCS(=O)(=O)C1 2172193281 OUVRVKRZVPKPIR-JTQLQIEISA-N 301.280 -0.535 5 10 DBBE Cc1nc(CS(=O)(=O)C[C@@H](N)C(=O)O)ccc1[N+](=O)[O-] 2195328546 RWFIXZVRQIPHFG-MRVPVSSYSA-N 303.296 -0.375 5 10 DBBE Cc1cc(=N[C@H](CS(C)(=O)=O)C(=O)O)c([N+](=O)[O-])c[nH]1 2360620660 MDTXEOCWZFHJGT-MRVPVSSYSA-N 303.296 -0.370 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 158490898 HUWQOKIGZSWVOT-IBGZPJMESA-N 322.368 -0.463 5 10 DBBE O=C(CN1CC(=O)NC1=O)NCCc1ccc([N+](=O)[O-])cc1 264834839 JWINJLIDGNYGQF-UHFFFAOYSA-N 306.278 -0.195 5 10 DBBE C[C@H]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CS1(=O)=O 598192059 KVTYTLHSWLGOKD-IUCAKERBSA-N 316.339 -0.127 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC1(O)CNC1 725373500 WIRZEOFEHHRHRB-UHFFFAOYSA-N 301.324 -0.403 5 10 DBBE CN(C)C(=O)CCN1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 760416496 ZIMMOMJWEXKFKY-UHFFFAOYSA-N 310.358 -0.155 5 10 DBBE CN(CCNC(=O)c1cc([N+](=O)[O-])cn1C)CCOCCO 1153233928 VHNYBAJJCKOBTB-UHFFFAOYSA-N 314.342 -0.396 5 10 DBBE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)c1c([N+](=O)[O-])cnn1C 1162247838 BRKVPAFKJOQOPI-ZJUUUORDSA-N 311.342 -0.145 5 10 DBBE COC1(OC)CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O 1308037023 XQSMQSYSCGHTKM-NSHDSACASA-N 300.315 -0.153 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(O)(CO)CC2)nc1 1327088899 FWPJIJWWQZCLOL-UHFFFAOYSA-N 317.323 -0.502 5 10 DBBE O=C(NCC1(NCCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1499220818 FSZYALFBXHWCRK-GHMZBOCLSA-N 310.354 -0.488 5 10 DBBE O=C(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)NCCO 1566307857 DMGCLIRSFUIZIR-NWDGAFQWSA-N 307.306 -0.077 5 10 DBBE CCn1nncc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1584954420 VLENAHQVYDQZNM-RKDXNWHRSA-N 322.325 -0.658 5 10 DBBE Cn1nccc1C1(O)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 1588254867 IZVGBDDCSKMXGA-UHFFFAOYSA-N 306.282 -0.745 5 10 DBBE O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](O)Cn1ccnn1 1638697164 KXCUBZQINRQYCZ-GFCCVEGCSA-N 305.294 -0.094 5 10 DBBE CNC(=O)c1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 1642709665 HOODLVJNSQAWKO-DTORHVGOSA-N 318.289 -0.337 5 10 DBBE CS(=O)(=O)c1cccc(N(CCN)CCN)c1[N+](=O)[O-] 2152187772 WLYGESXSQXHFLG-UHFFFAOYSA-N 302.356 -0.278 5 10 DBBE NS(=O)(=O)c1ccc(N[C@H]2CCONC2)c([N+](=O)[O-])c1 2155315933 UNRFVNBWJUNRJJ-ZETCQYMHSA-N 302.312 -0.052 5 10 DBBE CS(=O)(=O)[C@H]1C[C@H](CN=c2[nH]cnc(N)c2[N+](=O)[O-])C1 2192329893 FCVGSFGKEUAJEO-LJGSYFOKSA-N 301.328 -0.376 5 10 DBBE Cc1nc([N+](=O)[O-])c(N[C@H]2CNC[C@H]2S(C)(=O)=O)n1C 2192681293 UGJHCZSUOUMIIB-JGVFFNPUSA-N 303.344 -0.566 5 10 DBBE CCS(=O)(=O)N(C)CCN=c1[nH]n(C)c(C)c1[N+](=O)[O-] 2207477996 ZFXBPRJKEBOIID-UHFFFAOYSA-N 305.360 -0.248 5 10 DBBE N[C@@H](CO)CNS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235867079 SGNAILVULGEGDB-RXMQYKEDSA-N 311.266 -0.529 5 10 DBBE Cc1nc([N+](=O)[O-])c(N[C@@H](CS(C)(=O)=O)C(=O)O)n1C 2360571319 GBGIFSGHUMTEHB-LURJTMIESA-N 306.300 -0.454 5 10 DBBE COC(=O)[C@@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 50070013 ZQBBGJTVPCEMTH-SECBINFHSA-N 318.307 -0.056 5 10 DBBE Nc1cccc(S(=O)(=O)NC[C@H]2COCCO2)c1[N+](=O)[O-] 126940675 DXLROJGOXXSPNT-QMMMGPOBSA-N 317.323 -0.129 5 10 DBBE CC[C@H](CO)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 179415360 MTQHLMGPMIGEEZ-LLVKDONJSA-N 311.342 -0.294 5 10 DBBE NC(=O)c1ccc(Cn2nnn(C3CC3)c2=O)c([N+](=O)[O-])c1 351889818 VGUIFGSMSDXDLY-UHFFFAOYSA-N 304.266 -0.170 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC(=O)N1 593600855 HCUFYYQBZGCUCA-SSDOTTSWSA-N 300.296 -0.501 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 596132849 RQPRZWCXNXFTMV-ZETCQYMHSA-N 301.328 -0.300 5 10 DBBE CN(C)C[C@@]1(O)CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 597575486 ZFFVEWMJHATFMK-LBPRGKRZSA-N 312.330 -0.899 5 10 DBBE NS(=O)(=O)[C@@H]1CCCN(c2nc(F)ncc2[N+](=O)[O-])C1 707234878 QZCVPBBPWIZVBY-ZCFIWIBFSA-N 305.291 -0.219 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] 710874635 NQAOYSQHKPSHHE-IYSWYEEDSA-N 323.352 -0.333 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)c1cnn(C)n1 791793530 CCCDOURTCFJKFH-UHFFFAOYSA-N 308.254 -0.346 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(C2)NC(=O)NC3=O)c1 1159370313 HXCAOLSAXKCBDK-UHFFFAOYSA-N 320.261 -0.363 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC(NC2COC2)C1 1179462010 RAVRFJVYCLGWDF-UHFFFAOYSA-N 301.690 -0.216 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(O)nc1 1355591559 DSSVINDXKAAPFR-NXEZZACHSA-N 308.294 -0.359 5 10 DBBE O=C(NCCN(CC(=O)N1CCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1481168651 BUOUKBISSOUCCP-VXGBXAGGSA-N 310.354 -0.536 5 10 DBBE O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[C@@H](O)[C@@H](O)C1 1557961934 NBPHOEDBTXMUKZ-MNOVXSKESA-N 324.289 -0.066 5 10 DBBE CN(C)C(=O)c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1 1611438440 XDYJPFRUJUCFCF-UHFFFAOYSA-N 319.281 -0.078 5 10 DBBE Cc1nc[nH]c1CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1689582780 JKILFEGZBLELQZ-MWLCHTKSSA-N 321.337 -0.309 5 10 DBBE CN(CCCNC(=O)c1cncnc1O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703601587 CIGXYRHSOXVIGI-PSASIEDQSA-N 323.309 -0.574 5 10 DBBE CN(CCNC(=O)Cn1ncnn1)c1ncc([N+](=O)[O-])cc1F 1705471860 WBLMOLGXVQEQMD-UHFFFAOYSA-N 324.276 -0.632 5 10 DBBE NS(=O)(=O)C1CN(c2nc(C(=O)O)ccc2[N+](=O)[O-])C1 1915001872 SRPUVZKLGDIUAM-UHFFFAOYSA-N 302.268 -0.835 5 10 DBBE CCS(=O)(=O)N(C)CCN=c1[nH]cnc(F)c1[N+](=O)[O-] 1926345829 QXLCWOSXZICCKL-UHFFFAOYSA-N 307.307 -0.361 5 10 DBBE N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2148815728 HXSPSJDOTBKWFC-ZJUUUORDSA-N 302.312 -0.616 5 10 DBBE NCCN(CCN)S(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2152186123 FQWYBPPHQVZBON-UHFFFAOYSA-N 306.319 -0.358 5 10 DBBE CS[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2205580730 CLPMHKLXJRIQDA-DTWKUNHWSA-N 318.380 -0.029 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1N=c1[nH]c(F)ncc1[N+](=O)[O-] 2207468617 CPUXHNWBJZHVDF-VDTYLAMSSA-N 306.275 -0.830 5 10 DBBE Cc1[nH]ccc(=N[C@@H]2COC[C@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2207474085 OLYZUAVADGGNJG-NXEZZACHSA-N 301.324 -0.056 5 10 DBBE NC[C@](CF)(C(=O)O)n1nc([N+](=O)[O-])nc1Br 2246671116 WZLRSKYFLIJLSR-ZCFIWIBFSA-N 312.055 -0.343 5 10 DBBE COc1nccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)c1[N+](=O)[O-] 2288671272 ZWYMUKSGHYBHLK-HTQZYQBOSA-N 303.296 -0.432 5 10 DBBE O=C(O)[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 90262679 IHLRNVZHGDBIEW-ZETCQYMHSA-N 308.243 -0.542 5 10 DBBE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@H](O)CO)c1 90281423 BUKJMCSPZRSZEM-ZETCQYMHSA-N 310.715 -0.120 5 10 DBBE C[C@H](O)[C@@H](N)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 126847119 SSMUQFFMLCDLIM-XPUUQOCRSA-N 307.303 -0.280 5 10 DBBE Cc1nn(C)c(C(=O)N2CCN(CCO)[C@@H](C)C2)c1[N+](=O)[O-] 187263210 NFZIDCAVCSHPEA-VIFPVBQESA-N 311.342 -0.225 5 10 DBBE O=C(O)[C@H](O)CCNS(=O)(=O)c1cncc([N+](=O)[O-])c1 312688078 BKRZKQVEBUNGIJ-MRVPVSSYSA-N 305.268 -0.896 5 10 DBBE NS(=O)(=O)C[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 357944741 NMNMUXRVCZEAFR-VIFPVBQESA-N 303.344 -0.456 5 10 DBBE O=C(C[C@@H]1NC(=O)NC1=O)NCCOc1ccc([N+](=O)[O-])cc1 535723415 BCNFKQUZKXRIKS-JTQLQIEISA-N 322.277 -0.312 5 10 DBBE CCCNC(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594745537 UXMWVPPKZQKWIL-UHFFFAOYSA-N 302.312 -0.206 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2CO)c1 704636087 TUTFNYYLQZJBTP-NXEZZACHSA-N 302.308 -0.289 5 10 DBBE COc1cc(CS(=O)(=O)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sn1 851437504 MBNNZJYOXPBCKQ-RNFRBKRXSA-N 321.336 -0.237 5 10 DBBE CO[C@H](C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 861327143 UODMSMLUDDDMDH-QMMMGPOBSA-N 318.311 -0.442 5 10 DBBE Cc1nn[nH]c1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941007071 CVJQHDHOMQVXGS-NXEZZACHSA-N 322.325 -0.547 5 10 DBBE O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1127448928 OBUHMQSGKKAFSY-DNRKLUKYSA-N 318.351 -0.496 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@H]2CCCCO2)n1 1331716590 ONRCHZXIBLOOQP-MRVPVSSYSA-N 318.311 -0.298 5 10 DBBE C[C@]12CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]1CS(=O)(=O)C2 1472244855 QKDJMLMASMHQIM-WRWORJQWSA-N 314.323 -0.175 5 10 DBBE Cc1c(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1501688565 BJTWWZLTAUIMSE-ISBNUJHVSA-N 321.337 -0.204 5 10 DBBE NC(=O)[C@@H](O)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 1556460599 XWEXIZRZFJRCIT-VIFPVBQESA-N 301.686 -0.247 5 10 DBBE O=C(NCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)c1nc[nH]n1 1577785627 RWLYKATXSXCZHZ-NXEZZACHSA-N 322.325 -0.419 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CC(C2CS(=O)(=O)C2)C1 1628119762 OUIYRJUWNKKXBR-UHFFFAOYSA-N 300.296 -0.566 5 10 DBBE C[S@@](=O)(=NC(=O)CCn1cnc([N+](=O)[O-])c1)C1CNC1 1924607184 QREKRZVOARHJGJ-FQEVSTJZSA-N 301.328 -0.222 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NC1(CO)COC1 2189264387 MBTUTWDKQPXCCV-UHFFFAOYSA-N 306.271 -0.227 5 10 DBBE C[C@H](NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-])C(N)=O 126688662 XRMLRYLHIDQTIY-YFKPBYRVSA-N 303.300 -0.968 5 10 DBBE NNc1cccc(S(=O)(=O)N2CC[C@H](CO)C2)c1[N+](=O)[O-] 126831038 UWIMOHFXJHBYLI-QMMMGPOBSA-N 316.339 -0.117 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2COC[C@H]2O)ccc1F 323487466 LPGPVQSYCNSMFY-WCBMZHEXSA-N 306.271 -0.228 5 10 DBBE C[C@@H](O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 593606805 CAOKWBHZHMKBMM-PSASIEDQSA-N 317.323 -0.240 5 10 DBBE CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593610419 YZFMVULTHKJBDH-MRVPVSSYSA-N 314.323 -0.254 5 10 DBBE CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599327381 GKZRUXOASZDJFO-SSDOTTSWSA-N 319.343 -0.480 5 10 DBBE CNc1ncc([N+](=O)[O-])c(N(C)CCNS(C)(=O)=O)n1 689778382 CJFFJEZKXGCRKW-UHFFFAOYSA-N 304.332 -0.588 5 10 DBBE COC[C@H](Cn1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C)OC 694633275 COBZXDNNFIETPY-ZETCQYMHSA-N 308.316 -0.591 5 10 DBBE O=C(c1cnn[nH]1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941011577 GNZRDFVWCHOMKH-PSASIEDQSA-N 308.298 -0.856 5 10 DBBE Cn1ncnc1C1(O)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 1153625447 RBXFVGQSVNZGOQ-UHFFFAOYSA-N 319.277 -0.228 5 10 DBBE CN(C)S(=O)(=O)CCC(=O)NCCn1cc([N+](=O)[O-])cn1 1294740375 AKWSBKPPAVNHSZ-UHFFFAOYSA-N 319.343 -0.811 5 10 DBBE CS(=O)(=O)C[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 1298395254 IKHXBXFAQYWFOY-ZETCQYMHSA-N 302.312 -0.175 5 10 DBBE Cn1cc(CN2CCCC[C@@H]2CS(N)(=O)=O)c([N+](=O)[O-])n1 1308010068 YCAVAKNVRGOYRY-SNVBAGLBSA-N 317.371 -0.029 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC2(CCOCC2)C1 1340663827 XTLFKAZDTGJBLN-UHFFFAOYSA-N 311.298 -0.406 5 10 DBBE O=C(C[C@@H]1CCCS1(=O)=O)NCCn1cc([N+](=O)[O-])cn1 1445741028 JPIPJFMAYUUFJJ-JTQLQIEISA-N 316.339 -0.125 5 10 DBBE O=C1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C2(CN1)COC2 1620556592 QKANISYPEGMEOW-UHFFFAOYSA-N 320.305 -0.266 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1 1630213162 SCPVVLWGXXKXHD-MRVPVSSYSA-N 322.281 -0.813 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2[C@H]1CCCN2CCO 1646490346 YYHIIGDZCBSIAK-WDEREUQCSA-N 309.326 -0.011 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H](O)CO)CC1 1652707523 YASWUXQPOSTYIF-CYBMUJFWSA-N 309.322 -0.294 5 10 DBBE Cc1nnsc1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737725935 HLGZGLFBBATYNN-HTQZYQBOSA-N 313.339 -0.300 5 10 DBBE CS(=O)(=O)c1nn(-c2ccc([N+](=O)[O-])nc2)cc1C(N)=O 2080304280 QZEPOUKYGXBRPG-UHFFFAOYSA-N 311.279 -0.322 5 10 DBBE O=[N+]([O-])c1ccc(F)c(CN[C@@H]2CS(=O)(=O)C[C@H]2O)c1 2177837607 DDIGZJZEJFREDP-GHMZBOCLSA-N 304.299 -0.019 5 10 DBBE CO[C@@H]1C[C@@H]1NS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 2188217727 BUINEXLVTFIIGO-IONNQARKSA-N 302.312 -0.054 5 10 DBBE CO[C@H]1C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 2188223180 STHIOTLFDIJJHR-SCZZXKLOSA-N 302.312 -0.054 5 10 DBBE O=[N+]([O-])c1ccc(NS(=O)(=O)N2CCCNCC2)nc1 2202439783 NTSJKBRHYWFSOA-UHFFFAOYSA-N 301.328 -0.058 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1Nc1ncnc(N)c1[N+](=O)[O-] 2207456840 FOQJZRQLNBPICM-PHDIDXHHSA-N 303.300 -0.809 5 10 DBBE NC(CO)(CO)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2286189792 YQWZDCTVKQLMCM-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE CNC(=O)[C@@H]1CNCCN1c1nc2sccn2c1[N+](=O)[O-] 89088021 QJXWCWVWTVCHCX-ZETCQYMHSA-N 310.339 -0.172 5 10 DBBE O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)CCN1 129856788 XKPDIZOGHABZFH-UHFFFAOYSA-N 303.271 -0.146 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOC(N)=O 163925960 NERHDMUEIHWWDY-UHFFFAOYSA-N 319.299 -0.746 5 10 DBBE O=C(CN1CC(=O)NC1=O)NCCc1ccccc1[N+](=O)[O-] 266097780 FFOSVMVELZYZIN-UHFFFAOYSA-N 306.278 -0.195 5 10 DBBE NS(=O)(=O)c1c(N2CCn3nncc3C2)cccc1[N+](=O)[O-] 566484216 QGIIUINZZAPTSN-UHFFFAOYSA-N 324.322 -0.146 5 10 DBBE CN(C)CCN1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1=O 596290609 OWXPCHBLMNKPKZ-UHFFFAOYSA-N 308.342 -0.218 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CCNC2)n1 599098206 RADHQNHLMIKSDU-QMMMGPOBSA-N 303.344 -0.394 5 10 DBBE Cc1ccc(S(=O)(=O)NC2(CN)COC2)cc1[N+](=O)[O-] 707861806 RXXHXQAQTHFZSP-UHFFFAOYSA-N 301.324 -0.091 5 10 DBBE CNc1ncnc(NCC2(S(N)(=O)=O)CC2)c1[N+](=O)[O-] 713947699 FOEUVNBCLBKKFB-UHFFFAOYSA-N 302.316 -0.341 5 10 DBBE C[C@H](O)[C@H](O)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 717414391 JIKCITXHBRAIIB-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE CC(CO)(CO)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722220157 UVEKICPENJHPCV-UHFFFAOYSA-N 305.312 -0.801 5 10 DBBE O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 725373821 XELOHEJSGNQJJF-KCJUWKMLSA-N 311.319 -0.039 5 10 DBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@@H](O)C[C@@H](O)C1 755434330 CESMYHXYCKBMRN-TXEJJXNPSA-N 320.305 -0.101 5 10 DBBE CNC(=O)[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 1161155229 DMEQMUDUXDNVCI-QJPTWQEYSA-N 307.306 -0.079 5 10 DBBE CO[C@@]1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCSC1 1289099657 MKZIPZJAOSRJBF-SNVBAGLBSA-N 301.328 -0.175 5 10 DBBE Cc1cnc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1528110323 HYMYBGKYTZDEDJ-MWLCHTKSSA-N 307.310 -0.362 5 10 DBBE Cc1[nH]nc(C(=O)NC2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 1625691154 LSRNXZPBYWFIJO-UHFFFAOYSA-N 302.312 -0.067 5 10 DBBE CN(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 1653690423 GHMQPJZAROROLY-JTQLQIEISA-N 317.371 -0.206 5 10 DBBE CN(C)CCCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1737479780 NGSDXPIMYGVRRC-WRWGMCAJSA-N 312.370 -0.243 5 10 DBBE CN(C(=O)CCc1nc[nH]n1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1739378819 WCLGSEPYHLNCCU-NXEZZACHSA-N 322.325 -0.928 5 10 DBBE CCN(CCCNC(=O)c1[nH]nnc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758512699 JWOKKSXRARMJAQ-NXEZZACHSA-N 324.341 -0.253 5 10 DBBE Cn1c(O)nc(Sc2nc(F)ncc2[N+](=O)[O-])nc1=O 2158218944 XQZHQGDJZSZYDQ-UHFFFAOYSA-N 300.231 -0.131 5 10 DBBE C[C@@H](CCS(C)(=O)=O)N=c1[nH]c(NN)ncc1[N+](=O)[O-] 2160748239 HELJPIAOZWNKQA-LURJTMIESA-N 304.332 -0.673 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2174116268 MIHLWPPBWUKAIN-WCBMZHEXSA-N 304.324 -0.244 5 10 DBBE CC[S@@](C)(=O)=NCCN=c1[nH]c(=NC)[nH]cc1[N+](=O)[O-] 2187301400 FASNPECNZNQNOM-HXUWFJFHSA-N 302.360 -0.200 5 10 DBBE C[C@H](NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-])c1nn[nH]n1 50672573 QYPAVICLESCJSM-YFKPBYRVSA-N 313.299 -0.270 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCS(=O)(=O)C[C@@H]1CC(=O)O 126017791 GROZGKPEKYEZMK-ZETCQYMHSA-N 318.311 -0.594 5 10 DBBE COC[C@@H](O)CN(C)S(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126977856 DOSQIJZJRNBRFA-QMMMGPOBSA-N 319.339 -0.195 5 10 DBBE NS(=O)(=O)CCCNc1ncc([N+](=O)[O-])cc1C(=O)O 236290640 VYBHIDWHAZNXER-UHFFFAOYSA-N 304.284 -0.222 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@](O)(CO)C2)c1 313824783 WBCMAFMCXVPFAM-LLVKDONJSA-N 302.308 -0.287 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2CCOC[C@@H]2C1 352191138 RIBYAAJBUZFXFO-JTQLQIEISA-N 307.310 -0.271 5 10 DBBE CNS(=O)(=O)NCC(=O)NCc1cccc([N+](=O)[O-])c1C 451345611 LOLJZTIIRFWDCC-UHFFFAOYSA-N 316.339 -0.427 5 10 DBBE O=C1C[C@]2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CN1 580991285 AMAZUKPJJZSSRX-CYBMUJFWSA-N 307.310 -0.080 5 10 DBBE CC(C)CNC(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1318119412 UAAPGPRDKRABDS-VXGBXAGGSA-N 312.370 -0.528 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCN(C)CCO 1454165332 JKYBFFGUDPDLKY-UHFFFAOYSA-N 313.358 -0.128 5 10 DBBE CN1CC(N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 1520653770 VJBLYCYTTRDHFL-UHFFFAOYSA-N 308.342 -0.751 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](CO)CN1CCCC1 1569932631 WWZRUHFBBDOCTE-LLVKDONJSA-N 311.342 -0.327 5 10 DBBE COC(=O)[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H](C)O1 1628411551 OYHSYDANWQLUOQ-XVKPBYJWSA-N 324.293 -0.026 5 10 DBBE COCC[C@@](C)(O)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1634434446 KNKTYFVRBCCUPV-CYBMUJFWSA-N 313.310 -0.340 5 10 DBBE CNc1nccc(C(=O)N2[C@H](CO)CC[C@H]2CO)c1[N+](=O)[O-] 1640142384 TUFKUVZCMFVTHL-IUCAKERBSA-N 310.310 -0.011 5 10 DBBE CC(C)(C)NC(=O)Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156812563 DCSMKZFXXQHYHO-UHFFFAOYSA-N 305.316 -0.647 5 10 DBBE C[C@H](O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)s1 2201009441 XNXVOXRRFNHDAL-BNJNZJEJSA-N 304.324 -0.388 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Oc2nccc(N)c2[N+](=O)[O-])C1 2285596707 HQPNLMVYCFYQRY-SSDOTTSWSA-N 302.312 -0.015 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](O)C1 61712732 KXNPOCOSUBBGCD-MRVPVSSYSA-N 302.312 -0.364 5 10 DBBE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)c1 93091883 QPZPNWUEJGKKAP-DTORHVGOSA-N 322.726 -0.026 5 10 DBBE C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1NN)[S@](C)=O 312199178 BSLTUQUQEXMGIJ-SVPXGXJHSA-N 301.328 -0.228 5 10 DBBE COC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)OC 594773777 UMNWWNMNDQIKIL-SSDOTTSWSA-N 319.295 -0.544 5 10 DBBE C[C@@H]1NCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1C 599109680 VUISXXHSBKEJAE-JGVFFNPUSA-N 303.344 -0.301 5 10 DBBE CCOC(=O)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599224682 DDDCJDGKTUATQI-UHFFFAOYSA-N 306.300 -0.488 5 10 DBBE COC[C@@]1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 599692663 LGLPCMUXQCHFOT-QWHCGFSZSA-N 314.342 -0.111 5 10 DBBE C[C@H](C[S@@](C)=O)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1138185318 FNQHAAXAILLHNN-ZPWHCFADSA-N 301.324 -0.360 5 10 DBBE NC(=O)N1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 1140243621 ZPMTVWCXXVWHER-VIFPVBQESA-N 310.314 -0.302 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1ccn(C)n1 1284522848 YIIHNQUQOCQUSP-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@]2(CCS(=O)(=O)C2)C1 1349470509 YDMPLJHQPOUTGW-FXPVBKGRSA-N 304.324 -0.932 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCS(=O)(=O)CC)n1 1359832318 WYGDOJYRBGBEBZ-UHFFFAOYSA-N 304.328 -0.024 5 10 DBBE CCN(CCNCC(=O)N(C)C1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1482925609 ZNRCSPUTAAZNCZ-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE CNC(=O)C1(NC(=O)c2nn(C)cc2[N+](=O)[O-])CCOCC1 1616515114 OQBLQWYRMYLQFC-UHFFFAOYSA-N 311.298 -0.647 5 10 DBBE O=C(COCC1CC1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1704561573 XYZYTJRMOHEQNV-VXGBXAGGSA-N 311.338 -0.347 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cnn(C)c1 1737726385 RGCIOONDDZGZSK-GHMZBOCLSA-N 309.326 -0.798 5 10 DBBE O=C1NOC[C@@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2148980523 GYYORUHOZWLETA-QMMMGPOBSA-N 301.280 -0.556 5 10 DBBE O=C(Nc1ncccc1[N+](=O)[O-])[C@@H]1CNCCS1(=O)=O 2202433544 KGRMYQGPWWMQDX-QMMMGPOBSA-N 300.296 -0.685 5 10 DBBE CC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)s1 2357916483 YQSUJDXDVBLWHO-XKSSXDPKSA-N 302.308 -0.238 5 10 DBBE NC(=O)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 26483074 JPBCPOKEDIHDEU-UHFFFAOYSA-N 308.298 -0.693 5 10 DBBE COC(=O)[C@@H](CO)NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 35160650 GANXUCMPTALOIL-MRVPVSSYSA-N 300.271 -0.942 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNC2CCS(=O)(=O)CC2)c1 37893287 ONRJWWSCBDTYMD-LLVKDONJSA-N 318.355 -0.681 5 10 DBBE NC(=O)CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 75242308 XAUHPVGCNZBPAX-SECBINFHSA-N 309.278 -0.028 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](N)[C@@H](C)O 80749078 MSGDUDHDWOLCRC-VXNVDRBHSA-N 319.339 -0.410 5 10 DBBE CC(C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@H]12)[C@H](C)O 248144681 DNAWGBOKUFFVMB-SERXHIIQSA-N 315.366 -0.315 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1[C@@H]1CCS(=O)(=O)C1 306034734 XDEZDDTVKMTNJP-ZCFIWIBFSA-N 324.340 -0.893 5 10 DBBE COc1ccc(S(=O)(=O)N2C[C@H](O)CO2)cc1[N+](=O)[O-] 312749063 KLYTZAUOHMCGIR-ZETCQYMHSA-N 304.280 -0.100 5 10 DBBE CO[C@H](CNS(=O)(=O)c1cncc([N+](=O)[O-])c1)C(=O)O 312859432 ZEAXWVJYRWVDRL-MRVPVSSYSA-N 305.268 -0.632 5 10 DBBE C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 356890515 DEILHVBZMBMIIN-VHSXEESVSA-N 312.330 -0.900 5 10 DBBE COC[C@@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593570815 MBGHMTZKVFDQSJ-MRVPVSSYSA-N 305.312 -0.335 5 10 DBBE CCN1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1=O 594779645 XFVCYJOPUPCHMN-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE NNc1ncc([N+](=O)[O-])c(N2CCSC[C@@H]2CCO)n1 689676867 HWLHFCGSOGCMDJ-ZETCQYMHSA-N 300.344 -0.025 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CNC[C@@H]2O)ccc1Cl 699965920 CGKOZGUPTOZDTP-SCZZXKLOSA-N 321.742 -0.141 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCNC[C@H]2O)c1 710423768 WTCSTKAVVPAQGZ-GHMZBOCLSA-N 301.324 -0.404 5 10 DBBE CS(=O)(=O)C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1137252650 ZMNWURZTPIWIGH-UHFFFAOYSA-N 302.312 -0.033 5 10 DBBE O=C(NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@]1(F)CCOC1 1329809333 OSXMZKMNCDVLET-JTQLQIEISA-N 319.270 -0.077 5 10 DBBE CCOC[C@H](C)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1343184458 MIQXRZVZXSDOBH-VIFPVBQESA-N 313.314 -0.551 5 10 DBBE COC(=O)[C@H]1COCCN1C(=O)Cn1c([N+](=O)[O-])cnc1C 1435370094 NSHZCKDCXFJDBL-SECBINFHSA-N 312.282 -0.500 5 10 DBBE CN1CCC(N(CCO)C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1469565218 OZMKGORKGBHPOB-UHFFFAOYSA-N 311.342 -0.294 5 10 DBBE Cn1cnc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1533455478 WCRRUJPPVVYVJO-NWRGJWMSSA-N 307.310 -0.513 5 10 DBBE CNS(=O)(=O)C[C@@H]1CCCN1c1c([N+](=O)[O-])cnn1C 1612047161 ISRYHKQOIVQVIQ-QMMMGPOBSA-N 303.344 -0.154 5 10 DBBE Cc1nn(C)c(N2CCC(O)(COCCO)CC2)c1[N+](=O)[O-] 1640429689 VDEKYUDICUVAEA-UHFFFAOYSA-N 314.342 -0.023 5 10 DBBE Cc1ccc(CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] 1654229704 SHIMOQICXLKGRL-PHIMTYICSA-N 306.322 -0.078 5 10 DBBE NC1(c2cc3c(cc2[N+](=O)[O-])OCCO3)CS(=O)(=O)C1 2146087390 NJMQUUQCHLZILS-UHFFFAOYSA-N 300.292 -0.052 5 10 DBBE CCS(=O)(=O)C[C@@H](C)N=c1[nH]c(=N)[nH]c(C)c1[N+](=O)[O-] 2170584684 DCNISWXOBONMPO-ZCFIWIBFSA-N 303.344 -0.237 5 10 DBBE C[C@@H](O)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2174118225 FTUAPLTZWSMYTK-SVRRBLITSA-N 308.287 -0.246 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN[C@@H]2COC[C@@H]2S(C)(=O)=O)n1 2207465134 KXYHPQITYJNKDR-SCZZXKLOSA-N 304.328 -0.770 5 10 DBBE Nc1cc(NC[C@@H]2NC[C@@H](O)[C@@H]2O)c(Cl)cc1[N+](=O)[O-] 2234248029 FTMJOKITJZMOLV-JMJZKYOTSA-N 302.718 -0.064 5 10 DBBE O=[N+]([O-])c1c[nH]ccc1=NCCN1CCS(=O)(=O)CC1 340155027 OMGRFGVDSXQTOA-UHFFFAOYSA-N 300.340 -0.446 5 10 DBBE CN(CC(=O)N1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cn1 531883137 RLSQZNXHSIATNF-UHFFFAOYSA-N 308.294 -0.079 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC[C@@](O)(CO)C1 594785562 NMYKEBUSWPWCLY-NSHDSACASA-N 317.323 -0.502 5 10 DBBE CN(C)C[C@@]1(O)CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 619254236 KHVKXDORSLMEOC-ZDUSSCGKSA-N 311.342 -0.143 5 10 DBBE CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 845855394 RGPUGXNUIZSNDO-UHFFFAOYSA-N 314.323 -0.111 5 10 DBBE COC[C@@](C)(NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC 1116512888 GXFVMFXBBUQIJH-LLVKDONJSA-N 300.271 -0.364 5 10 DBBE COC[C@]1(CO)CCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)C1 1158341711 OZOLCLOKWKQWEW-CYBMUJFWSA-N 312.326 -0.043 5 10 DBBE Cc1nn(C)c(N2CCC(NS(N)(=O)=O)CC2)c1[N+](=O)[O-] 1261792551 CATGUEBZDXFVFX-UHFFFAOYSA-N 318.359 -0.601 5 10 DBBE CC1=NNC(=O)[C@H]1CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C 1306538551 GLBVERBGAZZZKS-QMMMGPOBSA-N 308.298 -0.121 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@@H]2CCSC2)n1 1329987311 WYRVWGZVZLKYJA-ZCFIWIBFSA-N 320.352 -0.114 5 10 DBBE CCn1nnc(C)c1CN(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1492249420 FDWHSAWBUYTJCT-GHMZBOCLSA-N 310.358 -0.180 5 10 DBBE C[C@H]1CN(CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1570297117 ANHMTYWQDQONIJ-NSHDSACASA-N 324.337 -0.719 5 10 DBBE CS(=O)(=O)C1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 1629956201 ITNZPTDRLWRCPK-UHFFFAOYSA-N 300.296 -0.559 5 10 DBBE CCN1CCN(CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 1632798032 XQVMKMSSMRYVLW-UHFFFAOYSA-N 322.369 -0.061 5 10 DBBE O=C(CN1CCCC1=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689220183 CYAKWIJOQHINQZ-COUIAZAYSA-N 324.337 -0.937 5 10 DBBE CCCCC(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1701258567 PACAQCPQQXWBRE-GHMZBOCLSA-N 313.354 -0.079 5 10 DBBE CCC(=O)N(CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1702738981 WVBVXHRTZFWEAR-VXGBXAGGSA-N 313.354 -0.127 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)n1 1746900570 AFZVPWZAPVKHRV-PSASIEDQSA-N 310.314 -0.989 5 10 DBBE CN(C)CCCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1758760649 PTQHKMHKCRKCIB-DIACKHNESA-N 324.381 -0.434 5 10 DBBE CCN1CCN(CCNC(=O)c2cnc([N+](=O)[O-])n2C)CC1 1850574396 BWQGSDGWOJAOFL-UHFFFAOYSA-N 310.358 -0.304 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)NC[C@H](C)O)c1 1861338877 ZPRKXMVBSFUYKP-QMMMGPOBSA-N 311.294 -0.170 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@H](O)C(=O)O 2176843534 SDQGSBQNCDFBHQ-XNCJUZBTSA-N 305.268 -0.898 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCO1 2189563749 OLYOAUNRWIWOQA-MRVPVSSYSA-N 302.312 -0.052 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1NC(=O)c1cc([N+](=O)[O-])cs1 2192657883 OSJRDLJJHWSIJA-VXNVDRBHSA-N 319.364 -0.229 5 10 DBBE C[C@H](O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@H](O)[C@@H]2CO)s1 2201009547 XNXVOXRRFNHDAL-RXHUMLQZSA-N 304.324 -0.388 5 10 DBBE O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1NC[C@H](O)[C@@H]1O 2201149030 KNZWRRXFHMBDTJ-AEJSXWLSSA-N 301.686 -0.120 5 10 DBBE CO[C@H]1CNC[C@H]1S(=O)(=O)N=c1cc[nH]cc1[N+](=O)[O-] 2202432653 UNMXHIKJJFOKRG-VHSXEESVSA-N 302.312 -0.860 5 10 DBBE O=[N+]([O-])c1c(N2CC[C@](O)(CO)[C@@H](O)C2)ccnc1Cl 2234099996 IBEHHGCWPSQITD-KWQFWETISA-N 303.702 -0.062 5 10 DBBE Cc1n[nH]cc1S(=O)(=O)NCc1nn(C)cc1[N+](=O)[O-] 2240654715 UZSIKKKZXBPKJY-UHFFFAOYSA-N 300.300 -0.162 5 10 DBBE NC(=O)C(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(N)=O 23388195 VKMTXKXPGYCLHO-UHFFFAOYSA-N 300.658 -0.683 5 10 DBBE O=C(O)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 90262955 CERCVACNCPSYFO-SSDOTTSWSA-N 308.243 -0.542 5 10 DBBE CC(C)[C@@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@H]12)[C@H](C)O 299817461 DNAWGBOKUFFVMB-BQJWYLBZSA-N 315.366 -0.315 5 10 DBBE CN(C[C@H](O)CN)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 313151308 GRGYXELBGMACGU-SSDOTTSWSA-N 307.303 -0.326 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN3CCCN2CC3)n1 597626384 SVVAOLGTRQQHOB-NSHDSACASA-N 322.369 -0.069 5 10 DBBE CN(C)CCCN(C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1 597989308 CICHQMXRYWHQDC-UHFFFAOYSA-N 312.374 -0.209 5 10 DBBE Cc1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1[N+](=O)[O-] 610606635 NECDLELDYGQXST-PHIMTYICSA-N 323.305 -0.204 5 10 DBBE O=C(O)[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CCS1 699232464 FECIZDPTERNQIK-ZETCQYMHSA-N 300.296 -0.180 5 10 DBBE CN(CCS(N)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 719385306 UWIMVMGOGNOBSN-UHFFFAOYSA-N 323.352 -0.496 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2nn[nH]n2)C1 1175698234 NADUJGOLLXBBFS-VIFPVBQESA-N 305.298 -0.241 5 10 DBBE CN1CCN(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 1540508400 XOGKFEXBIJPNBP-CQSZACIVSA-N 322.365 -0.008 5 10 DBBE Cn1ccc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1570759824 PKYNFQBQXLWLPO-VXGBXAGGSA-N 323.353 -0.862 5 10 DBBE CCC[C@H](O)[C@H](CO)NC(=O)Cn1c([N+](=O)[O-])cnc1C 1637672714 VQELENMBYUJLCS-UWVGGRQHSA-N 300.315 -0.262 5 10 DBBE NS(=O)(=O)C[C@H]1CCCN1c1ncnc(F)c1[N+](=O)[O-] 2146413599 XIPQTIBMVYXARM-ZCFIWIBFSA-N 305.291 -0.219 5 10 DBBE CN1C[C@@H](O)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 2146512361 BGIHNTASHKLNAC-GHMZBOCLSA-N 301.324 -0.452 5 10 DBBE O=[N+]([O-])c1ccc(NC(CO)(CO)CO)c2nsnc12 2155845695 NYBYFOAXFFTSQU-UHFFFAOYSA-N 300.296 -0.273 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CC2(C1)OC[C@@H](O)[C@H]2O 2183639225 SFSAXFMTJSZUPT-RNFRBKRXSA-N 302.674 -0.651 5 10 DBBE COCC[S@@](=O)CCNc1ncnc(NN)c1[N+](=O)[O-] 2207025098 FGVVWOCABSVSDN-FQEVSTJZSA-N 304.332 -0.523 5 10 DBBE COc1ccc(S(=O)(=O)NCc2nnn[nH]2)c([N+](=O)[O-])c1 44930676 MNNSXCSARQBKLE-UHFFFAOYSA-N 314.283 -0.405 5 10 DBBE COc1cc(S(=O)(=O)CCS(N)(=O)=O)ccc1[N+](=O)[O-] 70214108 QUHRKEMXUBLDBS-UHFFFAOYSA-N 324.336 -0.334 5 10 DBBE C[C@@H](O)[C@@H](N)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 80748819 QKNRRCYOZZUMBG-MUWHJKNJSA-N 307.303 -0.280 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CN(c2ccccc2)C1=O 344270475 DXLXAJQAQXBQQP-SNVBAGLBSA-N 316.277 -0.282 5 10 DBBE CN(CC(=O)N1CCNCC1)C(=O)c1cc([N+](=O)[O-])cnc1O 563038507 UNXJJVQWEOGVEV-UHFFFAOYSA-N 323.309 -0.801 5 10 DBBE CN(CC1(O)CCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599282276 ZDMVIHUUEDTQQY-UHFFFAOYSA-N 304.328 -0.136 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNC[C@@H]2O)c(Cl)c1 699965690 ALBKJBORORDUCN-IUCAKERBSA-N 321.742 -0.141 5 10 DBBE O=C(c1cccnn1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941012871 QIUYQRMNJFBENO-ZYHUDNBSSA-N 319.321 -0.184 5 10 DBBE C[C@@](CO)(NCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1 1307999060 FHZDGLBGWUGNRA-AWEZNQCLSA-N 322.321 -0.056 5 10 DBBE O=C1C[C@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CN1 1324897715 BSJMGKNRIIEOPA-CQSZACIVSA-N 320.305 -0.505 5 10 DBBE COCCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1465541498 HSFAAYNPSQOXFA-NXEZZACHSA-N 311.298 -0.751 5 10 DBBE CC(C)(C(=O)NCCN1CCNC1=O)n1cc([N+](=O)[O-])cn1 1535148057 GXFNWTAFCRCPNF-UHFFFAOYSA-N 310.314 -0.332 5 10 DBBE CCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H]1CC(=O)NC1=O 1544343651 KNTSTUWIRXAUEY-BYPYZUCNSA-N 315.673 -0.152 5 10 DBBE O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)c1ccc([N+](=O)[O-])[nH]1 1636389231 BIDCSFOFOJHQQQ-ZXZZCXTASA-N 318.245 -0.494 5 10 DBBE CNC(=O)Cn1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)cn1 1638205594 RRHKOOODEHBSNW-UHFFFAOYSA-N 321.297 -0.168 5 10 DBBE COCC1(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1688608978 KGDNHNIEDJWUIL-GHMZBOCLSA-N 311.338 -0.205 5 10 DBBE Cn1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1O 1689612424 MOLUQACYPXUGJE-VXNVDRBHSA-N 323.309 -0.831 5 10 DBBE C[C@H]1[C@H](O)CN1S(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 2182524862 XCANWMYHFFUOMV-IMTBSYHQSA-N 302.312 -0.366 5 10 DBBE NNc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCO1 2189561932 GSBYJUDBBSTSPU-ZETCQYMHSA-N 302.312 -0.052 5 10 DBBE COc1ccc(S(=O)(=O)NC(CO)CO)c([N+](=O)[O-])c1 87752722 MNHGFFYMNOMQKI-UHFFFAOYSA-N 306.296 -0.765 5 10 DBBE NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccnc(Cl)c1[N+](=O)[O-] 88804649 BMMZGUHRPYSIQF-IYSWYEEDSA-N 314.685 -0.296 5 10 DBBE NNc1ccc(S(=O)(=O)N[C@H]2CCOC2)c([N+](=O)[O-])c1 131586195 KRMWNDXGYUUEEB-QMMMGPOBSA-N 302.312 -0.052 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOC[C@@H]1CO 168915194 PIITWYCZCOKKJZ-VIFPVBQESA-N 317.323 -0.441 5 10 DBBE NS(=O)(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 344425733 WCYGDRNVOWWJDV-SECBINFHSA-N 315.355 -0.001 5 10 DBBE O=C(NC1CNC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 580823938 FMBIGBLMHVIBIC-UHFFFAOYSA-N 320.305 -0.728 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2=CCNCC2)n1 599104816 GCBPMVOSOUMLBV-UHFFFAOYSA-N 301.328 -0.474 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC[C@H]2O)c(Cl)c1 699912703 ALBKJBORORDUCN-RKDXNWHRSA-N 321.742 -0.141 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CNC[C@H]1O 699961773 GZXMJPRNAKEBKJ-WCBMZHEXSA-N 301.324 -0.486 5 10 DBBE C[C@H](O)[C@@H](O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 717414339 IJWFVPJWLNVNBR-WKEGUHRASA-N 306.296 -0.680 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H](C2OCCO2)C1 1321575135 CYSAFZOINQDNIO-VIFPVBQESA-N 311.298 -0.202 5 10 DBBE NC(=O)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 1332612463 LQRSJAUINOIIRZ-MRVPVSSYSA-N 314.323 -0.124 5 10 DBBE COc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(C1)NC(=O)NC2=O 1637435223 CQYQBYJRCKSBGY-UHFFFAOYSA-N 320.261 -0.363 5 10 DBBE COc1cc(C(=O)NC[C@@H](O)Cn2ccnn2)ccc1[N+](=O)[O-] 1638697538 SHEYXFJRAJINMG-SNVBAGLBSA-N 321.293 -0.014 5 10 DBBE CN(CCNC(=O)Cc1cscn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737731127 MDTPLPKYKXBIQX-NXEZZACHSA-N 312.351 -0.075 5 10 DBBE CC(=O)N1CCN(CC(=O)N(C)c2n[nH]cc2[N+](=O)[O-])CC1 1852613786 JCMBQAXCJYLOIP-UHFFFAOYSA-N 310.314 -0.555 5 10 DBBE O=C(O)CC[C@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)C(O)O 1866091228 TZXUKXFOUKDIBR-ZETCQYMHSA-N 314.250 -0.426 5 10 DBBE O=C(N[C@H]1CS(=O)(=O)C[C@H]1O)c1cc([N+](=O)[O-])cs1 2121335100 XEEAOWMIUFUEPI-NKWVEPMBSA-N 306.321 -0.456 5 10 DBBE NC(=O)[C@@H]1CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2145612647 GGJINRUAFMAUEB-VIFPVBQESA-N 303.271 -0.018 5 10 DBBE CC(C)n1ncc([N+](=O)[O-])c1O[C@@H]1CS(=O)(=O)C[C@H]1N 2240592519 JWOAPYPCWZFMRZ-VXNVDRBHSA-N 304.328 -0.125 5 10 DBBE N[C@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)O 2286022933 VMINBBPBOQALHO-SSDOTTSWSA-N 307.259 -0.113 5 10 DBBE O=[N+]([O-])c1ccccc1S[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O 15206456 SZAOZNVCHHBUDZ-CFVLRQLYSA-N 317.319 -0.513 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2COCCO2)c1 50662531 NFIODIDIYIUDKI-SECBINFHSA-N 317.323 -0.129 5 10 DBBE O=C(O)C[C@@H]1CS(=O)(=O)CCN1c1ncc([N+](=O)[O-])cn1 126027625 DZDRZFZGLVUFQT-SSDOTTSWSA-N 316.295 -0.537 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCN(c2nccn(C)c2=O)CC1 360522503 SUSHDRTXVKKGCA-UHFFFAOYSA-N 319.325 -0.251 5 10 DBBE CN(C)S(=O)(=O)N1CC(Nc2cccnc2[N+](=O)[O-])C1 599181440 BEQSWROLQDQDPW-UHFFFAOYSA-N 301.328 -0.108 5 10 DBBE COC[C@](C)(CO)NS(=O)(=O)c1cncc([N+](=O)[O-])c1 716855175 MBNXULQXGUJSBP-JTQLQIEISA-N 305.312 -0.335 5 10 DBBE C[C@@H](O)[C@H](O)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722282881 QZSNNKNBEKOLJX-LHLIQPBNSA-N 305.312 -0.803 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CCNS(C)(=O)=O)n1 1145042265 AMKUDWZTUMCMHX-UHFFFAOYSA-N 316.339 -0.081 5 10 DBBE CN(CCNC(=O)c1cn(C)cn1)Cc1c([N+](=O)[O-])ncn1C 1267193036 WYRLLGDGLAUDIV-UHFFFAOYSA-N 321.341 -0.076 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(N2CCCS2(=O)=O)CC1 1275816531 YOWAHDITWKKUSR-GHMZBOCLSA-N 317.367 -0.322 5 10 DBBE COC(=O)[C@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCO1 1292910802 OQMCMLBAGOQZLX-RXMQYKEDSA-N 318.673 -0.015 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCOCC1 1357489247 WNQSCYWWVZUPEY-NUYITTKVSA-N 311.338 -0.133 5 10 DBBE COCC1(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1536435552 WYXKZPFOCPMNCL-GHMZBOCLSA-N 311.338 -0.253 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCS(=O)(=O)CC1 1540827039 QCGJXOVUULZWLA-UHFFFAOYSA-N 302.312 -0.515 5 10 DBBE Cn1nncc1C1(O)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 1558091077 CYCZDXVPKOLNJE-UHFFFAOYSA-N 319.277 -0.228 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)Cn2ccnn2)c1 1637559952 NJNVWESXPZWAJP-SECBINFHSA-N 321.293 -0.014 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)Cc1ccccc1[N+](=O)[O-] 1639793380 LBTMPQXGGHBVIM-JTQLQIEISA-N 316.335 -0.341 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2CCCC(=O)N2)nc1[N+](=O)[O-] 2156821055 PJTQWJJMZBSPDA-LURJTMIESA-N 303.300 -0.893 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@@H]1CCCN1C 2156821979 XEVHUUJHTANHAB-QMMMGPOBSA-N 303.344 -0.159 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CS(=O)(=O)C[C@H]1O 2177813039 NFVZUERWPPAZSC-HTQZYQBOSA-N 304.328 -0.311 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@H]2CS(=O)(=O)C[C@H]2O)c1[N+](=O)[O-] 2177956695 UTDXJVOAEHWMRJ-NTSWFWBYSA-N 322.730 -0.662 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC(CO)CO 2179743449 PRYBJNWNNGRWLX-UHFFFAOYSA-N 304.324 -0.385 5 10 DBBE O=C(O)[C@H]1CN(c2cccnc2[N+](=O)[O-])CCS1(=O)=O 2197721925 MFURCHODKLKCKZ-MRVPVSSYSA-N 301.280 -0.322 5 10 DBBE O=C(Nc1cc(Cl)ncc1[N+](=O)[O-])[C@@H]1NC[C@@H](O)[C@H]1O 2201161280 KCAZINHNSWMHIH-FTLITQJKSA-N 302.674 -0.725 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1N=c1ccc(N)c([N+](=O)[O-])[nH]1 2207470270 LDEVFZVVJNXVAP-YUMQZZPRSA-N 302.312 -0.782 5 10 DBBE CNS(=O)(=O)c1ccc(SC[C@@H](O)CO)c([N+](=O)[O-])c1 93958210 VXJMWJQYMHKCSQ-ZETCQYMHSA-N 322.364 -0.052 5 10 DBBE NNc1cc(S(=O)(=O)NCCC(N)=O)ccc1[N+](=O)[O-] 131301006 UUDWNMBDDWYJNZ-UHFFFAOYSA-N 303.300 -0.966 5 10 DBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC1(CO)CC1 362967184 OYCFYJGRLQSVGN-UHFFFAOYSA-N 319.273 -0.168 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2(O)CCC2)n1 599303634 OHWYPRLQFDWOGA-UHFFFAOYSA-N 304.328 -0.088 5 10 DBBE COC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599327251 RUTMAUSCESYFAG-KNVOCYPGSA-N 318.311 -0.442 5 10 DBBE CCOC(=O)C[C@H](O)COC(=O)c1nn(C)cc1[N+](=O)[O-] 859620979 GCQBEJJPHFEKTP-ZETCQYMHSA-N 301.255 -0.201 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 1116419593 BMWQNSODRQKJIE-VHSXEESVSA-N 309.326 -0.079 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C)[C@@H](CO)C2)n1 1163882566 YAWBXIGVJRLYMS-SECBINFHSA-N 310.310 -0.111 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC2CC(N3CCOCC3)C2)n1 1329047155 WIKNFZYYOXBESC-UHFFFAOYSA-N 309.326 -0.079 5 10 DBBE C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334932747 DVYZIDUIFGEBTD-SFYZADRCSA-N 303.344 -0.171 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN([S@](C)(=N)=O)CC1 1471729980 XJGFUHRVDAGAEB-NRFANRHFSA-N 316.343 -0.322 5 10 DBBE CN(CCOCCNC(=O)C(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1487573923 VDPWIKRWBVPINT-HTQZYQBOSA-N 309.269 -0.492 5 10 DBBE O=C(NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(F)F 1524055551 DQGWAKAUWHOTCF-RKDXNWHRSA-N 320.296 -0.823 5 10 DBBE O=C(NC1(CCO)CN(C(=O)c2cnco2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1571883398 IYHWPOOTGOLRLP-RKDXNWHRSA-N 324.293 -0.967 5 10 DBBE CCN1C(=O)[C@@H]2CN(Cc3cn(C)nc3[N+](=O)[O-])CCN2C1=O 1652669997 WCWSHXPAKUHANE-JTQLQIEISA-N 322.325 -0.203 5 10 DBBE O=C(Nc1ncccc1[N+](=O)[O-])c1cnc2[nH]ncn2c1=O 1866225055 RWUMJWCBFHNTEB-UHFFFAOYSA-N 301.222 -0.027 5 10 DBBE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC([N+](=O)[O-])C1 1899898931 FCRYGDCDZBIXKF-APPZFPTMSA-N 303.315 -0.252 5 10 DBBE COc1ncnc(NC2[C@@H]3CS(=O)(=O)C[C@@H]23)c1[N+](=O)[O-] 2174673328 QMSBKDHFSOUXLI-PHDIDXHHSA-N 300.296 -0.152 5 10 DBBE COC[C@@H](O)CN(C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 42526655 NBNARDYDLXOXRN-QMMMGPOBSA-N 319.339 -0.195 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50654716 YURBQWDMWVBLDG-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE COCCN(C)CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 61378325 UKTAXQUYZJESEN-LBPRGKRZSA-N 301.347 -0.680 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](O)C1 61712734 WUCFVERILQMFBZ-MRVPVSSYSA-N 302.312 -0.364 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)c([N+](=O)[O-])c1 111024858 GVWPTUKAGCXVAN-MRVPVSSYSA-N 314.323 -0.266 5 10 DBBE CS(=O)(=O)[C@H]1CSCCN1c1nc(N)ncc1[N+](=O)[O-] 235042404 XBPLISIZYAECAL-ZETCQYMHSA-N 319.368 -0.109 5 10 DBBE CN(C[C@H]1CCS(=O)(=O)C1)c1ncc([N+](=O)[O-])c(N)n1 354320028 YUKVIFKYFFCKAS-SSDOTTSWSA-N 301.328 -0.162 5 10 DBBE CCn1cc(S(=O)(=O)N2CN(C)C(=O)[C@@H]2C)c([N+](=O)[O-])n1 592107544 DVDYDECHNFOZTD-ZETCQYMHSA-N 317.327 -0.380 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3NCC[C@H]3C2)n1 599108602 OREZKVWXWABPDI-DTWKUNHWSA-N 315.355 -0.299 5 10 DBBE C[C@@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)N1CCNCC1=O 863670135 JYMAGZQSMNVWCI-ZETCQYMHSA-N 321.297 -0.129 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)CC(F)(F)F)n1 1116515767 QSBQPKDXPNPGKF-UHFFFAOYSA-N 316.217 -0.050 5 10 DBBE Cn1oc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O 1358661100 CIUNBSGPKVMLMM-HTQZYQBOSA-N 324.293 -0.978 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1Cc2cnccc2NC1=O 1471654553 WVBGGGSAABRUQO-JTQLQIEISA-N 316.277 -0.134 5 10 DBBE O=C1C[C@@H](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CN1 1625643523 OHIIDHHIKSRMLL-SECBINFHSA-N 308.294 -0.601 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1nc[nH]n1 1720603561 XMVBHBQQXUFDIV-NXEZZACHSA-N 324.341 -0.633 5 10 DBBE NS(=O)(=O)NCCNc1nc2sccn2c1[N+](=O)[O-] 2101334775 OUDGBQXNTWAWEC-UHFFFAOYSA-N 306.329 -0.491 5 10 DBBE CO[C@H]1C[C@H]1NS(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 2188217832 CJTPMCKASULNDY-APPZFPTMSA-N 302.312 -0.054 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCO1 2189563750 OLYOAUNRWIWOQA-QMMMGPOBSA-N 302.312 -0.052 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1ncnc(Cl)c1[N+](=O)[O-] 2192679461 UXBDPZMSTWNINX-PHDIDXHHSA-N 321.746 -0.165 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCNC2=O)c1 50661732 YSIVXZOAULTKFG-QMMMGPOBSA-N 314.323 -0.266 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 131315416 HPCIAUBFRVSTCJ-UHFFFAOYSA-N 317.327 -0.705 5 10 DBBE O=C([C@H]1COCCN1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 238011197 YGPWNBFDMHSMAT-ZYHUDNBSSA-N 321.337 -0.009 5 10 DBBE CO[C@@H]1C[C@@H](C(=O)O)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 262102771 FOYGVYAFDUYHFG-ZJUUUORDSA-N 312.282 -0.118 5 10 DBBE CCn1cc(S(=O)(=O)NCCOCCCO)c([N+](=O)[O-])n1 352345667 NVVVPRRJRPHKES-UHFFFAOYSA-N 322.343 -0.512 5 10 DBBE C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)S(N)(=O)=O 355672079 XPEZVUSLKRKVCW-QMMMGPOBSA-N 301.324 -0.070 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)n1 357915218 SUMGWZLRGMILDX-UHFFFAOYSA-N 324.341 -0.650 5 10 DBBE CN1CC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O 425470250 HAPIAAFWSDTWPZ-JTQLQIEISA-N 324.341 -0.041 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CC(CN2CCOCC2)C1 590558427 OOIAPLPEGDUTJF-UHFFFAOYSA-N 309.326 -0.418 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 594745079 VSKUJEWDXMIVJH-SSDOTTSWSA-N 321.336 -0.545 5 10 DBBE COc1cc(C(=O)N2CC(O)(CO)C2)c([N+](=O)[O-])cc1F 597703391 UVDQBSBCIMMMHE-UHFFFAOYSA-N 300.242 -0.078 5 10 DBBE CC[S@](=O)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 733883311 ZFVKHHCHLUGSEW-FQEVSTJZSA-N 301.324 -0.359 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2ccccn2)n1 780380440 CWRJKAUGCNBXDG-UHFFFAOYSA-N 311.279 -0.158 5 10 DBBE Cc1nn(C)c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 1182303664 ZZJJIIKTMBBGTE-QMMMGPOBSA-N 316.339 -0.199 5 10 DBBE O=C(Cn1ccnc1)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1286426872 MEOWHZCASGBUMS-DDHJBXDOSA-N 321.337 -0.441 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)NN1C(=O)[C@H](C)N(C)C1=O 1301130924 APBNJZKRBMAMJX-ZETCQYMHSA-N 324.297 -0.196 5 10 DBBE C[C@@H](O)[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 1331349485 GHAGOTFIULAETR-APPZFPTMSA-N 320.327 -0.901 5 10 DBBE O=[N+]([O-])c1c[nH]ccc1=NCC1(O)CCS(=O)(=O)CC1 1346833850 OBGHEZKLJYIHCX-UHFFFAOYSA-N 301.324 -0.237 5 10 DBBE CN1CCC(N(CCO)C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1452534858 UWXLTXNCFZYQCC-UHFFFAOYSA-N 311.342 -0.143 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 1468245238 SHSJSAVGZIXFBU-AOOOYVTPSA-N 304.262 -0.357 5 10 DBBE NC(=O)N1CC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 1628319719 KCQZLWVUVVQPIM-GXSJLCMTSA-N 308.294 -0.103 5 10 DBBE O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1)c1cc([N+](=O)[O-])c[nH]1 1636389313 BYCIVVLHGIEHML-ZYUZMQFOSA-N 318.245 -0.494 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2[C@H]1CCCN2CCO 1646490343 YYHIIGDZCBSIAK-GHMZBOCLSA-N 309.326 -0.011 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)C1CC1 1715519896 YAXZBYGBYLSJFU-VXGBXAGGSA-N 312.370 -0.337 5 10 DBBE CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1758702014 KYADOSFDSURKFQ-WRWGMCAJSA-N 312.370 -0.243 5 10 DBBE CNc1ncnc(NC2CN(S(C)(=O)=O)C2)c1[N+](=O)[O-] 2145423752 NIALFONDBDUAGP-UHFFFAOYSA-N 302.316 -0.518 5 10 DBBE NCC1(O)CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 2154725614 AVHHZTNRIRCHGJ-UHFFFAOYSA-N 305.287 -0.572 5 10 DBBE CN1CCCC[C@H]1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156821897 WFWQPJHRTGJTDZ-QMMMGPOBSA-N 303.344 -0.077 5 10 DBBE CN=c1[nH]c(N[C@@H]2CS(=O)(=O)C[C@@H]2C)ncc1[N+](=O)[O-] 2157679871 GUVSBDVRZGTXIE-NKWVEPMBSA-N 301.328 -0.307 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CC(O)(CO)C2)ccc1F 2171960950 WQRKGYBLPBCOLP-UHFFFAOYSA-N 306.271 -0.538 5 10 DBBE N[C@H]1CS(=O)(=O)C[C@H]1Oc1nc2sccn2c1[N+](=O)[O-] 2177957647 AWPUMVQYLRHBOG-NTSWFWBYSA-N 318.336 -0.193 5 10 DBBE CS(=O)(=O)C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)O 2360530945 MIJTXVYZNGLTSU-LURJTMIESA-N 322.320 -0.116 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc[nH]n1 80644950 VEZYTYWZVWNYSJ-UHFFFAOYSA-N 313.299 -0.523 5 10 DBBE Cc1ccc(S(=O)(=O)NC(C)(CO)CO)cc1[N+](=O)[O-] 126249834 CAMNTDARDBGUPM-UHFFFAOYSA-N 304.324 -0.075 5 10 DBBE COc1c([N+](=O)[O-])cc(-n2ncc(=O)n(C)c2=O)cc1[N+](=O)[O-] 248035349 MORZUVQSLDGUQV-UHFFFAOYSA-N 323.221 -0.244 5 10 DBBE O=C(N=c1cc[nH]cc1[N+](=O)[O-])N1CCN2CCOC[C@@H]2C1 376884308 XLOKZDAJXISZOY-JTQLQIEISA-N 307.310 -0.040 5 10 DBBE Nc1nccc(C(=O)NC[C@@H]2CCCCN2CCO)c1[N+](=O)[O-] 563406401 CUUVBUFPURSETB-JTQLQIEISA-N 323.353 0.149 5 10 DBBE Nc1nccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] 594385514 GGQHEBWTWGIDJL-DTWKUNHWSA-N 307.310 -0.537 5 10 DBBE C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594781189 OCEGXNLSLDOSHL-CBAPKCEASA-N 314.323 -0.207 5 10 DBBE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCNC1=O 597854462 GUMRZDZIMLQHKB-BDAKNGLRSA-N 324.341 -0.168 5 10 DBBE Cn1nnnc1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 611313546 PTSYYRJPTYNEHV-UHFFFAOYSA-N 308.302 -0.591 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)cs1 768845193 DUCYJCDAGSJAMG-KNVOCYPGSA-N 308.337 -0.228 5 10 DBBE O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1127448926 OBUHMQSGKKAFSY-BFLSOPEQSA-N 318.351 -0.496 5 10 DBBE CS(=O)(=O)[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 1148723077 VAPDRHVJJBARNW-ZETCQYMHSA-N 314.323 -0.288 5 10 DBBE CNC(=O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 1156194615 OBDSKPFAQACPIX-UHFFFAOYSA-N 321.337 -0.116 5 10 DBBE CN1C[C@@H]2[C@H](CCN2C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1261246877 DDNONFAHTQXHFU-GHMZBOCLSA-N 306.322 -0.081 5 10 DBBE CCN1C(=O)[C@@H]2CN(c3nn(C)cc3[N+](=O)[O-])CCN2C1=O 1306990139 IIIVFQVHXWBJBF-VIFPVBQESA-N 308.298 -0.199 5 10 DBBE Cn1cc(CN2CCO[C@H](CS(C)(=O)=O)C2)c([N+](=O)[O-])n1 1473842050 SJYMBFXXIPXZFM-JTQLQIEISA-N 318.355 -0.426 5 10 DBBE CN(CCN(C)C(=O)c1cnn[nH]1)Cc1c([N+](=O)[O-])ncn1C 1496735103 NQWQOUINCPZMBH-UHFFFAOYSA-N 322.329 -0.350 5 10 DBBE CCN(CCNC(=O)CCN(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1529079350 LAZCESUGVBZLOO-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE Cc1c(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cnn1C 1535125213 ZZJFMMAOKLLGSK-MWLCHTKSSA-N 321.337 -0.228 5 10 DBBE Cc1cnc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 1672076154 HMBCWEHTJMOFQX-VXGBXAGGSA-N 321.337 -0.887 5 10 DBBE O=[N+]([O-])c1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2O)cc1F 2177840429 WHHYTQMVGBWEOF-GXSJLCMTSA-N 304.299 -0.019 5 10 DBBE O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1NC[C@@H](O)[C@H]1O 2201148237 FSHRUCMRZSCBFM-OPRDCNLKSA-N 301.686 -0.120 5 10 DBBE CS(=O)(=O)N1CC[C@H](CN=c2[nH]cncc2[N+](=O)[O-])C1 2235291111 POBYIURWOZLSII-MRVPVSSYSA-N 301.328 -0.500 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(OC2(CN)CS(=O)(=O)C2)n1 2283037054 AERYMRICSRLJCN-UHFFFAOYSA-N 304.328 -0.123 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=NC[C@H]2CCS2(=O)=O)[nH]1 2286635858 HFOVGGVQFYUTFG-SSDOTTSWSA-N 302.312 -0.448 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)CC1 62102146 YLPOHQICZYFEKV-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE NC(=O)CN(CC(N)=O)C(=O)c1ccnc(Cl)c1[N+](=O)[O-] 85684979 UHSQZPZQCRKUSN-UHFFFAOYSA-N 315.673 -0.944 5 10 DBBE CNC(=O)[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)C 178854300 NNEFVHRSNOWJCO-GFCCVEGCSA-N 310.310 -0.357 5 10 DBBE O=C(NC1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C1CCC1 185935215 FEJNBBACYBNOBG-CYBMUJFWSA-N 323.353 -0.247 5 10 DBBE CCn1cc(S(=O)(=O)N[C@H](CF)C(=O)OC)c([N+](=O)[O-])n1 344961149 VYEXYGNVZHRTMR-ZCFIWIBFSA-N 324.290 -0.399 5 10 DBBE O=[N+]([O-])c1c(Cl)nc[nH]c1=NCCN1CCCS1(=O)=O 405941432 MBLAHBKLPLXTJG-UHFFFAOYSA-N 321.746 -0.093 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)N1C[C@H]2COC[C@@H](C1)O2 584541954 BKRLOQSPEFOOMD-DTORHVGOSA-N 315.307 -0.222 5 10 DBBE C[C@@](O)(CO)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722261882 HRDBVQKPYGSTKN-JTQLQIEISA-N 305.312 -0.801 5 10 DBBE CC(C)N1CCO[C@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 802140243 MHUFJKFHWAPHBM-JTQLQIEISA-N 313.314 -0.161 5 10 DBBE NS(=O)(=O)c1ccc(N2CCNC(=O)CC2)cc1[N+](=O)[O-] 1118586761 SSOJUVMEXAIHOU-UHFFFAOYSA-N 314.323 -0.432 5 10 DBBE O=C1NCCO[C@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]12 1152824116 WMYZJAXQISIAPW-JQWIXIFHSA-N 323.309 -0.703 5 10 DBBE CCOCC(=O)NCC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1567823051 XEXDHVXUIFOTEZ-UHFFFAOYSA-N 311.342 -0.087 5 10 DBBE O=C1NCCC12CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 1644395765 XGQWVDDVYJUXFT-LBPRGKRZSA-N 323.353 -0.246 5 10 DBBE C/C=C(\C)C(=O)N1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1737336915 GPKJLMCDYRWYFX-ZIAWVFJWSA-N 324.381 -0.122 5 10 DBBE CS(=O)(=O)c1cccc(OCCNCCN)c1[N+](=O)[O-] 1923456482 SXANFPRJNBOVSL-UHFFFAOYSA-N 303.340 -0.075 5 10 DBBE COC1(CO)CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2157307245 GEVIWRRZSDQQKB-UHFFFAOYSA-N 303.296 -0.628 5 10 DBBE C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN)C(N)=O 35796746 VNLIZPARIFEBGH-YFKPBYRVSA-N 303.300 -0.968 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50674398 UBGLEBISBQZTPR-ZCFIWIBFSA-N 302.312 -0.410 5 10 DBBE O=C(O)[C@H](O)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 126509834 LJIDMYNWPPPCCX-ZCFIWIBFSA-N 308.243 -0.542 5 10 DBBE C[C@]1(F)CNCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 578193985 DRRWRLAIFUGFJH-ZDUSSCGKSA-N 312.301 -0.084 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H](O)[C@@H]1CCCO1 600239630 UBAXDHIEOQYUMN-QWRGUYRKSA-N 311.294 -0.587 5 10 DBBE CN(C)c1nccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)n1 1116476347 WILNDHGJMLCGKT-UHFFFAOYSA-N 306.286 -0.641 5 10 DBBE Cn1[nH]c([C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)nc1=N 1321293235 VSUJMXZAWPFAFN-VIFPVBQESA-N 320.313 -0.304 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCCN(CC(N)=O)CC2)n1 1464933626 QQDJKQNUANKQBV-UHFFFAOYSA-N 324.341 -0.556 5 10 DBBE CNC(=O)NCCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 1469303019 IRONOHPYLNTEKB-UHFFFAOYSA-N 312.330 -0.157 5 10 DBBE O=C1OC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@H]12 1587520146 NFVKQPIKHYWDRL-WPRPVWTQSA-N 307.262 -0.612 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nc[nH]n1 1737258577 GDECDVXIUMWWDB-RKDXNWHRSA-N 310.314 -0.562 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 1914993840 HESHFYZKKXGEDB-UHFFFAOYSA-N 301.280 -0.587 5 10 DBBE C[C@H]1NC[C@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 2011378260 DQTNHAWKZZTJIR-NFNCENRGSA-N 306.076 -0.280 5 10 DBBE CS(=O)(=O)[C@H]1CC[C@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])C1 2145389606 DZYLJJVXMOKCLM-BQBZGAKWSA-N 301.328 -0.403 5 10 DBBE CS(=O)(=O)c1ccc(C2(N)CS(=O)(=O)C2)c([N+](=O)[O-])c1 2146086117 CBWFAYJYEJYYLF-UHFFFAOYSA-N 320.348 -0.419 5 10 DBBE N[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2149986003 FBOZZEKJWYAKAE-SFYZADRCSA-N 305.287 -0.262 5 10 DBBE O=C(O)c1cc(=NC[C@H]2CCS2(=O)=O)[nH]cc1[N+](=O)[O-] 2150724094 JGXUFSLXWWVXKG-ZCFIWIBFSA-N 301.280 -0.291 5 10 DBBE NS(=O)(=O)NCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 2157537839 UAEXLHOAKQBOGZ-UHFFFAOYSA-N 302.312 -0.953 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H](O)C2)cc1 2161390970 LSBSLMCSQRULNG-UWVGGRQHSA-N 302.308 -0.289 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(c2nccc(N)c2[N+](=O)[O-])C1 2170580723 CZPRNWSQJQOITN-ZETCQYMHSA-N 301.328 -0.300 5 10 DBBE O=C(O)[C@]1(Nc2ncc([N+](=O)[O-])cn2)CCS(=O)(=O)C1 2172194506 ZZDNZXCYSRKSJG-VIFPVBQESA-N 302.268 -0.561 5 10 DBBE C[C@H](O)[C@@H](N)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 80748817 QKNRRCYOZZUMBG-RCOVLWMOSA-N 307.303 -0.280 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCNC(=O)C1 87887099 GSLOJWQEGOYSPS-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CNC(=O)C1 358881850 DEFIKXGYZSDRLJ-ZETCQYMHSA-N 315.307 -0.230 5 10 DBBE Cc1cc(OCC(=O)N2CC[C@@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 367758678 WTSPNYXZANJHGE-AWEZNQCLSA-N 323.305 -0.269 5 10 DBBE C[C@@H](O)[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 717413492 DCXZZQABCCMFOD-MUWHJKNJSA-N 308.287 -0.246 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2ccnn2C)n1 859107514 CVUFUFJUNQGVFD-UHFFFAOYSA-N 314.327 -0.417 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@@H](O)[C@H](CO)C1 1299450144 KMPUWTNXOUJAQW-NTSWFWBYSA-N 304.690 -0.213 5 10 DBBE CONC(=O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 1616311405 OCDKHVFAGNCOMT-UHFFFAOYSA-N 311.250 -0.227 5 10 DBBE COc1cc([N+](=O)[O-])cnc1NC(=O)CN(C)S(C)(=O)=O 1624944258 VSSGMFSBGZKNRV-UHFFFAOYSA-N 318.311 -0.172 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCS(=O)(=O)C1 1625184749 HOSBKFHMHJBGOY-VIFPVBQESA-N 316.339 -0.349 5 10 DBBE C[C@H]1CO[C@@H](CO)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1630519990 NYANQQYBESNRPP-VHSXEESVSA-N 311.294 -0.635 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN2CCOC[C@]2(CO)C1 1645355787 TXIGMGUXMSTJPK-CQSZACIVSA-N 324.337 -0.548 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](CO)c1cncn1C 1647841265 UURSJQFMNPMVDC-SECBINFHSA-N 308.298 -0.317 5 10 DBBE Cn1nccc1CCC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1686588896 BOAPCMVNYVIAKW-GHMZBOCLSA-N 309.326 -0.750 5 10 DBBE CN(CCNC(=O)c1cc[nH]n1)Cc1c([N+](=O)[O-])ncn1C 1690925110 IMONUSYMVGNZJJ-UHFFFAOYSA-N 307.314 -0.087 5 10 DBBE CN(C)CCCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1739401856 GMODVPWPGZJDHE-VXGBXAGGSA-N 312.370 -0.337 5 10 DBBE O=C(O)[C@]1(n2nc([N+](=O)[O-])nc2Br)CCNC1 1941358193 CGTZORZZDFRCMC-ZETCQYMHSA-N 306.076 -0.278 5 10 DBBE O=[N+]([O-])c1nc(Br)n(CC2=NO[C@H]3CNC[C@@H]23)n1 2068452950 NGWOPVCJZBEWLQ-NJGYIYPDSA-N 317.103 -0.077 5 10 DBBE Cn1cc([N+](=O)[O-])c(CS(=O)(=O)CC[S@@](C)(=N)=O)n1 2102876179 WMJZHAPTWIWCHI-SFHVURJKSA-N 310.357 -0.080 5 10 DBBE CNc1ncnc(N(C)CCS(=O)(=O)NC)c1[N+](=O)[O-] 2151038779 LFQWDMRFBIFDRK-UHFFFAOYSA-N 304.332 -0.588 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC([C@H](F)CO)C2)c1 2166893592 CNROSDRXQPOHKI-SNVBAGLBSA-N 305.287 -0.059 5 10 DBBE Cc1nc[nH]c1S(=O)(=O)NCc1nn(C)cc1[N+](=O)[O-] 2240635610 ITYJPLLRQWVHHQ-UHFFFAOYSA-N 300.300 -0.162 5 10 DBBE CNC(=O)CNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F 50654711 XYLZBUORXMRDIL-UHFFFAOYSA-N 306.275 -0.660 5 10 DBBE NC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 165880342 LQXYCASJLKCAPT-MRVPVSSYSA-N 316.339 -0.594 5 10 DBBE C[C@H](O)C(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 301957634 LGYCPVSPRIBEIL-VIFPVBQESA-N 320.309 -0.333 5 10 DBBE COC[C@@H](C(N)=O)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 354555129 RWWRNXCBAPVJTG-NSHDSACASA-N 311.294 -0.068 5 10 DBBE C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599293581 ZZNRTEDIBJMAIA-XVKPBYJWSA-N 320.327 -0.854 5 10 DBBE N[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCOC1 688510754 AHARDTHPMJRKOF-SNVBAGLBSA-N 302.312 -0.614 5 10 DBBE COC[C@@]1(CN(C)C)COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 876474846 ILRADJIYNLNWGQ-WZRBSPASSA-N 301.343 -0.543 5 10 DBBE CCN(CCNC(=O)c1nnn(C)c1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296281874 HSWSKTVXVUIQQS-NXEZZACHSA-N 324.341 -0.633 5 10 DBBE Cc1ccnc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1357773375 DLIOQOSPXZNVPD-LVUHIJSRSA-N 319.321 -0.148 5 10 DBBE Cn1cc(C[C@H](CO)NC(=O)Cn2cc([N+](=O)[O-])cn2)cn1 1451794784 IHKFRKPMGFPSKG-SNVBAGLBSA-N 308.298 -0.755 5 10 DBBE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 1451816169 YXACSDIGSRMOMF-VIFPVBQESA-N 324.293 -0.183 5 10 DBBE O=C1NCCO[C@@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]12 1455088599 AKFPYNAODZWCSZ-PSASIEDQSA-N 309.282 -0.563 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCS(=O)(=O)CCO1 1472397317 IXDLNEWJRGCPEK-UHFFFAOYSA-N 324.702 -0.227 5 10 DBBE O=C(COCC1CC1)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1526128966 GTNNVGUYYBDZAZ-DIACKHNESA-N 323.349 -0.349 5 10 DBBE N=c1[nH]cc([N+](=O)[O-])c(=NC[C@@H]2CCCS(=O)(=O)C2)[nH]1 2146110841 HGKCRFKZHPTZCP-ZETCQYMHSA-N 301.328 -0.544 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H](CO)CCCO)c1 2146565281 SYCMFQDALIXWOF-MRVPVSSYSA-N 305.312 -0.599 5 10 DBBE Cn1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)n1 2146943084 IASZEQOGPURTGI-UHFFFAOYSA-N 319.328 -0.129 5 10 DBBE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ncc([N+](=O)[O-])c(=N)[nH]1 2170260632 LEASSMJIAXMZNQ-BQBZGAKWSA-N 301.328 -0.191 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@H](O)C2)cc1 2188679238 JKXHFRHDCDUSRW-GHMZBOCLSA-N 302.308 -0.289 5 10 DBBE COc1nccc(N[C@H]2CS(=O)(=O)C[C@H]2O)c1[N+](=O)[O-] 2288671273 ZWYMUKSGHYBHLK-JGVFFNPUSA-N 303.296 -0.432 5 10 DBBE CN(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N)S(C)(=O)=O 2365257296 BAJFRPKWMGTVOX-UHFFFAOYSA-N 324.340 -0.738 5 10 DBBE NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 65269188 YTFVAZGEJQYZSM-LURJTMIESA-N 321.336 -0.469 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] 323302181 OEGQXANULMOOMX-XINAWCOVSA-N 309.325 -0.724 5 10 DBBE N[C@@H](CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O 323553766 GYIIKAGYYYOWHB-ZETCQYMHSA-N 323.714 -0.062 5 10 DBBE O=c1nc(O)c([N+](=O)[O-])cn1CC[C@@H]1CCS(=O)(=O)C1 694132552 FUEKNBXRMFWCMO-SSDOTTSWSA-N 303.296 -0.318 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cn1)N1CCN2CCOC[C@]2(CO)C1 1156866618 KPLVMDANCYUXOA-CQSZACIVSA-N 322.321 -0.491 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1299144469 SPDHVCQZBGSGFD-UTINFBMNSA-N 304.324 -0.934 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ncc[nH]1 1317585862 NSVYAIGZJPPHMN-UHFFFAOYSA-N 307.314 -0.087 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(C2OCCO2)CC1 1322347961 BIWRHEZKDXMNIC-UHFFFAOYSA-N 311.298 -0.202 5 10 DBBE C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334955970 AZIFPULXBNKEEM-XJZHNMMOSA-N 324.384 -0.284 5 10 DBBE NC(=O)[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C(N)=O 1473642409 KAKNTYIEOPLJMJ-HTQZYQBOSA-N 310.285 -0.248 5 10 DBBE CCn1nc(C)c(CN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1565502447 UBWDQDSPBCEIDC-DGCLKSJQSA-N 322.369 -0.084 5 10 DBBE Cc1cc(C(=O)N2CC3(C2)NC(=O)NC3=O)cc([N+](=O)[O-])c1 1647981942 BLLJRNDJWUVQFB-UHFFFAOYSA-N 304.262 -0.063 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cncn1C 1703578623 NEEUQKANDDPVJA-NXEZZACHSA-N 309.326 -0.336 5 10 DBBE O=C(NCCCN(CC(=O)N1CCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1713036847 CIPVGRBTRQPNLG-CHWSQXEVSA-N 324.381 -0.145 5 10 DBBE Cc1oncc1CNCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1733615421 JRBUICUOMQMUMS-VXGBXAGGSA-N 312.326 -0.441 5 10 DBBE CC(=O)NCCNC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1 1859191374 SMXNBYSQYJDPIQ-UHFFFAOYSA-N 322.321 -0.033 5 10 DBBE NC(=O)[C@@H]1CCN1S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2145604362 NDPACIHTNKCWLL-ZETCQYMHSA-N 301.280 -0.451 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1COC[C@H]1N 2149985583 DQAIKSHVLXMKMI-NXEZZACHSA-N 301.324 -0.092 5 10 DBBE Nc1ccc(S(=O)(=O)N2CC(F)(CO)C2)c([N+](=O)[O-])c1 2172924392 GKNZDBBKBGZJAL-UHFFFAOYSA-N 305.287 -0.118 5 10 DBBE C[S@@](=O)(=Nc1cc([N+](=O)[O-])cc(=N)[nH]1)N1CCNCC1 2173925518 KOGLBKDZHITFGB-HXUWFJFHSA-N 300.344 -0.048 5 10 DBBE C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(=O)O 2176841991 MRPHGILBNVHSJK-RCOVLWMOSA-N 304.280 -0.293 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@H](O)CO)ccc1F 2182235341 SXBDQFNOWLBCBK-ZETCQYMHSA-N 308.287 -0.245 5 10 DBBE NC(=O)[C@@H](N)Cn1cc([N+](=O)[O-])cc(Br)c1=O 165351814 CDGUEKFGXGICGF-LURJTMIESA-N 305.088 -0.668 5 10 DBBE Cc1n[nH]c([C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 173541721 HBAFWIARNFIEDR-SNVBAGLBSA-N 321.297 -0.182 5 10 DBBE CN(C)CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 192633992 AEYSVJLZIYZBLR-UHFFFAOYSA-N 324.385 -0.067 5 10 DBBE Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CN1CCOCC1 619871144 XKNFHJPRCZPEEI-SNVBAGLBSA-N 324.337 -0.400 5 10 DBBE Nc1cc([N+](=O)[O-])cc(N2CCC[C@@H](S(N)(=O)=O)C2)n1 707384177 GWXZQOLUYJAOLT-MRVPVSSYSA-N 301.328 -0.171 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](O)[C@H]2CCCO2)c1 1118960478 XPTZNGUXARRXEO-GRYCIOLGSA-N 300.315 -0.718 5 10 DBBE CCO[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)CN(C)C 1133571570 HECMHTDDVXXXAI-VIFPVBQESA-N 300.319 -0.731 5 10 DBBE CN1C(=O)CN=C1NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 1454208837 FSBAOVJLEPNCKR-UHFFFAOYSA-N 316.277 -0.111 5 10 DBBE CN1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@H](CO)C1 1454220471 KWIFPOWJDQWEHB-LURJTMIESA-N 303.706 -0.280 5 10 DBBE O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)c1ccc([N+](=O)[O-])o1 1558063104 OWWWSMSGPANOCO-ZHYWTAKUSA-N 319.229 -0.229 5 10 DBBE CN(CCOCCNC(=O)C(C)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1572170675 RABPFHWGXCEVNV-RKDXNWHRSA-N 323.296 -0.102 5 10 DBBE COC(=O)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCOC1 1607762341 STDKYBRVRZDYKU-SFYZADRCSA-N 312.282 -0.127 5 10 DBBE C[C@]1(O)CON(S(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])C1 2149797950 XPWNGGBGEZNSMX-SNVBAGLBSA-N 303.296 -0.136 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1COC[C@@H]1N 2149988314 NJUBGIYHPQRDGG-IUCAKERBSA-N 301.324 -0.092 5 10 DBBE C[C@@H](CS(N)(=O)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2152959400 ZKFGLEYMZXUJAK-ZETCQYMHSA-N 323.352 -0.450 5 10 DBBE NC[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2154121598 ZLVJWBYNHFOMAK-KCJUWKMLSA-N 301.324 -0.153 5 10 DBBE CS(=O)(=O)C1CC(CN=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])C1 2192331908 XFZXZBWFFBEETP-UHFFFAOYSA-N 301.328 -0.546 5 10 DBBE O=C(O)[C@]1(Nc2ncncc2[N+](=O)[O-])CCS(=O)(=O)C1 2235272975 CJCGHFRMZLNRSM-VIFPVBQESA-N 302.268 -0.561 5 10 DBBE CCc1ncc([N+](=O)[O-])c(S(=O)(=O)CCS(N)(=O)=O)n1 2286730024 PYSGWCDQPWZUPV-UHFFFAOYSA-N 324.340 -0.991 5 10 DBBE Nc1sc(S(=O)(=O)N2CCO[C@H](CO)C2)cc1[N+](=O)[O-] 167880073 BUYWERZZQKGRSI-LURJTMIESA-N 323.352 -0.380 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC[C@H]2CO)cc1 168667856 PNOKDCFXELGALX-SNVBAGLBSA-N 302.308 -0.023 5 10 DBBE Cc1[nH]nc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-] 342390537 JGVZICPMFIAIMR-SSDOTTSWSA-N 317.327 -0.610 5 10 DBBE O=C1C[C@]2(CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CN1 408247249 NALDVVXLYVVIGJ-CYBMUJFWSA-N 307.310 -0.080 5 10 DBBE C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599261348 ONXXPZTWYDHFQQ-YUMQZZPRSA-N 320.327 -0.901 5 10 DBBE COC(=O)C[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 599461864 JAFOGFZVELFOFV-ZCFIWIBFSA-N 324.336 -0.141 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@@H]([C@H]2CCCO2)C1 610687327 CDBBZBWDFRYVDV-NXEZZACHSA-N 311.298 -0.407 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1nc(N)ccc1[N+](=O)[O-] 696997434 RQQDAGZWGJYOGP-SVRRBLITSA-N 302.312 -0.204 5 10 DBBE O=C(O)[C@@H]1C[C@@H]1CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 715244998 FCDLPBZSHWLXDZ-HZGVNTEJSA-N 301.280 -0.011 5 10 DBBE Cc1noc(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 1338193273 AQJFGIWLXPPRPZ-UHFFFAOYSA-N 307.266 -0.193 5 10 DBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@@H](O)[C@H](CO)C1 1642401837 PDZKOBYPAHTDQI-GXFFZTMASA-N 320.305 -0.244 5 10 DBBE NC(=O)CN(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1723648167 YZEVCEMKFVEOEZ-CHWSQXEVSA-N 324.381 -0.160 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnnn1C 1743456356 MHHPLCLEZLEFMX-RKDXNWHRSA-N 310.314 -0.941 5 10 DBBE CC(=O)CCCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1758742112 AMQJRKVZNLKEFT-DIACKHNESA-N 323.349 -0.016 5 10 DBBE N[C@H]1COC[C@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2149988420 QBEMYSFYKOTQCM-IONNQARKSA-N 302.312 -0.620 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1(CO)COC1 2189265166 WZQRMSWTOGALCG-UHFFFAOYSA-N 302.308 -0.225 5 10 DBBE O=C(NC1CC1)C(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC1 66809381 QZSXOSZDUUNHCI-UHFFFAOYSA-N 319.321 -0.083 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1nnn[nH]1 313653075 JQONICHEDLTWRP-UHFFFAOYSA-N 302.247 -0.275 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCCN2CC3)n1 597624806 LNIKDSFTBDYGAG-SNVBAGLBSA-N 308.342 -0.552 5 10 DBBE CCOC(=O)[C@H](COC)OC(=O)Cn1cc([N+](=O)[O-])cn1 766318012 JUBRBPCPLAKKTE-VIFPVBQESA-N 301.255 -0.087 5 10 DBBE C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C 1333734161 ATSDFRHERQDQQJ-NXEZZACHSA-N 310.358 -0.308 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(CCCO)C1 1624410837 QAGFYZDQPKPBPX-SNVBAGLBSA-N 311.342 -0.095 5 10 DBBE COC(=O)[C@@]12C[C@@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@H]1C2 1632300540 DHRZJGYCJJXQHZ-LWINAJNOSA-N 309.282 -0.356 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCCN1CCO 1641208976 KEKBWFFQPMAWBJ-JTQLQIEISA-N 311.342 -0.095 5 10 DBBE CS(=O)(=O)NC1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 1641632777 STMTZWLMKYZBGV-UHFFFAOYSA-N 314.323 -0.449 5 10 DBBE COC(=O)[C@@]1(O)CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 1643516990 ZEUDUTZLUVXTDP-BXUZGUMPSA-N 324.289 -0.235 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@H](O)CO)CC1 1653148266 KLFBAQQKAUASAL-VIFPVBQESA-N 315.351 -0.233 5 10 DBBE Cc1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 1705011982 COWMYDYIXPRAGJ-RXUHEVMZSA-N 319.321 -0.148 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]2CO)c1 2148957267 BHERRIZFMISRRZ-QMMMGPOBSA-N 302.312 -0.364 5 10 DBBE NC[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2154121600 ZLVJWBYNHFOMAK-LDYMZIIASA-N 301.324 -0.153 5 10 DBBE CN=c1[nH]c(=NC[C@@H]2CCCS2(=O)=O)[nH]cc1[N+](=O)[O-] 2157681760 HZWLBRAAORBPGC-ZETCQYMHSA-N 301.328 -0.741 5 10 DBBE Nc1cc(=NCCNS(=O)(=O)C(F)F)[nH]cc1[N+](=O)[O-] 2165866366 GEMITKJPOVTFSG-UHFFFAOYSA-N 311.270 -0.452 5 10 DBBE C[C@](O)(CO)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 90287433 MGRZHEIPUDRSJR-SNVBAGLBSA-N 308.287 -0.245 5 10 DBBE CCNC(=O)N1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 157916873 YCONXUNJFWCIFW-VIFPVBQESA-N 310.314 -0.289 5 10 DBBE O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)N2CCNCC2)c1 213409449 PTEKBOQZFXISHX-UHFFFAOYSA-N 302.312 -0.138 5 10 DBBE CNC(=O)CN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 301840119 OPFKISGTZIQCMV-UHFFFAOYSA-N 319.325 -0.495 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CCOC[C@@H]2CO)c1 312730506 JCUNTNWQDWJWKI-VIFPVBQESA-N 303.296 -0.628 5 10 DBBE C[C@](CO)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 313503433 CRPWYJHFHPXBSN-SNVBAGLBSA-N 304.280 -0.291 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCNC3)CC2)n1 564933242 DLRJTAKFSNHWGO-LLVKDONJSA-N 322.369 -0.069 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(C2CC2)C2COC2)n1 599315221 GIOUBJGDQFINBE-UHFFFAOYSA-N 302.312 -0.120 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@H](O)CO 698919495 ODRRWNOAAGEOEP-PSASIEDQSA-N 304.324 -0.077 5 10 DBBE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CNC[C@@H]2O)c1 699963181 RMVUNYVWTNDGNU-BDAKNGLRSA-N 321.742 -0.141 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] 707022876 QUBIUNJKURLUCC-IYSWYEEDSA-N 323.352 -0.333 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN([C@@H]2CCOC2)CC1 1118785174 ATWGXAODNOETDZ-SNVBAGLBSA-N 310.314 -0.881 5 10 DBBE O=C1NCC[C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]12 1558096012 FKXKBXFFFUNCBS-JOYOIKCWSA-N 307.310 -0.082 5 10 DBBE COc1cc([N+](=O)[O-])cn(CC(=O)NCCCN(C)C)c1=O 1641325367 IIHIFPWUUQOWQW-UHFFFAOYSA-N 312.326 -0.167 5 10 DBBE O=C(CNC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccon1 1699256952 IJFGIAWUEIWECO-UFLMBTITSA-N 323.309 -0.460 5 10 DBBE CN(CCCNC(=O)CCc1cnc[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1743529614 MOUPCHSRIIBSDP-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE CS(=O)(=O)CC[S@@](=O)CC(=O)c1cc([N+](=O)[O-])c[nH]1 2089656684 DGNMNDWJHVJDJZ-GOSISDBHSA-N 308.337 -0.101 5 10 DBBE N[C@@H]1COCC[C@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2148815725 HXSPSJDOTBKWFC-NXEZZACHSA-N 302.312 -0.616 5 10 DBBE COC[C@](O)(CO)CN=c1[nH]c(Cl)nc(C)c1[N+](=O)[O-] 2158610401 BPIWJIQCAQLCHN-SNVBAGLBSA-N 306.706 -0.450 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N[C@@]1(C(=O)O)CCS(=O)(=O)C1 2172194440 ZKDGWVHJAIRWAB-VIFPVBQESA-N 304.284 -0.618 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C[C@H]1N 2179201321 HQKZRAKSHWBQIE-RKDXNWHRSA-N 302.312 -0.664 5 10 DBBE C[C@](N)(CO)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2181130365 UTPRVPWXZSTIMG-SNVBAGLBSA-N 305.312 -0.712 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1 2192681434 UWDVKOBYMDXOIC-MWLCHTKSSA-N 300.340 -0.026 5 10 DBBE NNc1cc([N+](=O)[O-])cc(N2CC(CS(N)(=O)=O)C2)n1 2194436358 IVTNKHQLVSUAJI-UHFFFAOYSA-N 302.316 -1.000 5 10 DBBE CN1CCN(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 10017163 YQGJGXMKTNJEJK-UHFFFAOYSA-N 307.310 -0.188 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@H](O)CO)c([N+](=O)[O-])c1 90281217 UOOMMWUDXOLLQR-ZETCQYMHSA-N 306.296 -0.765 5 10 DBBE C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCCF 599300006 RUYILFALJFVJPF-ZCFIWIBFSA-N 323.306 -0.919 5 10 DBBE C[C@H](O)[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 717413495 DCXZZQABCCMFOD-RCOVLWMOSA-N 308.287 -0.246 5 10 DBBE Cn1cc(C[C@@H](CO)NC(=O)Cn2ccc([N+](=O)[O-])n2)cn1 1142581796 OPUFYSORHHWCAF-JTQLQIEISA-N 308.298 -0.755 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC(=O)CN1CCCCC(=O)C1=O 1436242864 XRHBAQQKABNEIX-UHFFFAOYSA-N 309.282 -0.152 5 10 DBBE C[C@@H](CN1CCOCC1)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 1458899068 VFFABJYYWAKVNY-JTQLQIEISA-N 324.337 -0.176 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NC1(CS(C)(=O)=O)COC1 1461460079 DOIFWACJTJIMEG-UHFFFAOYSA-N 317.323 -0.523 5 10 DBBE O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1539568130 WSOXXDVUVFWDNV-DJLDLDEBSA-N 314.323 -0.154 5 10 DBBE Cc1ncc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1C 1585126601 AVPYVMBAPUCKJJ-NXEZZACHSA-N 321.337 -0.228 5 10 DBBE O=C(CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CCCC1 1731476782 WGIYZCMKHLTWQT-YVECIDJPSA-N 324.381 -0.053 5 10 DBBE O=C1COCCN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2152202481 ZGQNDKCGMJIUHF-UHFFFAOYSA-N 301.280 -0.420 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1COC[C@H]1O 2154109613 TUAJCJDLXDHNNC-PSASIEDQSA-N 302.308 -0.120 5 10 DBBE CN1CCC[C@@H](n2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)C1=O 2157369423 NRSPJXKUZDDRSM-ZCFIWIBFSA-N 303.300 -0.768 5 10 DBBE CON(CC(=O)O)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2158366272 GHGBYRYHLHDMBL-UHFFFAOYSA-N 305.268 -0.305 5 10 DBBE CC1(NS(=O)(=O)c2cc(NN)ccc2[N+](=O)[O-])COC1 2189273498 XFDAMMDCKVRAEH-UHFFFAOYSA-N 302.312 -0.052 5 10 DBBE CS(=O)(=O)N1CC(CN=c2ccc([N+](=O)[O-])c(N)[nH]2)C1 2233044978 UVHBEKWIPZBNBG-UHFFFAOYSA-N 301.328 -0.703 5 10 DBBE CC(=O)N1C(=O)C2(OCC(CO)([N+](=O)[O-])CO2)c2ccccc21 16139077 KJRWCEFDUTVRNB-UHFFFAOYSA-N 322.273 -0.213 5 10 DBBE CNCc1cc([N+](=O)[O-])ccc1O[C@@H]1CS(=O)(=O)C[C@H]1O 37710082 ZLHCKHGSGBYUQX-ZYHUDNBSSA-N 316.335 -0.149 5 10 DBBE Cc1cc(NN)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](O)C1 94780340 CPPAWFCTIKLITP-QMMMGPOBSA-N 316.339 -0.056 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 167833403 QUFHLGYRXQPGRY-MRVPVSSYSA-N 316.339 -0.117 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cn(C)c(=O)n(C)c1=O 173088894 VWXIAFYRODCABL-UHFFFAOYSA-N 319.277 -0.052 5 10 DBBE CN(C(=O)CN1CC[C@@](O)(C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 276506492 YVUWLHSMIDXLNL-AWEZNQCLSA-N 322.321 -0.520 5 10 DBBE CN(C)C(=O)N(C)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 596517951 GTENVOMHELDJAI-MRVPVSSYSA-N 309.330 0.159 5 10 DBBE NS(=O)(=O)NC1CCN(c2ccncc2[N+](=O)[O-])CC1 599176300 SFIKMONVMDOQAP-UHFFFAOYSA-N 301.328 -0.248 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1O)C(=O)O 691676726 BROMWHIOCRAZGH-LURJTMIESA-N 305.268 -0.546 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1n1cc([N+](=O)[O-])c(C(=O)O)n1 696825880 ZHRCLPJJLSMRJD-BQBZGAKWSA-N 305.268 -0.526 5 10 DBBE O=[N+]([O-])c1ccc(N2CCS(=O)(=O)C[C@H]2CCO)cn1 1187678109 VNCJWHNYLYPUTP-SNVBAGLBSA-N 301.324 -0.024 5 10 DBBE CN(CC(=O)N1CC[C@@H](O)[C@@H](O)C1)c1ccccc1[N+](=O)[O-] 1302513185 PIPUPJSXHVIMAT-OLZOCXBDSA-N 309.322 -0.015 5 10 DBBE NC(=O)C(=O)N(CCO)CCNCc1csc([N+](=O)[O-])c1 1326087074 XOLQYLZPJSDILK-UHFFFAOYSA-N 316.339 -0.948 5 10 DBBE CC[C@H](C)OCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1351531316 GXMBWIMMYYVLEW-ZETCQYMHSA-N 320.327 -0.052 5 10 DBBE COCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1523593477 FDEQAHRZXIBEJJ-GMTAPVOTSA-N 320.367 -0.296 5 10 DBBE O=C(NCC(=O)N1CCOCC1)c1[nH]nc([N+](=O)[O-])c1Cl 1631819079 OQFIQHKQOGXTKR-UHFFFAOYSA-N 317.689 -0.440 5 10 DBBE C[C@@H]1CN(CCO)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 1639023469 JZONJZVSIOLBQA-LLVKDONJSA-N 311.342 -0.294 5 10 DBBE CCCN(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1703913764 KYADOSFDSURKFQ-DDHJBXDOSA-N 312.370 -0.243 5 10 DBBE Cn1cc(N2C[C@@H](C(=O)N3CCN=C3C[N+](=O)[O-])CC2=O)cn1 1852137115 ILSJTBSKCVTXHU-VIFPVBQESA-N 320.309 -0.710 5 10 DBBE O=[N+]([O-])c1cccc(=NCC[C@@H]2CNCCS2(=O)=O)[nH]1 1925570984 MHTUBUKDYYQPQP-SECBINFHSA-N 300.340 -0.400 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@H]2CCO[C@@H]2C(N)=O)c1[N+](=O)[O-] 2174107386 NYONCSZHBFZTOE-FSPLSTOPSA-N 301.690 -0.177 5 10 DBBE Cc1cc(S(=O)(=O)NC[C@@H](O)CN)cc([N+](=O)[O-])c1F 2182584274 FVSPZAZMUUEHDM-ZETCQYMHSA-N 307.303 -0.360 5 10 DBBE CCCNC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50657836 XWTNWPSFQAJJTH-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1[N+](=O)[O-] 61712729 YQSLSROJXHGRJW-ZETCQYMHSA-N 302.312 -0.364 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@](C)(O)CO 90287507 LXAVDOUREQMCAN-NSHDSACASA-N 320.323 -0.375 5 10 DBBE COCCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N 164608269 CMHYEIKTVJANTJ-UHFFFAOYSA-N 319.339 -0.194 5 10 DBBE C[C@@H]1C(=O)NCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 191759303 YXJQKMOEOOFSLU-SECBINFHSA-N 308.294 -0.507 5 10 DBBE O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 427925436 UMFUYPNBJOUULZ-NXEZZACHSA-N 323.309 -0.217 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCNC23CCC3)n1 599107817 VXQUBBSKEAVQFE-SECBINFHSA-N 315.355 -0.109 5 10 DBBE CC(C)CNC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1265714838 WULNWLBNDLRHSW-DIACKHNESA-N 324.381 -0.530 5 10 DBBE NC(=O)[C@]12CCC[C@H]1CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 1308110226 FWTGNFFUSOIQSV-SUHUHFCYSA-N 323.353 -0.260 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(C(=O)O)CCCOC2)n1 1331825972 GEYIBEDSBOCDHH-GFCCVEGCSA-N 312.282 -0.061 5 10 DBBE O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cn2c(n1)CCC2 1350017547 VDJTVYVSOPJBBN-MWLCHTKSSA-N 321.337 -0.269 5 10 DBBE NC(=O)[C@]12CCC[C@H]1CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 1536563465 NGQYVTLFQPCYEM-UFBFGSQYSA-N 308.298 -0.700 5 10 DBBE CS(=O)(=O)CCCN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1566838596 VUJFYBYPWDLHIG-LMLFDSFASA-N 319.383 -0.677 5 10 DBBE CCn1c(=O)on(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1=O 1615198976 ANPRPGCPXZRMSV-UHFFFAOYSA-N 315.263 -0.232 5 10 DBBE CN(CCNC(=O)C12CCN(CC1)C2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688355717 WZXJZEKELNEFLJ-GHMZBOCLSA-N 310.354 -0.678 5 10 DBBE CCCN(CCNC(=O)Cn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737854747 SSTBOKSSCDEQFL-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE Cn1c(C(=O)N2CCC(N3CC[C@H](O)C3)CC2)cnc1[N+](=O)[O-] 1889911649 MLXMPQRXKNBDBK-NSHDSACASA-N 323.353 -0.001 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@@H](F)[C@H](CO)C2)c1 2177138191 KSLUYDUYMUZAOZ-OIBJUYFYSA-N 305.287 -0.059 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@H]2CC[C@@H]2O)n1 2240654962 WZYHVAIMFJNEED-XCBNKYQSSA-N 304.328 -0.481 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@@H](N)[C@@H](C)O)cc1[N+](=O)[O-] 80748792 BWZKHJNIDFGFFV-VXNVDRBHSA-N 319.339 -0.410 5 10 DBBE COC(=O)c1cc(C)nc(N2CCO[C@@H](C(N)=O)C2)c1[N+](=O)[O-] 283431888 BNDSWHOICRDWQW-SECBINFHSA-N 324.293 -0.225 5 10 DBBE CNc1nccc(C(=O)N[C@@H](C)Cn2cncn2)c1[N+](=O)[O-] 561196581 FXVRGCLWFHEYLP-QMMMGPOBSA-N 305.298 0.442 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCNCC2(C)C)n1 599106322 FJQBIFXYZDMUKF-SECBINFHSA-N 317.371 -0.005 5 10 DBBE CN1CCC[C@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599228842 KBKWOEZHSZSOIW-SECBINFHSA-N 317.371 -0.052 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 800804110 ZEAUHJIXLGLSDF-VHSXEESVSA-N 321.332 -0.474 5 10 DBBE CO[C@H](Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)[C@@H]1CCOC1 1118413714 YFMRPBLTRTWHLT-LDYMZIIASA-N 311.294 -0.093 5 10 DBBE Cc1nn(C)cc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1285923174 CPSXDQZNIITZBQ-MWLCHTKSSA-N 321.337 -0.228 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCCN2C(=O)CCC2=O)n1 1320398719 KBMBXDVPODRLSU-UHFFFAOYSA-N 309.282 -0.403 5 10 DBBE CCNC(=O)CC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1492326794 RMDXRGTYYHVCIH-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE CNC(=O)CNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 1524638970 GCBDFQJZONGUAZ-UHFFFAOYSA-N 318.293 -0.290 5 10 DBBE Cn1cnc(-c2nnc3n2CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)c1 1557977066 YVFDBZIGEBDKBJ-PSASIEDQSA-N 317.309 -0.314 5 10 DBBE CN(CCNCc1noc2c1COCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1567494017 OFGGLYSRSKAWFX-BXKDBHETSA-N 324.337 -0.040 5 10 DBBE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnn(C)n1 1570196983 SVBCDZQOZIWBFL-NXEZZACHSA-N 311.346 -0.844 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(c2nn[nH]n2)CC1 1644045294 MSGWPQHKVXFQEB-UHFFFAOYSA-N 306.286 -0.289 5 10 DBBE CCN(CCS(C)(=O)=O)c1ncc([N+](=O)[O-])c(=NC)[nH]1 2157680863 UVCYBFWKFZSRIQ-UHFFFAOYSA-N 303.344 -0.281 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 2192676035 JMNLFRQTLKWVPG-RKDXNWHRSA-N 302.312 -0.962 5 10 DBBE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1c1ncc([N+](=O)[O-])cc1Cl 2200863194 QUIRFYJLSUAERM-FXQIFTODSA-N 303.658 -0.362 5 10 DBBE CN=c1[nH]c(=NCCS(=O)(=O)C2CC2)[nH]cc1[N+](=O)[O-] 2290120990 GCGPCOWRDFGHJY-UHFFFAOYSA-N 301.328 -0.741 5 10 DBBE O=[N+]([O-])c1ccc(CO)cc1O[C@H]1CS(=O)(=O)C[C@H]1O 50517806 GOSKYPUSFBTUMG-KOLCDFICSA-N 303.292 -0.376 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 136193318 VLTZYQIIVXKKCS-ZCFIWIBFSA-N 303.296 -0.157 5 10 DBBE Cn1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(=O)n(C)c1=O 150736222 LINHBHOVJLDCTB-UHFFFAOYSA-N 322.281 -0.783 5 10 DBBE O=C(NC[C@H]1CNC[C@H]1O)c1cc2c(cc1[N+](=O)[O-])OCCO2 262278994 NSKHVSFOIXGQFC-LDYMZIIASA-N 323.305 -0.324 5 10 DBBE O=C(CO)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 355281838 HLPLGHMIFOCFOG-UHFFFAOYSA-N 309.278 -0.423 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@]2(CCSC2)C1 565543365 ILTXFHXUCANFJC-LLVKDONJSA-N 313.339 -0.079 5 10 DBBE CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 595354501 SOAWDXUEDRTNSD-MRVPVSSYSA-N 314.323 -0.207 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@]1(OCCO)CCOC1 597996929 RNFJMDCJANZHEK-GFCCVEGCSA-N 314.298 -0.925 5 10 DBBE COc1cc(C(=O)N2C[C@H](O)C[C@H]2C(N)=O)cc([N+](=O)[O-])c1C 600240776 HHLXLEAIIWTQCE-KOLCDFICSA-N 323.305 -0.027 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CNC[C@@H]1O 704140470 HHHDPCSFEDUBGW-CBAPKCEASA-N 305.287 -0.655 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCS(=O)(=O)C2)n1 1136158005 MKHAPAQMZLYBCY-SSDOTTSWSA-N 302.312 -0.507 5 10 DBBE O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H](O)[C@H](CO)C1 1299170028 LBRQNIQXQNBSSY-WRWORJQWSA-N 306.278 -0.104 5 10 DBBE CC(C)NC(=O)CN(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1316823365 IWFFDQQTYXVXFF-GHMZBOCLSA-N 300.359 -0.386 5 10 DBBE C[C@H](CS(C)(=O)=O)N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] 1320377395 XFZOCUJNJKHSQW-SSDOTTSWSA-N 304.328 -0.167 5 10 DBBE CCN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 1439517413 DOQYGPNCKHKUFJ-LLVKDONJSA-N 322.321 -0.116 5 10 DBBE CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 1455078879 OBGANJGUBGFORE-QMMMGPOBSA-N 311.298 -0.307 5 10 DBBE Cc1ccnc(N(C)CCNC(=O)Cn2ncnn2)c1[N+](=O)[O-] 1565599837 POCDVGMGULMMLR-UHFFFAOYSA-N 320.313 -0.463 5 10 DBBE Cc1nn(C)c(C(=O)NC[C@H](O)c2ccnn2C)c1[N+](=O)[O-] 1611669348 UNZPVHFYPPFVAG-VIFPVBQESA-N 308.298 -0.166 5 10 DBBE CN1C(=O)CN(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O 1630818738 UIFCTYGBKHYUMR-SNVBAGLBSA-N 308.250 -0.447 5 10 DBBE COC1(OC)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O 1638765313 SVENWLVKKNTMED-JTQLQIEISA-N 314.298 -0.626 5 10 DBBE C[C@H](O)[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCO1 1642542177 UXTOTEIGWAASBG-CABZTGNLSA-N 311.294 -0.635 5 10 DBBE NS(=O)(=O)NCCCNC(=O)c1ccc([N+](=O)[O-])cc1 2157532120 KTYTZWYMWMXBKO-UHFFFAOYSA-N 302.312 -0.492 5 10 DBBE COc1nc(=NCCS(=O)(=O)N(C)C)[nH]cc1[N+](=O)[O-] 2157677012 RMUFCMKXJRFLNC-UHFFFAOYSA-N 305.316 -0.881 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC1([C@H](O)CO)CC1 2190119859 QXTKCWGSFMFTPB-SNVBAGLBSA-N 302.308 -0.241 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)[C@H]2C[C@H](CO)C2)n1 2240642138 JBGXNEPBOMYDNM-ZKCHVHJHSA-N 304.328 -0.481 5 10 DBBE O=[N+]([O-])c1cncc(Cl)c1N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2289495418 UIVLBLCJGYWXGF-PUMQYWBSSA-N 303.702 -0.207 5 10 DBBE C[C@@H](O)CNCCNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 132250007 VMDRHVYARUEMMO-MRVPVSSYSA-N 321.330 -0.017 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(NC(=O)C2CC2)C1 189413020 LWHUBNHBIGVZMD-UHFFFAOYSA-N 307.310 -0.163 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(F)(F)C[C@H]2CO)c1 366678164 LQLSVEUINIYHAG-WCBMZHEXSA-N 306.269 -0.146 5 10 DBBE CCS(=O)(=O)NCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] 390424461 PUDRAUSKJJKKNF-UHFFFAOYSA-N 317.323 -0.031 5 10 DBBE NC(=O)CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1=O 458048074 RADDDTPGZXEYCC-UHFFFAOYSA-N 320.305 -0.707 5 10 DBBE O=C(CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CCC1 1265476918 UYNKHUKDPGWABM-FDYHWXHSSA-N 324.381 -0.195 5 10 DBBE O=C(N[C@@H]1COC[C@H]1O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 1297980923 ZPCFMFIXFBZIJZ-BXKDBHETSA-N 319.277 -0.335 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1C[C@@H](O)[C@H](CO)C1 1451193371 WNHZABSPMUWPOC-OIBJUYFYSA-N 310.262 -0.251 5 10 DBBE Cn1nncc1C1(O)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 1455152096 YWBARFWNYWMMRS-UHFFFAOYSA-N 319.277 -0.228 5 10 DBBE CCN(CCNC(=O)CCn1ccnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496851980 BKHVWBHCWNIANM-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1cc(C)cn1 1688397928 PVSRRXSHGNCXTL-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE CCC(CC)NC(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1692192738 LHXVCKSKMBTOTH-VXGBXAGGSA-N 312.370 -0.243 5 10 DBBE CN(CC1CC1)C(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1713900509 AECDHZAHFBCQBU-CHWSQXEVSA-N 324.381 -0.432 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(CCn2cccn2)CC1 1852501677 DAZLNGQTIAIITL-UHFFFAOYSA-N 319.325 -0.028 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2174118224 FTUAPLTZWSMYTK-POYBYMJQSA-N 308.287 -0.246 5 10 DBBE N[C@@H](CCS(=O)(=O)Cc1ccc([N+](=O)[O-])cn1)C(=O)O 2195337075 HXHFEJCZZPEWPU-VIFPVBQESA-N 303.296 -0.293 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2C(=O)[C@H]3CC[C@@H]3S2(=O)=O)n1 2283221797 UASQUDZPXFPVRD-RCOVLWMOSA-N 300.296 -0.221 5 10 DBBE COC[C@H](O)CN(C)S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50677977 XZEQQLDLQVACTL-SECBINFHSA-N 319.339 -0.195 5 10 DBBE N[C@@H](Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)C(=O)O 125093390 LIKVDBAVJJIDHF-YFKPBYRVSA-N 306.072 -0.069 5 10 DBBE CN(C)CC(=O)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 357953164 BODYGMDNKLGQAQ-UHFFFAOYSA-N 324.341 -0.826 5 10 DBBE CN(CCN1CCCS1(=O)=O)C(=O)c1cc([N+](=O)[O-])n[nH]1 586791877 MLIRCQBVMUGOJM-UHFFFAOYSA-N 317.327 -0.575 5 10 DBBE CSC[C@](C)(O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599244016 XNQVISRYRSKENW-SECBINFHSA-N 324.384 -0.279 5 10 DBBE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1C(=O)O 600654221 UZLJPQGWPVVHIJ-XPUUQOCRSA-N 318.311 -0.188 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCCC12OCCO2 765204662 YRHZWPDIRFMXON-VIFPVBQESA-N 311.298 -0.012 5 10 DBBE NC(=O)CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 1116281092 MUAMAZGFWJLACZ-SECBINFHSA-N 307.310 -0.331 5 10 DBBE CCN(CCNC(=O)c1cnccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1284595891 WLUGKEGZMONNDL-MWLCHTKSSA-N 307.310 -0.280 5 10 DBBE CN1CCN(C2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 1467630448 AFMTWMPGWSLXFE-UHFFFAOYSA-N 320.353 -0.356 5 10 DBBE CCc1nn(C)cc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1491698159 UXKNCRNSAQRZQI-BXKDBHETSA-N 323.353 -0.116 5 10 DBBE CC[S@@](=O)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1565746434 NUGUKPMBMLDPNT-HXUWFJFHSA-N 301.324 -0.359 5 10 DBBE COC(=O)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCOC1 1607762339 STDKYBRVRZDYKU-HTQZYQBOSA-N 312.282 -0.127 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@H](O)[C@@H](CO)C1 1626172417 RJZXGCMTWPWAJH-PELKAZGASA-N 314.269 -0.076 5 10 DBBE O=Cc1ccc(OCC(=O)N2CC[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 1635759682 GPDDHKJTLWXEDI-NEPJUHHUSA-N 324.289 -0.260 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](C3OCCO3)C2)c1 1644537019 XAUCNUYZWDNTPB-JQWIXIFHSA-N 312.326 -0.153 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](CCO)[C@@H](CO)C2)c1 1655113002 LASPUSUCLQSYFZ-NQBHXWOUSA-N 314.342 -0.925 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)CCCC(N)=O)C1 1713878951 GJLOHDGPEXSXSC-UHFFFAOYSA-N 324.341 -0.716 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1(F)CCOCC1 1737725806 DHWBKZYCYKJLDB-NXEZZACHSA-N 317.317 -0.255 5 10 DBBE Cn1cc(C(=O)N2CCN3C[C@@H](O)C[C@H]3C2)cc([N+](=O)[O-])c1=O 1890534687 LLLGOBBECSBDSP-QWRGUYRKSA-N 322.321 -0.816 5 10 DBBE NC[C@@H]1COC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2154118404 IHUDUSNQHQMIRA-LDYMZIIASA-N 301.324 -0.153 5 10 DBBE CN=c1[nH]c(=NC[C@H]2CCS(=O)(=O)C2)[nH]cc1[N+](=O)[O-] 2157681376 BMAOANABVYZNLQ-SSDOTTSWSA-N 301.328 -0.883 5 10 DBBE Cc1nc(Cl)nc(N2CCNC[C@H]2C(N)=O)c1[N+](=O)[O-] 2162818757 RAHVCDUHDVMVND-LURJTMIESA-N 300.706 -0.390 5 10 DBBE C[C@@H]1CC[C@H](C(N)=O)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 75714639 BJKMKCXSQHTEAF-SCVCMEIPSA-N 311.342 -0.262 5 10 DBBE Cc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1OCCC(N)=O 123197171 WYMOXKFGDNNMRA-UHFFFAOYSA-N 303.296 -0.195 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1)c1nn[nH]n1 132204480 POBBGDUNLBDODL-RXMQYKEDSA-N 313.299 -0.270 5 10 DBBE Cc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)n[nH]1 352985373 KJKHNXXAYKHQFF-UHFFFAOYSA-N 320.313 -0.298 5 10 DBBE CN1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC1=O 599237821 GFRDOOGKSXLJCG-ZETCQYMHSA-N 317.327 -0.773 5 10 DBBE CC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NC 599328647 CFCOCBNVVVCNHG-ZCFIWIBFSA-N 305.316 -0.869 5 10 DBBE NS(=O)(=O)c1cn(CCO[C@@H]2CCOC2)nc1[N+](=O)[O-] 724954120 DZVSMMDWVCVSKP-SSDOTTSWSA-N 306.300 -0.756 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 1584199478 UHBUZICRICXJJV-JQWIXIFHSA-N 323.353 -0.001 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCCn2nncc2C1 1597994229 BYDYMQUHCKKAQK-UHFFFAOYSA-N 318.293 -0.220 5 10 DBBE O=[N+]([O-])c1c(Cl)nc[nH]c1=NC[C@H]1CCS(=O)(=O)N1 2089989111 ADVADJJZXHSGFS-RXMQYKEDSA-N 307.719 -0.436 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@H](CO)[C@H](C)O)cc1[N+](=O)[O-] 2174123590 MYVFJZBUSFPQKY-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE O=C(O)C1CN(S(=O)(=O)N=c2cc[nH]cc2[N+](=O)[O-])C1 2202431229 YGQINAKUISSFFH-UHFFFAOYSA-N 302.268 -0.915 5 10 DBBE CN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 228410453 HCKJGVKRFJZRQN-UHFFFAOYSA-N 304.280 -0.094 5 10 DBBE O=C(NC(CO)(CO)CO)c1cc(Cl)ncc1[N+](=O)[O-] 236490770 KPOPCSZLSGNVPJ-UHFFFAOYSA-N 305.674 -0.911 5 10 DBBE CN(C)C(=O)CCN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 351896913 ZARBBEGOIXDQKF-UHFFFAOYSA-N 324.385 -0.113 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cnn(C)n2)n1 792184960 JZKIFJNLQDERCF-UHFFFAOYSA-N 308.254 -0.021 5 10 DBBE O=C1NC(=O)[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]12 1158796023 HJGGLTRMQWKBSA-AOOOYVTPSA-N 305.246 -0.355 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)[C@]1(F)CCS(=O)(=O)C1 1265981696 ASHCBJQYPGTYGB-JTQLQIEISA-N 320.302 -0.566 5 10 DBBE COC(=O)C(=O)[C@@H](C)OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1320473601 WOWCDIJZZJLYGG-SSDOTTSWSA-N 312.234 -0.570 5 10 DBBE O=C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C2(CN1)COC2 1438860021 LGZPCKIUBDKUBG-UHFFFAOYSA-N 306.278 -0.279 5 10 DBBE CCN(CCNCc1cnn(CC)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1497389793 AMAJLHBDFOHRSJ-VXGBXAGGSA-N 310.358 -0.099 5 10 DBBE CNC(=O)CN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)NC 1560119685 OMSJLXLLJCZDHR-UHFFFAOYSA-N 324.337 -0.232 5 10 DBBE O=C1CC2(CCC2)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1 1620559855 DVCPGJDBFAHQBE-LBPRGKRZSA-N 323.353 -0.103 5 10 DBBE CS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 1637418352 UQUPSAXRSXOORG-SSDOTTSWSA-N 302.312 -0.175 5 10 DBBE NNc1ncnc(NC2[C@H]3CS(=O)(=O)C[C@H]23)c1[N+](=O)[O-] 2174639646 CRBKPGJYNJDBPQ-WHFBIAKZSA-N 300.300 -0.875 5 10 DBBE O=[N+]([O-])c1c(F)nc[nH]c1=NCC1[C@@H]2CS(=O)(=O)C[C@@H]12 2174707834 KUNHESIAWLWGDC-BQBZGAKWSA-N 302.287 -0.352 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@@H]2CC[C@@H]2N)n1 2240647516 GUPWZNYHWMICMK-YUMQZZPRSA-N 303.344 -0.515 5 10 DBBE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 2286053854 VTZNAVRJAWMGPQ-VIFPVBQESA-N 303.296 -0.163 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](O)C1 61712733 WUCFVERILQMFBZ-QMMMGPOBSA-N 302.312 -0.364 5 10 DBBE COC[C@H](O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 71270317 SNNIHKYBEIUDAV-SSDOTTSWSA-N 306.296 -0.414 5 10 DBBE CNC(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 75613417 GYQCCDCARQIVJF-LBPRGKRZSA-N 311.342 -0.390 5 10 DBBE C[C@H]1C(=O)NCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 191759318 YXJQKMOEOOFSLU-VIFPVBQESA-N 308.294 -0.507 5 10 DBBE COC(=O)[C@H](CO)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 351967325 KNTALTNCFKEQNG-JTQLQIEISA-N 318.307 -0.452 5 10 DBBE C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599293578 ZZNRTEDIBJMAIA-GMSGAONNSA-N 320.327 -0.854 5 10 DBBE O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCOCC1 619871010 BZSZQYCZUMHKDU-ZDUSSCGKSA-N 323.349 -0.053 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(c2nc(N)ccc2[N+](=O)[O-])C1 703162648 LYZZABCXZGFEFL-ZETCQYMHSA-N 301.328 -0.300 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)c1cc(O)ccc1[N+](=O)[O-] 719720216 OJTSSQBYGLHTNJ-UHFFFAOYSA-N 303.296 -0.339 5 10 DBBE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839755347 HYXFFURPSCMWLB-DOLQZWNJSA-N 305.356 -0.514 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC(O)(CO)C1 854672839 OUOYGNKLHUESHV-UHFFFAOYSA-N 300.242 -0.322 5 10 DBBE O=C(NCCS(=O)(=O)CC(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] 855573175 FICXCKYAFBNRKF-PHDIDXHHSA-N 304.246 -0.255 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCS1(=O)=O 1158097111 LFKKARLPTVGNQH-ZETCQYMHSA-N 302.312 -0.365 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1c([N+](=O)[O-])c(C)nn1C 1261750944 MKFGAWLEYGXMLN-OIBJUYFYSA-N 312.282 -0.303 5 10 DBBE Cn1ncnc1CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1265161267 HLYLZFXNYJIYKA-VXGBXAGGSA-N 322.369 -0.049 5 10 DBBE COCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(C)F 1488536603 VVTQHCXLSOGGDS-NXEZZACHSA-N 319.333 -0.009 5 10 DBBE Cc1cc(CC(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 1523405885 LQRASOVNTODNJI-VXGBXAGGSA-N 323.353 -0.109 5 10 DBBE COC(=O)[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCOC1 1540282470 FHHXJCSVJZARIB-GFCCVEGCSA-N 312.282 -0.513 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCc1nncn1C 1637378062 WUCMZLBJSCTQPU-UHFFFAOYSA-N 307.314 -0.023 5 10 DBBE O=C1NC(=O)[C@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 1658728139 KOAUUYUKVXVPBQ-TUAOUCFPSA-N 305.290 -0.167 5 10 DBBE CN(CCNC(=O)c1cn2c(n1)CCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688333493 MJIPHUPFFRWEPM-MWLCHTKSSA-N 321.337 -0.317 5 10 DBBE CC(C)COCCN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1724454025 NFLYDBXFIFYYDF-VXGBXAGGSA-N 315.370 -0.513 5 10 DBBE O=C(NC1(CCO)CN(C(=O)c2cocn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1734821395 QATXGEJACHPHBC-PSASIEDQSA-N 324.293 -0.967 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=N[C@H]1CS(=O)(=O)C[C@@H]1O 2121469071 RXDCQOWSORYYQJ-NJGYIYPDSA-N 308.703 -0.970 5 10 DBBE NC[C@@H]1COCCN1S(=O)(=O)c1cncc([N+](=O)[O-])c1 2153168718 SVVZRKYGKNHJHA-SECBINFHSA-N 302.312 -0.662 5 10 DBBE C[S@@](=O)CCCCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 2166656114 CFYWWJWGOCPCMQ-BIBXISHDSA-N 304.372 -0.100 5 10 DBBE O=C(O)[C@H](Nc1cccnc1[N+](=O)[O-])C1CS(=O)(=O)C1 2197526465 STBVXMHETSREGM-MRVPVSSYSA-N 301.280 -0.101 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(=N[C@@H]2CS(=O)(=O)C[C@@H]2O)[nH]1 2239225475 RZBRWKNWSFGTMT-APPZFPTMSA-N 304.328 -0.636 5 10 DBBE CN(C)S(=O)(=O)CCCNCc1nn(C)cc1[N+](=O)[O-] 2240632808 AWBHRWIGOVANNA-UHFFFAOYSA-N 305.360 -0.301 5 10 DBBE C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)O 21059980 XLDGOWJWFXHCKC-SSDLBLMSSA-N 322.270 -0.154 5 10 DBBE CN(CCN1CCCS1(=O)=O)c1c([N+](=O)[O-])ncn1C 74774844 IJCVAVQBUBWIQU-UHFFFAOYSA-N 303.344 -0.200 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](N)[C@H](C)O 80739088 DJHYJRAEFSUQGM-WPRPVWTQSA-N 303.340 -0.110 5 10 DBBE O=C(O)[C@@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 88664033 IZBPPJAMYVQPNQ-QMMMGPOBSA-N 316.295 -0.963 5 10 DBBE Cc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1O[C@@H](C)C(N)=O 123200708 NSGHELBVUPLQDA-LURJTMIESA-N 303.296 -0.197 5 10 DBBE CC(C)(NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1)C(N)=O 157576926 FQIHPHFRJSGWQL-UHFFFAOYSA-N 308.341 -0.219 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 158490450 UKYTYHIFOKGYTH-LJQANCHMSA-N 322.368 -0.463 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 158490735 KCZZRTRCTFPSLW-LJQANCHMSA-N 322.368 -0.463 5 10 DBBE COC[C@]1(C(=O)O)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 591652549 KVJDOVYDWIUXQK-LBPRGKRZSA-N 312.282 -0.117 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC23CCNCC3)n1 599107396 JETDKHPYLWLTRA-VIFPVBQESA-N 315.355 -0.251 5 10 DBBE CN1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 599237755 DQBOVKBBJAJFBR-ZETCQYMHSA-N 317.327 -0.821 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2C(=O)O)n1 600655856 UDJOESSMCITJOH-ZETCQYMHSA-N 318.311 -0.044 5 10 DBBE Cc1nc(NCCNS(=O)(=O)N(C)C)ncc1[N+](=O)[O-] 1458372864 VPBLVMXBEXLYDB-UHFFFAOYSA-N 304.332 -0.499 5 10 DBBE NC(=O)c1ccc(CN2C[C@@H](CO)[C@@H](CO)C2)c([N+](=O)[O-])c1 1473737066 UCDKELLFKRRVRU-TXEJJXNPSA-N 309.322 -0.274 5 10 DBBE CCCNC(=O)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1568480502 IMJUBGSXDGIEBT-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1643934213 DMAHMPITVBDZMP-RFZPGFLSSA-N 318.673 -0.280 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2C[C@H](O)C[C@H]2O)cc1[N+](=O)[O-] 2165088204 FXRXBMGFSHTZJY-HBPOCXIASA-N 323.352 -0.599 5 10 DBBE CCn1ncc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)n1 2172486210 QBBPNYMLMMDNNC-UHFFFAOYSA-N 301.288 -0.902 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@@H](CO)[C@@H](C)O)cc1[N+](=O)[O-] 2174123589 MYVFJZBUSFPQKY-SCZZXKLOSA-N 304.324 -0.077 5 10 DBBE Nc1cc(O[C@H]2CS(=O)(=O)C[C@@H]2N)c(F)cc1[N+](=O)[O-] 2184669848 UTKZOEYTVPKKHB-XVKPBYJWSA-N 305.287 -0.181 5 10 DBBE CS(=O)(=O)N1CC(CN=c2ccc(N)c([N+](=O)[O-])[nH]2)C1 2233042461 FRCJAMGLMKDYGU-UHFFFAOYSA-N 301.328 -0.703 5 10 DBBE CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 36265000 IZXYITWPBQXDAE-ONGXEEELSA-N 319.314 -0.001 5 10 DBBE Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC(CO)CO)c1C 87752284 RLNYYLXJAWJLQD-UHFFFAOYSA-N 304.324 -0.157 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2C=CS(=O)(=O)C2)c1 88856974 JAQFPEGYQLOUPD-SCZZXKLOSA-N 302.312 -0.948 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 157128719 RXTAFIVTZJTNCQ-ZCFIWIBFSA-N 317.327 -0.577 5 10 DBBE COCCN(CCO)S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 164608823 YPOHQJAHKYDLHJ-UHFFFAOYSA-N 319.339 -0.194 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1COC[C@@H]1O 323141351 XYWHMQVVKLNXBR-UWVGGRQHSA-N 302.308 -0.059 5 10 DBBE CC(=O)N1CSC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 331191144 VVNUWNYGFTWTSW-JTQLQIEISA-N 313.339 -0.171 5 10 DBBE C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(=O)N(C)C1 349702977 MRLLPPUSJBZKLD-VIFPVBQESA-N 320.305 -0.029 5 10 DBBE C[C@H](C[S@@](C)=O)NC(=O)c1cc([N+](=O)[O-])ncc1NN 379843012 KDJCRUOLWSXYGB-PXKKQCTMSA-N 301.328 -0.228 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H](CN)C1 595109551 WUMKHTAQLFMITC-SNVBAGLBSA-N 315.355 -0.747 5 10 DBBE NS(=O)(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 599176826 ZVPGQDIREBEZRP-UHFFFAOYSA-N 301.328 -0.248 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@@H](O)[C@H](CO)C1 1261580745 YSDVYQIHMQPGAB-WCBMZHEXSA-N 317.323 -0.646 5 10 DBBE CS(=O)(=O)C1(COC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1514726906 ZEKZWWSPXXLTBE-UHFFFAOYSA-N 304.284 -0.693 5 10 DBBE COC(=O)[C@@H](O)CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] 1598290548 VAUAOXGZDOQUPL-VIFPVBQESA-N 300.242 -0.074 5 10 DBBE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC([N+](=O)[O-])C1 1900101406 AOKLASUEOVZJLO-SECBINFHSA-N 303.315 -0.250 5 10 DBBE N=c1nc(C(=O)N2CC([N+](=O)[O-])C2)c(Br)c[nH]1 2016887603 MZLJBMAEYXNHIU-UHFFFAOYSA-N 302.088 -0.247 5 10 DBBE O=[N+]([O-])c1nc(Br)n(C[C@@]2(O)CNCCOC2)n1 2039072875 RURGARCSFDROLV-QMMMGPOBSA-N 322.119 -0.700 5 10 DBBE CN1[C@@H](CNc2[nH]c(=N)ccc2[N+](=O)[O-])CCS1(=O)=O 2145346261 JQXIMUBNZSVRGF-SSDOTTSWSA-N 301.328 -0.152 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CCOC[C@@H]1[C@@H](O)CO 2146323390 LAPMMLCJNQZEEV-RQJHMYQMSA-N 304.690 -0.403 5 10 DBBE O=C(N[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O)c1ccc([N+](=O)[O-])s1 2177877115 MUPZQMKSLFXEPP-FNIZFGCXSA-N 302.308 -0.511 5 10 DBBE C[C@H]1[C@H](O)CN1S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 2182522959 JHYRSAAUVQXEEF-POYBYMJQSA-N 302.312 -0.366 5 10 DBBE COC[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)c1cc([N+](=O)[O-])cs1 2233870362 IAIPFFBWNRVIPQ-NQMVMOMDSA-N 302.308 -0.151 5 10 DBBE N[C@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O)C(=O)O 2286015992 JUZPFLWMBCCVDP-ZCFIWIBFSA-N 305.268 -0.546 5 10 DBBE O=[N+]([O-])c1c(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)ccnc1Cl 2289398036 HXCGVXFJDPTEDD-PMVVWTBXSA-N 303.702 -0.207 5 10 DBBE CCC(=O)N=c1[nH]onc1-c1nonc1-c1nonc1[N+](=O)[O-] 2295355929 YGWUVNXMWWGDSN-UHFFFAOYSA-N 322.197 -0.152 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NCCCOCCO)c1 312683052 AMJQUWFTYWQSFB-UHFFFAOYSA-N 305.312 -0.333 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 609285939 SWMCKUGLKYTDCI-MNOVXSKESA-N 324.341 -0.756 5 10 DBBE C[C@@H](O)[C@@H](O)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 717413603 FHRUYCHHWQTRHP-LDWIPMOCSA-N 308.287 -0.246 5 10 DBBE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839762709 URVHOOKYOBBUHZ-OPRDCNLKSA-N 305.356 -0.418 5 10 DBBE C[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCOC1=O 845935259 AXQKOJAGMYIQOK-SNVBAGLBSA-N 301.280 -0.026 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OCc1cn2cccnc2n1 1322600369 FJWIAAUAWRVPCN-UHFFFAOYSA-N 303.238 -0.028 5 10 DBBE O=C1NC2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CO1 1435653359 NNAKIFGAZYLAJB-UHFFFAOYSA-N 310.270 -0.713 5 10 DBBE O=[N+]([O-])c1cnn(CCN2CCC(O)(COCCO)CC2)c1 1460798990 CHLJZVWLYISJMQ-UHFFFAOYSA-N 314.342 -0.373 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)CN2CCCC2=O)n1 1595708491 LIADZEZIXCZUSY-MRVPVSSYSA-N 311.298 -0.959 5 10 DBBE CN(C)S(=O)(=O)C1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 1596280099 KKBFXNWALFXPOH-UHFFFAOYSA-N 317.327 -0.528 5 10 DBBE O=C1NC[C@@H](O)CC12CCN(c1ncc([N+](=O)[O-])cn1)CC2 1643262211 SWXBMDNHKOFFNB-JTQLQIEISA-N 307.310 -0.148 5 10 DBBE Cc1cn(C)nc1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720480046 HNAPTQINHYBTMG-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE O=C(NCCN(C(=O)c1ncccn1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1759082983 UNGMXVJLFPEYML-GHMZBOCLSA-N 319.321 -0.137 5 10 DBBE CCN=c1nc(NC2(C)CS(=O)(=O)C2)c([N+](=O)[O-])c[nH]1 1918399171 FISXNUAMJSTTQC-UHFFFAOYSA-N 301.328 -0.163 5 10 DBBE CS(=O)(=O)C1CN(c2ncc([N+](=O)[O-])cc2C(=O)O)C1 2152285718 RYGPFDSOBLNYTM-UHFFFAOYSA-N 301.280 -0.079 5 10 DBBE CNC1CN(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)C1 2159008393 NWEWJLRYQFZAHK-UHFFFAOYSA-N 302.312 -0.139 5 10 DBBE O=[N+]([O-])c1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2O)c(F)c1 2176896956 FYPXBUPQQPRPJG-WDEREUQCSA-N 304.299 -0.019 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[P@@](C)(=O)C[C@@H]1O 2186551459 MEFKBYPDXMPFTK-NVCUEICFSA-N 302.227 -0.206 5 10 DBBE C[C@@H](NS(=O)(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(N)=O 2232783166 FQVNCCWIYLXCBV-SCSAIBSYSA-N 322.730 -0.018 5 10 DBBE O=C(O)[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 90262647 ZAVVUCKDRVHVTM-ZETCQYMHSA-N 324.698 -0.028 5 10 DBBE COCCN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1=O 301935554 RRQTXIDVPMQBNM-UHFFFAOYSA-N 320.309 -0.068 5 10 DBBE C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)S(N)(=O)=O 350621418 RIOWFGIXUWYYAY-MRVPVSSYSA-N 301.324 -0.070 5 10 DBBE CCOC(=O)C[C@@H](CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 590383452 KZKAQPNPYLPVON-VIFPVBQESA-N 314.298 -0.388 5 10 DBBE CCOC(=O)[C@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 595953490 JWBREKWXDMBUAE-LLVKDONJSA-N 308.294 -0.235 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@H]1C1OCCO1 726920337 BMTILPGZWWMDEK-VIFPVBQESA-N 311.298 -0.060 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ncccn1 1285544434 LIFKYIQZXMOKKV-BSANDHCLSA-N 305.294 -0.456 5 10 DBBE NC(=O)CCCCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1356758699 YHFIMPCERFLKNK-NXEZZACHSA-N 312.326 -0.976 5 10 DBBE O=C(N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1(O)COC1 1468736696 JRVLUEDZKRPVOA-UHFFFAOYSA-N 308.294 -0.600 5 10 DBBE CCN(CC)C(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1480137946 PONYTOYLXDKXRJ-DDHJBXDOSA-N 312.370 -0.243 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(C1)NC(=O)NC2=O 1640575164 ILLCAGKQFGGEHM-UHFFFAOYSA-N 304.262 -0.063 5 10 DBBE O=C1NC(=O)C2(CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)N1 1648746325 WVBCKIOJENKMFE-UHFFFAOYSA-N 320.261 -0.606 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)Cn1ccnc1 1714799218 FDTGPBNWUQOCQQ-UHFFFAOYSA-N 321.341 -0.227 5 10 DBBE O=C(O)[C@@H](O)Cn1cc(Br)cc([N+](=O)[O-])c1=O 1940166456 YUHXHLKTJIKOPY-LURJTMIESA-N 307.056 -0.036 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1ncc(F)cc1[N+](=O)[O-] 2192680825 YQVRJQPJCSIZII-VXNVDRBHSA-N 304.303 -0.074 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN[C@H]2COC[C@@H]2S(C)(=O)=O)n1 2207465136 KXYHPQITYJNKDR-WPRPVWTQSA-N 304.328 -0.770 5 10 DBBE COC[C@@H]1[C@H](O)[C@H](O)CN1c1cc(CO)sc1[N+](=O)[O-] 2233866201 OULYZRGGSWEOBS-BBBLOLIVSA-N 304.324 -0.295 5 10 DBBE NNc1cc(NCC(O)(CO)CO)c(Cl)cc1[N+](=O)[O-] 2234444875 RNZRGVKQONLAOZ-UHFFFAOYSA-N 306.706 -0.339 5 10 DBBE O=C(O)[C@@H]1CN(c2ncncc2[N+](=O)[O-])CCS1(=O)=O 2235286339 VNERFRXOVUXHBT-ZETCQYMHSA-N 302.268 -0.927 5 10 DBBE C[P@@]1(=O)C[C@@H](O)[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 2355662678 CRYHFOXGVRLWJO-UWCLWIGYSA-N 302.227 -0.357 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 21012263 VFUKCGMBGGSSTC-HZGVNTEJSA-N 304.280 -0.293 5 10 DBBE CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C(N)=O)c1 50656811 YPWQQLAZWQTQSY-ZCFIWIBFSA-N 302.312 -0.211 5 10 DBBE O=C(O)[C@H]1COC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 90364139 CBIMJBLUCCPYIR-JGVFFNPUSA-N 317.279 -0.632 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCOC(N)=O 135246859 CCQQRBDMUAFYGZ-UHFFFAOYSA-N 319.299 -0.746 5 10 DBBE CN1CCN(C)[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 264792560 SRSGYHYGSXVENP-SNVBAGLBSA-N 308.342 -0.254 5 10 DBBE C[C@@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])N(C)C 599338865 IFBWVXIBVFQSPY-QMMMGPOBSA-N 305.360 -0.053 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN[C@@H](CCO)C2)cc1 725374403 LFWLWKRQEPAADV-JTQLQIEISA-N 315.351 -0.060 5 10 DBBE COC[C@]1(CN(C)C)COCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 876474845 ILRADJIYNLNWGQ-NQBHXWOUSA-N 301.343 -0.543 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCN(CCCO)C1 1158483753 SFSQBNLWVWUAKU-SNVBAGLBSA-N 312.330 -0.851 5 10 DBBE CN(C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1445284577 GSLJYVUGWGDBHD-GMTAPVOTSA-N 319.383 -0.771 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCC[C@@H](CNS(N)(=O)=O)C2)n1 1458151338 ISMIYKRWOXHUTG-QMMMGPOBSA-N 318.359 -0.662 5 10 DBBE CNC(=O)CN(CC(=O)NC)C[C@H](O)c1cccc([N+](=O)[O-])c1 1460721806 RIRMFHMQAFCYIR-LBPRGKRZSA-N 324.337 -0.578 5 10 DBBE COCCC1(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1498175080 JIUFXYYDKADUMT-GHMZBOCLSA-N 311.338 -0.205 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCS(=O)(=O)N(C)C 1527584947 CWFLEQSGRXWWGQ-UHFFFAOYSA-N 319.343 -0.893 5 10 DBBE CC(C)(C(=O)N1CCC(CO)(CO)C1)n1cc([N+](=O)[O-])cn1 1585845424 HPHUIXPHKVEFTJ-UHFFFAOYSA-N 312.326 -0.270 5 10 DBBE Cc1cc(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 1687003469 DHEIXFPUJQKXHQ-VXGBXAGGSA-N 323.353 -0.441 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN1CC(CCO)(NC(=O)C2CC2)C1 1725198787 NMZJFNCXXJPGTB-UHFFFAOYSA-N 323.353 -0.209 5 10 DBBE O=C(N=c1cc[nH]cc1[N+](=O)[O-])c1cnc2[nH]ncn2c1=O 1866224874 IZEIRDWEMLZGTK-UHFFFAOYSA-N 301.222 -0.605 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N(CCO)C2COC2)c1 1915690871 YQFCVVDSFCEJIE-UHFFFAOYSA-N 303.296 -0.628 5 10 DBBE C[C@@](C(=O)O)([C@H]1CCS(=O)(=O)C1)n1cnc([N+](=O)[O-])n1 2146791644 MBWWBMFZUWKYSA-RCOVLWMOSA-N 304.284 -0.579 5 10 DBBE Nc1cccc(S(=O)(=O)N2C[C@H](F)[C@H](O)C2)c1[N+](=O)[O-] 2149266381 MJESGCPIMSEBOH-POYBYMJQSA-N 305.287 -0.120 5 10 DBBE N[C@H]1COC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2149987844 LKEUHFLFWHKCAJ-YUMQZZPRSA-N 305.287 -0.262 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2[C@H]3CCOC[C@H]32)nc1[N+](=O)[O-] 2150099969 SEBJZPXOJOZIEK-BWZBUEFSSA-N 302.312 -0.279 5 10 DBBE NCC1(O)CN(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1 2154725918 FWCGKRVLLUYEJO-UHFFFAOYSA-N 305.287 -0.572 5 10 DBBE C[P@]1(=O)C[C@H](O)[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 2177810411 VZCLKZYCCVEEKX-MMXNHZJYSA-N 302.227 -0.357 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2C[C@H]3CS(=O)(=O)C[C@@H]3C2)n1 2196047232 JQHMROVCYNMFSF-IUCAKERBSA-N 300.340 -0.195 5 10 DBBE O=C(O)[C@H]1CN(c2ccncc2[N+](=O)[O-])CCS1(=O)=O 2197721242 DOINOCVWGOUQHN-SECBINFHSA-N 301.280 -0.322 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F 50674482 OONQUWFZYKUDHA-RXMQYKEDSA-N 320.302 -0.271 5 10 DBBE NC(=O)[C@@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 88664392 AQHSRDOOSRKZGS-JTQLQIEISA-N 314.323 -0.957 5 10 DBBE Nc1cc(S(=O)(=O)N2CCOC[C@H]2CO)ccc1[N+](=O)[O-] 168914083 APVQDGRCSWSLPN-MRVPVSSYSA-N 317.323 -0.441 5 10 DBBE COC(=O)[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])cnc1Cl 234568499 ANZZNEDBRCNGRT-ZETCQYMHSA-N 303.658 -0.093 5 10 DBBE O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC1(O)CNC1 312243888 RGQJTXUSPDHMOJ-UHFFFAOYSA-N 321.742 -0.139 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](Cn2ccnn2)C1 597899642 CEILPCOUCLCAPJ-JTQLQIEISA-N 305.298 -0.069 5 10 DBBE CN(C)C(=O)CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599218420 OECHJEYADUKKQT-UHFFFAOYSA-N 319.343 -0.525 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cn1 706680693 MODIOGDVKYQUBS-RKDXNWHRSA-N 303.296 -0.582 5 10 DBBE O=C(NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1COCCO1 851327365 KBWHODFFJGEQSK-ZETCQYMHSA-N 317.279 -0.790 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC(=O)CN1C(=O)NC(C)(C)C1=O 1272506225 KYWDTWNVZITDNF-UHFFFAOYSA-N 310.270 -0.403 5 10 DBBE CN(C(=O)CCc1cn[nH]c1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1286016706 MLBQXYDTRRNFEU-VXGBXAGGSA-N 321.337 -0.323 5 10 DBBE CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cn1nnc(N)n1 1296874444 FLFLIXQKWVXSKV-UHFFFAOYSA-N 305.298 -0.135 5 10 DBBE CS(=O)(=O)c1ccc(NCCNC(=O)CO)c([N+](=O)[O-])c1 1525135524 CAVXWWISYPAZAH-UHFFFAOYSA-N 317.323 -0.481 5 10 DBBE Cc1nc(N(C)C[C@H](O)CN2CCOCC2)ncc1[N+](=O)[O-] 1655227123 AEODQVRWXIGUTL-NSHDSACASA-N 311.342 -0.177 5 10 DBBE CC(C)N(C)CC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737152398 GYZUISBIKBYONZ-VXGBXAGGSA-N 314.386 -0.044 5 10 DBBE NC1(CNS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)COC1 2151384404 MDNMCGJTMSQZQT-UHFFFAOYSA-N 303.296 -0.694 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(N[C@H]2CS(=O)(=O)C[C@@H]2O)[nH]1 2177958891 LNBWJPPURWKLGA-XPUUQOCRSA-N 302.312 -0.977 5 10 DBBE CN(CCNS(C)(=O)=O)c1cc(NN)ccc1[N+](=O)[O-] 2206788454 WCRRKVKCBYVKQX-UHFFFAOYSA-N 303.344 -0.134 5 10 DBBE CN(CC1(O)CNC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2287330517 LDPYAXWFRQSZNE-UHFFFAOYSA-N 301.324 -0.450 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](N)[C@H](C)O 84796991 UWVYPZQJEDRUAD-IONNQARKSA-N 319.339 -0.410 5 10 DBBE CC1(C)C(=O)NC(=O)N1CC(=O)NCCn1cc([N+](=O)[O-])cn1 428725690 PHFJZEGRNPETJQ-UHFFFAOYSA-N 324.297 -0.762 5 10 DBBE CN(C[C@H](O)C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599266419 ONQWPONRVNRPPT-VIFPVBQESA-N 304.328 -0.280 5 10 DBBE C[C@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCOC1=O 845935258 AXQKOJAGMYIQOK-JTQLQIEISA-N 301.280 -0.026 5 10 DBBE C[C@H](CS(=O)(=O)N(C)C)OC(=O)Cn1cnc([N+](=O)[O-])n1 861155581 OGWLCVCLIVRLLZ-SSDOTTSWSA-N 321.315 -0.991 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC(=O)N(CC2CC2)C1 1132834363 PYHDONKJIODGSS-SECBINFHSA-N 308.298 -0.687 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(O)nc1 1357216426 NFQQXOACKVYLII-GHMZBOCLSA-N 322.321 -0.017 5 10 DBBE Cn1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1533371401 YVPKNXAHCQUBJY-WUNPDAOYSA-N 307.310 -0.513 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](CS(N)(=O)=O)C1 1620635744 XURJFOUCPGCVKH-SNVBAGLBSA-N 317.371 -0.290 5 10 DBBE CN(C)CCn1nccc1C(=O)NCCn1cc([N+](=O)[O-])cn1 1635755652 KGKLWMVSVKHFQL-UHFFFAOYSA-N 321.341 -0.021 5 10 DBBE Cc1c(CC(=O)N2CC3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] 1637435804 QDQFQVWWXQOLCL-UHFFFAOYSA-N 318.289 -0.134 5 10 DBBE Cc1c(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1687004062 XFSPAHLBNPWADN-VXGBXAGGSA-N 323.353 -0.441 5 10 DBBE COCC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c(=O)n(C)c1 1890902164 KXXLNIBKNONIGM-ZDUSSCGKSA-N 313.310 -0.189 5 10 DBBE C[C@H](N=c1nc([N+](=O)[O-])[nH]n1C)C1CCS(=O)(=O)CC1 2159180578 LXWXBQFBSIKXRQ-ZETCQYMHSA-N 303.344 -0.230 5 10 DBBE Cc1c([N+](=O)[O-])c(=N[C@@H]2COC[C@H]2S(C)(=O)=O)[nH]n1C 2207469342 HPXLOMHZDUIREA-HTQZYQBOSA-N 304.328 -0.717 5 10 DBBE CC(C)NCCS(=O)(=O)NCc1nn(C)cc1[N+](=O)[O-] 2240631267 UDCBHHKPZWKCMA-UHFFFAOYSA-N 305.360 -0.254 5 10 DBBE CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)C[C@@H](N)C(=O)O 2286021246 PUPZXBNATGXWRN-SECBINFHSA-N 303.296 -0.227 5 10 DBBE COC(=O)[C@H](N)CS(=O)(=O)Nc1ncccc1[N+](=O)[O-] 2286024712 XVPDJUIBAQHRAF-ZCFIWIBFSA-N 304.284 -0.768 5 10 DBBE CS(=O)(=O)C[C@H](N=c1c(Cl)c[nH]cc1[N+](=O)[O-])C(=O)O 2360622158 KESOJXYBIFMLKU-LURJTMIESA-N 323.714 -0.025 5 10 DBBE CO[C@H](CN)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2365426132 DQGWASODWFIRKK-MRVPVSSYSA-N 307.303 -0.014 5 10 DBBE Cc1cc(S(=O)(=O)NC(CO)CO)cc([N+](=O)[O-])c1C 87752472 NZBOHIJLJHVLNO-UHFFFAOYSA-N 304.324 -0.157 5 10 DBBE CC(C)[C@@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O 255206892 DNAWGBOKUFFVMB-LKIYUONGSA-N 315.366 -0.315 5 10 DBBE in-vitro COC1CN(S(=O)(=O)c2ccc(NN)cc2[N+](=O)[O-])C1 312268407 MDRNERNZZUBCAS-UHFFFAOYSA-N 302.312 -0.100 5 10 DBBE CCOc1ccc(C(=O)NCC(=O)NCCO)cc1[N+](=O)[O-] 343107920 VFDOOFLZHNTXIL-UHFFFAOYSA-N 311.294 -0.168 5 10 DBBE COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCO1 343590473 WLUAGSXRMNFUJE-SECBINFHSA-N 310.266 -0.533 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2CCOC[C@@H]2C1 364883380 PBAYDESGGFEZTB-JTQLQIEISA-N 307.310 -0.391 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 532750488 UEOGCFQIDFUAHI-VIFPVBQESA-N 314.323 -0.247 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[C@]1(O)CCOC1 593811481 BBVFRWPTJPHVIP-ZDUSSCGKSA-N 311.294 -0.586 5 10 DBBE O=C(NC[C@@H]1CNC[C@@H]1O)c1cc(Cl)ncc1[N+](=O)[O-] 702810389 BVMUKUIATUATMD-RCOVLWMOSA-N 300.702 -0.047 5 10 DBBE C[C@H](O)[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 717415841 PQNGPGNLNINJMD-RCOVLWMOSA-N 308.287 -0.246 5 10 DBBE C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCN(C)CC1 1116432499 GZIHNFUYTPPHHF-SNVBAGLBSA-N 310.358 -0.306 5 10 DBBE C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 1278757229 ZTYNGSSXBCYMIM-HLTSFMKQSA-N 310.314 -0.313 5 10 DBBE COCCN(CCNC(=O)c1ccc[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1281320175 QFFXMVMGBLNGQI-ZYHUDNBSSA-N 324.337 -0.115 5 10 DBBE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1290860524 CFIZEPASASNFHO-IVZWLZJFSA-N 305.356 -0.561 5 10 DBBE C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1nncn1C 1296585477 OOVJEPNIWHUETB-VIFPVBQESA-N 320.309 -0.195 5 10 DBBE Cc1ccnn1CC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496046702 OOIUZOVIBXRJDO-GHMZBOCLSA-N 309.326 -0.569 5 10 DBBE CCCN1C[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1=O 1525886697 FVCPHTAUUCAXKP-VIFPVBQESA-N 310.314 -0.439 5 10 DBBE COc1cncc(CN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1565502390 QDKWISYORCFEKV-VXGBXAGGSA-N 321.337 -0.205 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])N1CC2(C[C@H](O)CNC2=O)C1 1634492108 KBNZCGRNZNYSCX-NSHDSACASA-N 319.317 -0.153 5 10 DBBE CC(=O)c1ccc(N2CC(NS(N)(=O)=O)C2)c([N+](=O)[O-])c1 1652131699 OVEZZRLJONISIB-UHFFFAOYSA-N 314.323 -0.221 5 10 DBBE O=C(Cn1ccnc1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1705035833 SBOAMZPPOSXDGB-COUIAZAYSA-N 307.310 -0.663 5 10 DBBE O=C(Cn1ccccc1=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720273268 RYVJKYHEJRAWHZ-GHMZBOCLSA-N 322.321 -0.864 5 10 DBBE C[C@@H](Nc1ncnc(NN)c1[N+](=O)[O-])[C@@H](C)S(C)(=O)=O 2170587599 DAAFNWFJLJALLP-PHDIDXHHSA-N 304.332 -0.096 5 10 DBBE O=[N+]([O-])c1cnc(F)[nH]c1=NC[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2174706514 UJCPCZNZXPMHDR-KVSKUHBBSA-N 302.287 -0.352 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@H]2CC[C@H]2O)n1 2240654960 WZYHVAIMFJNEED-GMSGAONNSA-N 304.328 -0.481 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=NCCS(=O)(=O)CCO 2335854846 OWSSTDBLEQMMQF-UHFFFAOYSA-N 309.731 -0.116 5 10 DBBE Nc1ccc(S(=O)(=O)NCCc2ncn[nH]2)c([N+](=O)[O-])c1 83850100 CDXMABFBTLHHST-UHFFFAOYSA-N 312.311 -0.184 5 10 DBBE O=C1NC(=O)N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@H]12 353564658 DGIKCUNGFVGJSZ-JTQLQIEISA-N 320.261 -0.323 5 10 DBBE COc1ccc(CC(=O)N2C[C@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] 1141988927 HYUDVDCFZHXLLF-PWSUYJOCSA-N 310.306 -0.043 5 10 DBBE CS(=O)(=O)[C@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 1155473636 LYMBYUDOFKJMIU-QMMMGPOBSA-N 314.323 -0.169 5 10 DBBE CCN(C)C(=O)CNCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1276002696 WRKBJILONHILIN-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c1 1449948782 OODMTLKHQUSSAT-AOOOYVTPSA-N 319.273 -0.052 5 10 DBBE CN(C(=O)C1(N(C)C)CCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1585427265 VJDVQXFOBRZMJY-VXGBXAGGSA-N 324.381 -0.195 5 10 DBBE Cc1n[nH]cc1CCCNC(=O)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1629113940 RBUJNARNHMHJES-VXGBXAGGSA-N 323.353 -0.062 5 10 DBBE O=C1NCCC2(CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)O1 1639750180 RDEHGMBESQDXOK-UHFFFAOYSA-N 309.282 -0.108 5 10 DBBE NCC1(O)CN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 2154726571 OGLZKQDUROWAQW-UHFFFAOYSA-N 321.742 -0.058 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1CCC(=O)N(C)C 2156819753 FCZFHIDQGQDDSL-UHFFFAOYSA-N 305.316 -0.775 5 10 DBBE C[C@H](C(=O)N1CCC1)n1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156821620 UFBUHVWUINQQSD-ZCFIWIBFSA-N 303.300 -0.768 5 10 DBBE O=[N+]([O-])c1cnc(N2CC3(C2)OC[C@@H](O)[C@@H]3O)c(Cl)c1 2183718025 QNXXABTUUBLFRP-BDAKNGLRSA-N 301.686 -0.046 5 10 DBBE O=C(O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302109 DNNCOJNUCLSUPA-SVRRBLITSA-N 317.279 -0.802 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] 596620312 DKRXJDBXDZRTQV-SKDRFNHKSA-N 322.321 -0.156 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 1175346538 VEUDYRYFQMKNQW-UHFFFAOYSA-N 310.262 -0.037 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 1320057940 HQYLEYFFEJSHDR-ZETCQYMHSA-N 306.286 -0.139 5 10 DBBE COC(=O)[C@H]1CSCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 1439292056 OZHGADPQZSXZBB-SECBINFHSA-N 314.323 -0.092 5 10 DBBE O=C1CC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C(=O)N1 1623448604 DYVYGGHTZTZUMD-ONGXEEELSA-N 307.262 -0.450 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCn2nccc2C1 1641881832 LTEFZMWMSCDSHA-UHFFFAOYSA-N 303.278 -0.005 5 10 DBBE COc1nccc(CN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1642855815 FTCQQLYEWOFPLI-VXGBXAGGSA-N 321.337 -0.205 5 10 DBBE CNc1nccc(C(=O)N2CC[C@@](O)(C(=O)OC)C2)c1[N+](=O)[O-] 1650954385 DUQJOWIDVRHWNV-ZDUSSCGKSA-N 324.293 -0.219 5 10 DBBE CCN(C(=O)Cn1ccnc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1656812320 FYUVDQPBNOZFRP-VIFPVBQESA-N 316.339 -0.173 5 10 DBBE Cc1[nH]c(=NC[C@H](O)C(N)=O)c(Br)cc1[N+](=O)[O-] 1963087932 VYGRUGKMTFSFGP-ZETCQYMHSA-N 319.115 -0.259 5 10 DBBE NNc1cccc(S(=O)(=O)N2CC[C@@H]2CO)c1[N+](=O)[O-] 2148958572 ONNRQCUKAWUDKF-SSDOTTSWSA-N 302.312 -0.364 5 10 DBBE NC1(CNS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])COC1 2151383348 HKBXOCWHNXQLIW-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE NC[C@]1(CO)COCCN1c1nc(Cl)ncc1[N+](=O)[O-] 2162789818 KPPMNTXRQFPVEG-JTQLQIEISA-N 303.706 -0.435 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@]2(CO)CCNC2)c1 2190273294 ILZIUCYIGINOLF-LLVKDONJSA-N 301.324 -0.403 5 10 DBBE Cc1[nH]ccc(=N[C@@H]2CNC[C@@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2192656209 JWGIOONSYIPGAG-ZJUUUORDSA-N 300.340 -0.483 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 2192677844 PHUTUDDFFNNUEN-SVRRBLITSA-N 303.296 -0.697 5 10 DBBE Cc1c([N+](=O)[O-])ccnc1CS(=O)(=O)C[C@@H](N)C(=O)O 2195334516 VEHAVQBEMVTPMR-SSDOTTSWSA-N 303.296 -0.375 5 10 DBBE CS(=O)(=O)N1CC(CN=c2[nH]cnc(Cl)c2[N+](=O)[O-])C1 2233068128 FLQYPHYPFZRSEV-UHFFFAOYSA-N 321.746 -0.237 5 10 DBBE C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)O 21059984 XLDGOWJWFXHCKC-ANLVUFKYSA-N 322.270 -0.154 5 10 DBBE O=Cc1cc([N+](=O)[O-])ccc1O[C@H]1CS(=O)(=O)C[C@@H]1O 37693045 RKRRVKKSPICWJO-ONGXEEELSA-N 301.276 -0.056 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)NC1CC1 50657924 PSCXHTICRFFRTG-UHFFFAOYSA-N 314.323 -0.266 5 10 DBBE NNc1cc(C(=O)NCCOC(N)=O)c([N+](=O)[O-])cc1F 135282660 HDTQPJSJPPPKMW-UHFFFAOYSA-N 301.234 -0.155 5 10 DBBE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@](O)(C(N)=O)C1 276487647 UNSWWZHDGXQOTK-OTYXRUKQSA-N 322.321 -0.156 5 10 DBBE CCN(CC(=O)N(C)C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599216819 XBGHBXWIHUVJMA-UHFFFAOYSA-N 319.343 -0.573 5 10 DBBE CNS(=O)(=O)CCCNC(=O)c1ccc([N+](=O)[O-])cn1 600666125 KOSQQJNYDMDWAT-UHFFFAOYSA-N 302.312 -0.341 5 10 DBBE O=C(NS(=O)(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] 750723219 BMRZKXYSZIFMEW-UHFFFAOYSA-N 315.307 -0.098 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CN(C2CC2)C(=O)O1 847265378 BDUJUMZEBHHVQQ-SECBINFHSA-N 309.282 -0.109 5 10 DBBE CCn1nnc(C)c1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 1458890729 DZGBAZHQHLQPLQ-UHFFFAOYSA-N 306.282 -0.176 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC(C)(C)O 1496739608 KWBPXJJPCODAOL-NXEZZACHSA-N 301.343 -0.223 5 10 DBBE O=C(CCc1ccon1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1575822211 KIIKGURPNQBKLK-GHMZBOCLSA-N 310.310 -0.105 5 10 DBBE O=C1NC(=O)C2(CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)N1 1587947180 GWVQJSZMBTXMTO-UHFFFAOYSA-N 319.277 -0.196 5 10 DBBE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 1625088739 QGISMVKRZBPDBS-MWLCHTKSSA-N 314.319 -0.069 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1637371166 TVLDCYHNXJKKLZ-VXNVDRBHSA-N 309.282 -0.942 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1CCNC1=O 1732581594 HRCQZMPCNZFIAN-GHMZBOCLSA-N 313.358 -0.933 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1ccc(C)n1 1759001220 FGPLVIQVGBNABU-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@H]2C1=O 1889746094 RZNIWZGYLJIJAX-RKDXNWHRSA-N 304.262 -0.323 5 10 DBBE Cn1nnc(Br)c1CN=c1nc([N+](=O)[O-])[nH]n1C 2041243296 OIVZYYLUKYULTI-UHFFFAOYSA-N 317.107 -0.352 5 10 DBBE C[C@@H]1[C@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 2126120752 WPBKRXPKCYSFSX-INEUFUBQSA-N 308.341 -0.304 5 10 DBBE N[C@H]1COCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2148816649 SJRZCGLOJXJDTB-WDEREUQCSA-N 301.324 -0.011 5 10 DBBE CN(c1nccc(C(=O)O)c1[N+](=O)[O-])C1CS(=O)(=O)C1 2152244559 IWDAQCAYLNIZPC-UHFFFAOYSA-N 301.280 -0.079 5 10 DBBE C[S@@](=O)(=NC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCNCC1 2153860616 DXONOKFBUIYZMW-HXUWFJFHSA-N 301.328 -0.019 5 10 DBBE CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 2177282557 HKWNBBNEBSTGGA-IYSWYEEDSA-N 323.352 -0.069 5 10 DBBE CS(=O)(=O)[C@H]1CCN(c2ncnc(NN)c2[N+](=O)[O-])C1 2179894322 QBZINISFCPJNDH-LURJTMIESA-N 302.316 -0.706 5 10 DBBE NS(=O)(=O)c1cn(C[C@]23CCOC[C@@H]2C3)nc1[N+](=O)[O-] 2194491758 FPCUQMDRNSRKAJ-OIBJUYFYSA-N 302.312 -0.135 5 10 DBBE CCCS(=O)(=O)CCN=c1[nH]c(NN)ncc1[N+](=O)[O-] 2204665926 YRTVFUPDYURGIT-UHFFFAOYSA-N 304.332 -0.671 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN[C@@H]2COC[C@H]2S(C)(=O)=O)n1 2207465133 KXYHPQITYJNKDR-PSASIEDQSA-N 304.328 -0.770 5 10 DBBE Cc1[nH]ccc(=N[C@@H]2COC[C@@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2207474088 OLYZUAVADGGNJG-ZJUUUORDSA-N 301.324 -0.056 5 10 DBBE CO[C@]1(CN=c2[nH]cncc2[N+](=O)[O-])CCS(=O)(=O)C1 2235296626 MLRAJQDSYCCWEW-JTQLQIEISA-N 302.312 -0.578 5 10 DBBE O=C(O)[C@@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131137542 DHHWBLZJTLPFIQ-MRVPVSSYSA-N 322.270 -0.152 5 10 DBBE Cc1c([N+](=O)[O-])cn(C[C@@H](N)C(N)=O)c(=O)c1Br 165358027 MDITUHHLIKCRKQ-RXMQYKEDSA-N 319.115 -0.360 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] 323441021 SNQXESKMXQSNCC-PSASIEDQSA-N 303.296 -0.785 5 10 DBBE COC(=O)c1cnc(N(C)Cc2nnnn2C)c([N+](=O)[O-])c1 357700590 VEPMJJLRAYUJPT-UHFFFAOYSA-N 307.270 -0.064 5 10 DBBE CCNC(=O)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCC1 489701555 KMWBIQYQUUTNLX-UHFFFAOYSA-N 310.314 -0.391 5 10 DBBE C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594791979 BHTGGRHHBCFTCH-SSDOTTSWSA-N 300.296 -0.202 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2COC(C)(C)OC2)n1 859105776 PELVNJJNYUIVTA-UHFFFAOYSA-N 320.327 -0.242 5 10 DBBE CC(C)(NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1CCCC1 1339744562 FWNLEMYVMAKCMK-UHFFFAOYSA-N 310.314 -0.297 5 10 DBBE CC(C)(CCC(=O)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1)[N+](=O)[O-] 1632876194 FVOHCRQXHPFDOD-YJFSRANCSA-N 323.305 -0.209 5 10 DBBE CONC(=O)C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 1637438269 MPOSGCGZBPMEPJ-UHFFFAOYSA-N 311.298 -0.293 5 10 DBBE C[S@](=N)(=O)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1644174030 PGIRGUKETNNOFE-HXUWFJFHSA-N 302.316 -0.333 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnnc(O)c1 1745107345 VACJLCHWGYHYJQ-RKDXNWHRSA-N 309.282 -0.964 5 10 DBBE CS(=O)(=O)C[C@H]1CCN(c2ncnc(N)c2[N+](=O)[O-])C1 2143675833 ATQHVHVRUJVJBA-ZETCQYMHSA-N 301.328 -0.162 5 10 DBBE Nc1cc(S(=O)(=O)N2C[C@H](F)[C@H](O)C2)ccc1[N+](=O)[O-] 2149265844 FIZBFZPWDKHZJU-OIBJUYFYSA-N 305.287 -0.120 5 10 DBBE CNC(=O)C1(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CC1 2159813380 VPHQMSRWVGETMF-UHFFFAOYSA-N 320.352 -0.205 5 10 DBBE CO[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 2188225886 YOWRWHMXKRXMSF-CBAPKCEASA-N 302.312 -0.054 5 10 DBBE COCC[S@](=O)CCN=c1[nH]c(=N)[nH]c(C)c1[N+](=O)[O-] 2207029911 QVNMZPOTUCPYGM-HXUWFJFHSA-N 303.344 -0.665 5 10 DBBE CCn1ncc([N+](=O)[O-])c1N[C@@H]1CNC[C@@H]1S(C)(=O)=O 2240579628 RFLBNMUJMRWATG-APPZFPTMSA-N 303.344 -0.392 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]1[C@H](O)CO 2286221368 RXXVKUWJCJOCSK-WCBMZHEXSA-N 302.308 -0.289 5 10 DBBE O=[N+]([O-])c1c(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)ccnc1Cl 2289398025 HXCGVXFJDPTEDD-HKPALBBZSA-N 303.702 -0.207 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-])C(N)=O 35796756 JKYQMFXODKUVAY-RXMQYKEDSA-N 303.300 -0.968 5 10 DBBE C[C@H](O)CN(C)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 51840042 UKFPCWIVYNPLOA-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE CCn1c(O)nnc1[S@](=O)CCn1cc([N+](=O)[O-])cn1 178744027 BHLTWFUUQSQARP-HXUWFJFHSA-N 300.300 -0.084 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](O)C(N)=O 227837827 KXLRYQSAAZPUSC-QMMMGPOBSA-N 303.296 -0.972 5 10 DBBE Cc1ccc(NCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)nc1 443588739 DMQXNHBDEQIIDE-UHFFFAOYSA-N 319.325 0.508 5 10 DBBE COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594797484 YAZBLEJWTJOLLT-RKDXNWHRSA-N 317.323 -0.240 5 10 DBBE Nc1cc(NCC(=O)N2CCOCC2)cc(CO)c1[N+](=O)[O-] 615994409 CPSNKJKBONPHPP-UHFFFAOYSA-N 310.310 -0.060 5 10 DBBE CNC(=O)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCO1 615995053 SDWWBKHAAVLRRE-NSHDSACASA-N 310.310 -0.380 5 10 DBBE COc1cccc([N+](=O)[O-])c1C(=O)NCCS(N)(=O)=O 701336656 MMQJVVVPYZIVIN-UHFFFAOYSA-N 303.296 -0.378 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2NCCO[C@@H]2C1 725372921 CLQZMXASILETRA-GXSJLCMTSA-N 313.335 -0.044 5 10 DBBE CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H](C)CS(C)(=O)=O 1116049487 WXIMEDZEQVCDNW-MRVPVSSYSA-N 319.343 -0.532 5 10 DBBE Cc1[nH]nc(C(=O)N2CC(O)(c3nccn3C)C2)c1[N+](=O)[O-] 1302973256 NJODTMYJIYLFOM-UHFFFAOYSA-N 306.282 -0.297 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCN(C(=O)N3CCOCC3)CC2)n1 1458083375 GJNWUALRQSKNPI-UHFFFAOYSA-N 324.341 -0.098 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN([S@@](C)(=N)=O)CC1 1471729986 XJGFUHRVDAGAEB-OAQYLSRUSA-N 316.343 -0.322 5 10 DBBE O=C1NC(=O)C2(CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)N1 1472358171 LAQSFRAOMGQBKF-UHFFFAOYSA-N 318.289 -0.052 5 10 DBBE CCCn1nccc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1491282200 IBWHRBUOUSVKIA-MWLCHTKSSA-N 309.326 -0.196 5 10 DBBE CCN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)CC(N)=O 1497369105 XURYLBJIIXVAGE-UHFFFAOYSA-N 312.330 -0.858 5 10 DBBE Cc1[nH]nc(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)c1[N+](=O)[O-] 1629875999 WFTXCXGMLAZQFQ-SECBINFHSA-N 321.297 -0.241 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(O)(c2cnnn2C)C1 1633067724 LAWUESYYRHJVBH-UHFFFAOYSA-N 318.293 -0.230 5 10 DBBE CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cnon1 1733134407 IEOYINHVCBAGGW-UHFFFAOYSA-N 323.313 -0.037 5 10 DBBE Cc1ccc(S(=O)(=O)N2CC(O)(CO)C2)cc1[N+](=O)[O-] 2171956030 DFRUIYINQOCEBU-UHFFFAOYSA-N 302.308 -0.369 5 10 DBBE CO[C@H]1COC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 2177282556 HKWNBBNEBSTGGA-FSPLSTOPSA-N 323.352 -0.069 5 10 DBBE O=[N+]([O-])c1cc(Cl)cnc1N1CC2(C1)OC[C@@H](O)[C@@H]2O 2183727998 MNANXZJZEDXLTR-BDAKNGLRSA-N 301.686 -0.046 5 10 DBBE N[C@@H](CS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)O 2195337511 WCTRWQZXWOZRMW-VIFPVBQESA-N 302.308 -0.036 5 10 DBBE COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 35219863 MAGJYHYUAREWKS-QMMMGPOBSA-N 322.270 -0.454 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 124436212 QTIACIFBWBSJIN-UHFFFAOYSA-N 303.300 -0.876 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCc2ncnn2C1 152757701 NZWLJHODEVUEOR-SECBINFHSA-N 320.313 -0.303 5 10 DBBE CN1C[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C(=O)N1 362979898 LUGWVAXQIITHCB-SNVBAGLBSA-N 314.248 -0.123 5 10 DBBE N[C@H]1CCOC[C@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 721927469 VIKQFFDHZUIBJN-VHSXEESVSA-N 302.312 -0.616 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)CO 722300079 UXLTWPAGSMRUCI-WKEGUHRASA-N 305.312 -0.803 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C[C@@H](C)O)[C@H](C)CO 1161163592 FTGDIYUAZDSNCL-RKDXNWHRSA-N 300.315 -0.310 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCS(C)(=O)=O 1496702469 SJTCOTJQIOUTHL-NXEZZACHSA-N 307.372 -0.914 5 10 DBBE COC1(OC)CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1O 1560103118 HETJRDUSLOZSGL-SNVBAGLBSA-N 300.315 -0.153 5 10 DBBE CN(C(=O)CCc1cnn[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1585530116 GAAAKAJSBHKMAP-GHMZBOCLSA-N 322.325 -0.928 5 10 DBBE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC([N+](=O)[O-])C1 1900051869 LJTNHYBPRRXLQZ-VIFPVBQESA-N 303.315 -0.250 5 10 DBBE O=[N+]([O-])c1ccc(O)cc1NS(=O)(=O)C1CS(=O)(=O)C1 1917945340 RRJGMVFSYWDIPX-UHFFFAOYSA-N 322.320 -0.161 5 10 DBBE CN(CC(=O)O)S(=O)(=O)NCc1cccc([N+](=O)[O-])c1 1968596188 RIRWSUWJXRHLTF-UHFFFAOYSA-N 303.296 -0.054 5 10 DBBE C[S@@](=O)C1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N)C1 2171957690 UEWPTTKECBRXCT-LJQANCHMSA-N 319.364 -0.072 5 10 DBBE CN(CCC(=O)O)S(=O)(=O)N=c1cc[nH]cc1[N+](=O)[O-] 2202429092 FUSYJCQVKXIZHN-UHFFFAOYSA-N 304.284 -0.525 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@H](N)[C@@H](C)O)cc1[N+](=O)[O-] 80748794 BWZKHJNIDFGFFV-APPZFPTMSA-N 319.339 -0.410 5 10 DBBE O=[N+]([O-])c1ccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1 100820226 IXFOBQXJWRLXMD-OOCWMUITSA-N 317.319 -0.513 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1COC[C@H]1O 323356615 AMEXHZCAPAXPMA-VXNVDRBHSA-N 303.296 -0.785 5 10 DBBE CS(=O)(=O)c1ccc(N2CC(O)(CO)C2)c([N+](=O)[O-])c1 594581189 NOUNODPMWFEQHM-UHFFFAOYSA-N 302.308 -0.458 5 10 DBBE CN(C[C@H]1CCOC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599252547 QSISIJYRLKEONC-MRVPVSSYSA-N 304.328 -0.015 5 10 DBBE COC[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])OC 599270645 AGYXYSLRDKPDLS-SSDOTTSWSA-N 308.316 -0.732 5 10 DBBE C[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600655032 GJJHRWIINGYHAW-RQJHMYQMSA-N 318.311 -0.188 5 10 DBBE CN(CCS(N)(=O)=O)c1nc(C(=O)O)ccc1[N+](=O)[O-] 719722722 SXKGIHBZDOIVLA-UHFFFAOYSA-N 304.284 -0.587 5 10 DBBE CC(C)(CCS(C)(=O)=O)NC(=O)Cn1cnc([N+](=O)[O-])n1 1323315616 PFBOABMZECRDJX-UHFFFAOYSA-N 319.343 -0.484 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(=O)NCC12COC2 1462452259 PKTKJMBCJHXQQN-UHFFFAOYSA-N 323.309 -0.783 5 10 DBBE CNC(=O)CN(CC(=O)NC)C(=O)c1cc([N+](=O)[O-])cc(C)n1 1594603363 LVPKRLPMJSIPFX-UHFFFAOYSA-N 323.309 -0.768 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)Cc2cnn(C)c2)n1 1639488004 RCESIMREEQNPOO-JTQLQIEISA-N 322.325 -0.122 5 10 DBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1C[C@H](O)[C@H](O)C1 1645877757 APJQUIZIINUOIE-YSCVYTRNSA-N 320.305 -0.055 5 10 DBBE CN(CC(CO)CO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2150416469 TXHHDVDBJCFWAG-UHFFFAOYSA-N 304.324 -0.184 5 10 DBBE CNCC[S@](C)(=O)=NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2161171453 SGNDNLZALKSEDO-IBGZPJMESA-N 322.368 -0.004 5 10 DBBE N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2168108015 ARRRFXLIMVHAGH-APPZFPTMSA-N 302.312 -0.928 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NC2(CO)COC2)c1 2189263792 IIBQUBXKIVOVKG-UHFFFAOYSA-N 306.271 -0.227 5 10 DBBE COC(=O)[C@H](N)CC[S@](=O)Cc1nn(C)cc1[N+](=O)[O-] 2195299521 UUDDUIAEIZMKOP-GLEHDBDLSA-N 304.328 -0.533 5 10 DBBE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ncnc(Cl)c1[N+](=O)[O-] 2234068327 OVSYCFRJGGJALM-GKROBHDKSA-N 304.690 -0.405 5 10 DBBE CCCN=c1cccc(S(=O)(=O)N2CC([N+](=O)[O-])C2)[nH]1 2236899897 HGGJCYLAPKJQOB-UHFFFAOYSA-N 300.340 -0.025 5 10 DBBE NC(=O)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50660262 RBHMCNDPNCPYJI-UHFFFAOYSA-N 302.312 -0.279 5 10 DBBE Cc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1O[C@H](C)C(N)=O 123200959 NSGHELBVUPLQDA-ZCFIWIBFSA-N 303.296 -0.197 5 10 DBBE CN1CCO[C@@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]21 284455902 KYRQJGKIZFXYAG-GHMZBOCLSA-N 309.326 -0.277 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C(=O)CC[C@H]2C1 345175225 QJFKJQSPTWGCKB-QMMMGPOBSA-N 305.294 -0.100 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(OCCO)cc1 356146768 GDVYNXPFZUVZAL-UHFFFAOYSA-N 321.293 -0.126 5 10 DBBE COC[C@@H]1C[C@@H](O)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 593381517 HKLFAHYZXUGISQ-GXSJLCMTSA-N 313.314 -0.418 5 10 DBBE COC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)OC 593571692 ACQXMCRFDZLMBN-MRVPVSSYSA-N 319.295 -0.544 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CNC[C@H]2O)cc1 702789185 MDCPWNKFZNXMKJ-LDYMZIIASA-N 301.324 -0.547 5 10 DBBE CCOC(=O)C1=CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 862871749 CUBLLMMWUNGVHI-SECBINFHSA-N 309.282 -0.046 5 10 DBBE COC(COCCNC(=O)c1nn(C)cc1[N+](=O)[O-])OC 1447846266 YKIJFYJJLZZRDW-UHFFFAOYSA-N 302.287 -0.306 5 10 DBBE CCNC(=O)CC(=O)NCCN(CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688395033 UJLCEBVAJNOYMJ-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE COc1cc(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 1757986500 VGLXKXFYXLTOCO-GHMZBOCLSA-N 322.321 -0.470 5 10 DBBE CC(C)C(=O)N1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1758571240 PZHYRMLHIWYCKZ-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE NS(=O)(=O)C1CN(c2ccc([N+](=O)[O-])c(C(=O)O)c2)C1 1915001299 NQNHDBROGDPIJZ-UHFFFAOYSA-N 301.280 -0.230 5 10 DBBE C[C@H](O)[C@H](CO)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2174124815 ZFFCVZHPRSCQCX-KWQFWETISA-N 304.324 -0.244 5 10 DBBE CNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC 50654607 KQOCINPLLWHUPG-UHFFFAOYSA-N 302.312 -0.339 5 10 DBBE Cn1cnc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)n1 236137183 LMYRRKRVUHDAKK-UHFFFAOYSA-N 318.340 -0.155 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCC(=O)N=c2cc[nH]cc2)n1 345426566 JZRHUVYRHLVYJY-UHFFFAOYSA-N 318.293 -0.096 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)OCC[C@H]3C2)n1 494590385 ORGCZDATIJNZON-QMMMGPOBSA-N 309.282 -0.005 5 10 DBBE CCNC(=O)CN(CC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599204328 DBLBOAOMLJBVDQ-UHFFFAOYSA-N 319.343 -0.525 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCSCCCO)n1 599242911 CLTHYHBEDZQOOJ-UHFFFAOYSA-N 324.384 -0.278 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc(N)ccc1[N+](=O)[O-] 696997425 RQQDAGZWGJYOGP-HTRCEHHLSA-N 302.312 -0.204 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCO[C@@H]2CNC[C@@H]21 725374221 KPKPPWPRPVLCJT-WDEREUQCSA-N 313.335 -0.044 5 10 DBBE NC(=O)CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1=O 839177539 MLGJMMABAHLYRB-UHFFFAOYSA-N 310.285 -0.137 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 848306797 JWFCRADHKJIYHT-BFHYXJOUSA-N 321.333 -0.094 5 10 DBBE NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 1319556136 CMILLFHTYOARBP-VIFPVBQESA-N 314.323 -0.117 5 10 DBBE C[C@H]1C(=O)N(C)S(=O)(=O)N1Cc1cn(C)nc1[N+](=O)[O-] 1473021612 KYLHSGLLXLQNCV-LURJTMIESA-N 303.300 -0.764 5 10 DBBE CN(CCOCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(C)F 1510195333 PUQSLGIMBNSTCB-NXEZZACHSA-N 319.333 -0.009 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCCS1(=O)=O 1532888756 CUFFMFANUMZROL-VIFPVBQESA-N 316.339 -0.207 5 10 DBBE CC[C@@H]1C(=O)NCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1560166582 KSTOQSBYZMKAFU-VXGBXAGGSA-N 311.342 -0.247 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCCCCS(C)(=O)=O 1570506552 NKIFFVOVZKSXON-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE O=C(c1cccc([N+](=O)[O-])c1O)N1CC2(C[C@@H](O)CNC2=O)C1 1638018868 LZYTZWXKEOOIMQ-MRVPVSSYSA-N 321.289 -0.377 5 10 DBBE CN=c1[nH]c(N=[S@@](C)(=O)[C@@H]2CCNC2)ncc1[N+](=O)[O-] 2173820845 QOFBMYFEQSTICB-GLEHDBDLSA-N 300.344 -0.060 5 10 DBBE Cc1nc(CS(=O)(=O)C[C@@H](N)C(=O)O)ccc1[N+](=O)[O-] 2195331055 RWFIXZVRQIPHFG-MRVPVSSYSA-N 303.296 -0.375 5 10 DBBE C[C@H](O)[C@H](N)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 80754665 TWPIURHRCMUXST-POYBYMJQSA-N 304.328 -0.638 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CN2CCN1CC2 178655821 PGWQDWOKCDKZAX-NSHDSACASA-N 308.342 -0.784 5 10 DBBE C[C@H]1CS(=O)(=O)CCN1c1ncnc(NN)c1[N+](=O)[O-] 228888493 OQJREUVYBLZHII-LURJTMIESA-N 302.316 -0.706 5 10 DBBE NNc1ncnc(NCCCCS(N)(=O)=O)c1[N+](=O)[O-] 312588593 WYRPSQPWYRKOOL-UHFFFAOYSA-N 305.320 -0.849 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2COC[C@H]2O)c1 323475761 YXAKGVBWQVRQHG-IONNQARKSA-N 303.296 -0.785 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2(C)CCCNC2)n1 599107478 LKUOSFFNIHIBQV-LLVKDONJSA-N 317.371 -0.004 5 10 DBBE Cc1cc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n(C)n1 599302089 DQSHFWQHOBZSBF-UHFFFAOYSA-N 314.327 -0.151 5 10 DBBE CS(=O)(=O)[C@@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 1155473633 LYMBYUDOFKJMIU-MRVPVSSYSA-N 314.323 -0.169 5 10 DBBE O=C1NCCC2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)O1 1439772647 IDOWCPIUXMFJPY-UHFFFAOYSA-N 324.297 -0.323 5 10 DBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC/C=C/CO 1453109318 JAABKYLWDAXRDJ-OWOJBTEDSA-N 319.273 -0.145 5 10 DBBE NC(=O)c1ncn(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)n1 1514966210 KBRULVDAHHXCMM-UHFFFAOYSA-N 316.277 -0.172 5 10 DBBE CN(C)C[C@@]1(O)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 1558042535 DIDQPUJPLJLDKY-ZDUSSCGKSA-N 309.326 -0.289 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(n2cncn2)C1 1628064690 WWZMFAYXMWJZFW-UHFFFAOYSA-N 304.266 -0.569 5 10 DBBE CCN1C(=O)[C@H]2CN(c3c([N+](=O)[O-])cnn3C)CCN2C1=O 1650829403 YMBORBZYJPYRKK-SECBINFHSA-N 308.298 -0.199 5 10 DBBE O=C(CCn1cccn1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721797187 TYFUPXRINWMKES-JZIZGNRHSA-N 321.337 -0.273 5 10 DBBE NC(=O)C1(Oc2ncc(Br)cc2[N+](=O)[O-])CNC1 2056346724 SWSFYUHHZLNQSD-UHFFFAOYSA-N 317.099 -0.042 5 10 DBBE C[C@H](NS(=O)(=O)c1cncc([N+](=O)[O-])c1)[C@@H](O)C(=O)O 2176840529 HLFCPNQHDJSIFT-YLWLKBPMSA-N 305.268 -0.898 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N=[S@@]2(=O)CC[C@@H](CN)C2)n1 2186528804 XYPNKUCEZKEFKB-SVWIBVJCSA-N 301.328 -0.085 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1N=c1ccc([N+](=O)[O-])c(N)[nH]1 2207471964 SLNNUHIJAVMWTG-SVRRBLITSA-N 302.312 -0.782 5 10 DBBE NNc1cc(S(=O)(=O)N2CC[C@@H](O)C2)ccc1[N+](=O)[O-] 131321585 XSEZEVXWRGWLCX-SSDOTTSWSA-N 302.312 -0.364 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1CO 168911001 NXDJWCJWNJQRKK-VIFPVBQESA-N 317.323 -0.441 5 10 DBBE Cc1nc(N)nc(N2CCCS(=O)(=O)CC2)c1[N+](=O)[O-] 235975016 WHWNVXWFPBNDMR-UHFFFAOYSA-N 301.328 -0.100 5 10 DBBE NNc1ncnc(N2C[C@H]3C[C@H]2CS3(=O)=O)c1[N+](=O)[O-] 321831698 ZGAOZYCEVXGXSJ-NTSWFWBYSA-N 300.300 -0.954 5 10 DBBE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1C(=O)O 600654218 UZLJPQGWPVVHIJ-POYBYMJQSA-N 318.311 -0.188 5 10 DBBE COc1nn(C)cc1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600655138 JIPMBZJOOSOOFQ-UHFFFAOYSA-N 316.299 -0.129 5 10 DBBE Nc1cc(S(=O)(=O)N[C@@H]2CCNC2=O)ccc1[N+](=O)[O-] 693959227 IOVPPGFWPZGUIN-MRVPVSSYSA-N 300.296 -0.656 5 10 DBBE CO[C@]1(CNc2c([N+](=O)[O-])ncn2C)CCS(=O)(=O)C1 721220738 XZCOVYKKDHQGCL-JTQLQIEISA-N 304.328 -0.056 5 10 DBBE O=C(NN1CCS(=O)(=O)CC1)c1cccc(O)c1[N+](=O)[O-] 862731746 CIRQGNGVAGBXCU-UHFFFAOYSA-N 315.307 -0.324 5 10 DBBE COCCN1CC[C@H](NC(=O)Cn2c([N+](=O)[O-])cnc2C)C1 1147026347 HVDUUZQMGGZWPT-NSHDSACASA-N 311.342 -0.063 5 10 DBBE CCOCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1283976978 AAGBHUKFMFQANH-NNYUYHANSA-N 311.338 -0.110 5 10 DBBE O=C(Cc1ncc[nH]1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1297255547 IXTZPSHFBXCISR-NXEZZACHSA-N 307.310 -0.808 5 10 DBBE COC1CCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1319116369 AAMGXFAWUFJTLA-UHFFFAOYSA-N 312.330 -0.587 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N(CCO)Cc1cccnc1 1323133764 CGSQPHGVRJVZQN-UHFFFAOYSA-N 306.282 -0.398 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCS(=O)(=O)CC1CC1 1324009476 RKJGMXUOIUQJLT-UHFFFAOYSA-N 317.327 -0.873 5 10 DBBE COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1338545717 AQQGOPQRBLGCSV-PSASIEDQSA-N 312.282 -0.533 5 10 DBBE CS(=O)(=O)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1445446134 PKALJTJXNAHNKS-UHFFFAOYSA-N 317.327 -0.778 5 10 DBBE CCc1[nH]nc(C(=O)N[C@H]2CCO[C@H]2C(=O)OC)c1[N+](=O)[O-] 1453054370 ISRFJJVLDAMUBY-OIBJUYFYSA-N 312.282 -0.059 5 10 DBBE O=C(N[C@@H]1CC[C@H]1O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1636608882 IIHBCGIRBVYUFW-MWLCHTKSSA-N 304.266 -0.176 5 10 DBBE CC(=O)N1CCN(C(=O)Cn2ccc(N)c([N+](=O)[O-])c2=O)CC1 1641272205 RRQZAWMYBCLSRP-UHFFFAOYSA-N 323.309 -0.971 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(C[C@H]2CCC3(COC3)O2)c1=O 1643621593 JHNFDXZKSCVXGO-SECBINFHSA-N 309.278 -0.197 5 10 DBBE CCN(C)C(=O)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1691144391 RJROXVFNULLDMO-DDHJBXDOSA-N 312.370 -0.386 5 10 DBBE Cc1ccc(OC2(C(=O)O)CS(=O)(=O)C2)c([N+](=O)[O-])n1 2145036431 ZJTYMULJVCHQDO-UHFFFAOYSA-N 302.264 -0.071 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(N2CC(S(=O)(=O)NC)C2)[nH]1 2187306365 VUAQKFFDFBKSGY-UHFFFAOYSA-N 301.328 -0.809 5 10 DBBE Cc1cc([N+](=O)[O-])c(NCCNS(N)(=O)=O)cc1NN 2206797602 ILSNDSNCPDJGNX-UHFFFAOYSA-N 304.332 -0.606 5 10 DBBE Cc1ncc(S(=O)(=O)NCc2nn(C)cc2[N+](=O)[O-])[nH]1 2240636313 UJOZPKOGAIEXMG-UHFFFAOYSA-N 300.300 -0.162 5 10 DBBE CC(=O)N[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 81133426 AHUQVXPSDKRENO-SNVBAGLBSA-N 316.291 -0.042 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 110669042 IBWWCYGMYLVUBM-ZETCQYMHSA-N 315.307 -0.191 5 10 DBBE NS(=O)(=O)CCS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 302669835 LBTRMJJTBWZKMP-UHFFFAOYSA-N 312.300 -0.204 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1COC[C@H]1O 323439309 SCLJNPMJYLIGIB-DTWKUNHWSA-N 303.296 -0.785 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(F)(F)C[C@@H]2CO)c1 366678153 LQLSVEUINIYHAG-PSASIEDQSA-N 306.269 -0.146 5 10 DBBE C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H](C)N1CCO 450792611 OGISGGGGFHBUEN-AOOOYVTPSA-N 323.353 -0.020 5 10 DBBE NC(=O)[C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594745534 USRWIRXAMPSHAR-QMMMGPOBSA-N 314.323 -0.124 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2nccnn2)CC1 600184032 JVWGJLJPYLYVHI-UHFFFAOYSA-N 318.297 -0.675 5 10 DBBE C[C@H]1C[C@H](C(=O)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CO1 861326540 JYUUAUDQVSBDEZ-BQBZGAKWSA-N 318.311 -0.442 5 10 DBBE C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)[S@]1=O 1116747096 FFNVJDMNYJDGDH-OMSYJELOSA-N 301.328 -0.446 5 10 DBBE Cc1nc(N2CCN(S(N)(=O)=O)CC2)ncc1[N+](=O)[O-] 1458557286 NPEQRKZRJQEHRW-UHFFFAOYSA-N 302.316 -0.981 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 1467810865 GELNXIYFNVUEFF-VXGBXAGGSA-N 323.353 -0.233 5 10 DBBE C[C@@H](O)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1 1626328779 RPGCSVRTXRQQRM-KOLCDFICSA-N 311.294 -0.635 5 10 DBBE CN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](CO)C1 1634202236 FMALSONDLWWSDW-QWHCGFSZSA-N 309.322 -0.237 5 10 DBBE COC[C@@H]1COCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 1644624541 LVYXRWRNKLUUHG-NEPJUHHUSA-N 300.315 -0.501 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(CO)C1 2148957869 IEEIWIAKHBCBLS-UHFFFAOYSA-N 302.312 -0.507 5 10 DBBE C[P@@]1(=O)C[C@@H](N=c2cc([N+](=O)[O-])cc(NN)[nH]2)[C@@H](O)C1 2177956159 PZXLNUYHMXCFEB-SMPFOWEGSA-N 301.243 -0.155 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1Nc1ncnc(F)c1[N+](=O)[O-] 2207471784 RMOLTEMJFGFMBT-PHDIDXHHSA-N 306.275 -0.252 5 10 DBBE COC(=O)[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 36817941 DFODIVAHGDTVEV-MRVPVSSYSA-N 322.270 -0.454 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])c(NN)c1 54415978 IRLUGPMCYVFEPX-UHFFFAOYSA-N 317.327 -0.841 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](O)C2)c1 61712752 NKQDFRPBMDQASB-MRVPVSSYSA-N 302.312 -0.364 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 88801372 NZXDJVGQRXQZPL-UHFFFAOYSA-N 322.730 -0.078 5 10 DBBE CCOC(=O)[C@H](CCOC)NC(=O)Cn1cc([N+](=O)[O-])cn1 281603796 VXWBCMNIOYWIGO-JTQLQIEISA-N 314.298 -0.124 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccnc(O)c1[N+](=O)[O-] 697276852 DICSSTTXQHUYOW-JGVFFNPUSA-N 303.296 -0.081 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCNC[C@H]2O)cc1 710418008 KUYGSKJSISOQJM-GHMZBOCLSA-N 301.324 -0.404 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OC[C@H]1CN(C2CC2)C(=O)O1 845101893 UCWXJYJKXPHIOH-MRVPVSSYSA-N 311.254 -0.287 5 10 DBBE Cn1ncc(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])n1 856758401 FSGNPDNMFDRAHW-UHFFFAOYSA-N 320.313 -0.038 5 10 DBBE CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 859414724 KTOQHIKDITWPTO-SSDOTTSWSA-N 318.311 -0.324 5 10 DBBE COC(=O)C1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 1180668338 SYLXLGREMOGFRV-UHFFFAOYSA-N 321.289 -0.044 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCCC1 1317479393 FFBWDQNOITYIHZ-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C 1333734162 ATSDFRHERQDQQJ-UWVGGRQHSA-N 310.358 -0.308 5 10 DBBE Cc1nnc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1C 1546160389 QYLTVZLEBMEMNC-UHFFFAOYSA-N 306.282 -0.490 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](CO)[C@@H](CCO)C1 1653839422 BLHFJYADHVTQIV-WDEREUQCSA-N 312.326 -0.451 5 10 DBBE Cc1cnc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1 1672617277 VMHCKAPRIOWPBC-VXGBXAGGSA-N 323.353 -0.639 5 10 DBBE N=c1nc(N2CC(CNC(=O)C(F)(F)F)C2)c([N+](=O)[O-])c[nH]1 1981938380 GRARUYWTYFKSOX-UHFFFAOYSA-N 320.231 -0.088 5 10 DBBE Cn1nc([N+](=O)[O-])nc1N=[S@](C)(=O)N1CCCNCC1 2163663190 NTBXLXPSDQSSDS-FQEVSTJZSA-N 303.348 -0.337 5 10 DBBE NNc1ncnc(N[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1[N+](=O)[O-] 2174639642 CRBKPGJYNJDBPQ-FPFOFBBKSA-N 300.300 -0.875 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1O[C@H]1CS(=O)(=O)C[C@@H]1N 2177958921 LXEMUKBOZNBKDV-YUMQZZPRSA-N 304.328 -0.377 5 10 DBBE NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2181125705 QHYXDUSRBAKUIL-NXEZZACHSA-N 301.324 -0.323 5 10 DBBE Nc1ccc(S(=O)(=O)Nc2nc(O)n[nH]2)cc1[N+](=O)[O-] 2199524982 MNPOLLYBBXCESB-UHFFFAOYSA-N 300.256 -0.199 5 10 DBBE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])cs1 2200868241 XOBUZLZGICKSNE-GEVIPFJHSA-N 302.264 -0.713 5 10 DBBE Nc1sc(S(=O)(=O)NC[C@H]2COCCO2)cc1[N+](=O)[O-] 125465246 ITAYWWZUGRHGIF-LURJTMIESA-N 323.352 -0.068 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCn1ccnn1 128084344 VMMOWKTZBGDZPY-UHFFFAOYSA-N 312.311 -0.253 5 10 DBBE CC(=O)NCCNC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 192697470 FACFWLFUYLPHDC-UHFFFAOYSA-N 322.277 -0.245 5 10 DBBE CNc1ncc([N+](=O)[O-])c(NCCS(=O)(=O)N(C)C)n1 231030775 MTXOWQOIXRHVDH-UHFFFAOYSA-N 304.332 -0.270 5 10 DBBE CN(C)CCN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1=O 593049565 BBPUHNMHLCBDSP-UHFFFAOYSA-N 310.358 -0.503 5 10 DBBE CCCNC(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599205136 HXCOHQKUKZWLTR-UHFFFAOYSA-N 305.316 -0.867 5 10 DBBE CN(C)C(=O)CN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 611334853 QCSDRRRCSYBOBF-UHFFFAOYSA-N 324.341 -0.826 5 10 DBBE NC(=O)C(NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(N)=O 695295236 LURHHXLFYJDWHB-UHFFFAOYSA-N 300.658 -0.683 5 10 DBBE CN1C[C@@H]2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@@H]2C1 1261246880 DDNONFAHTQXHFU-WDEREUQCSA-N 306.322 -0.081 5 10 DBBE NC(=O)N[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 1295898725 CQDLQXSOLPCREA-MWLCHTKSSA-N 308.294 -0.103 5 10 DBBE CCCc1[nH]nc(C(=O)N2C[C@@H](CO)[C@@H](CO)C2)c1[N+](=O)[O-] 1302728456 WEVJZISHKLBVKX-DTORHVGOSA-N 312.326 -0.057 5 10 DBBE O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccco1 1487017355 JRXIYQPZCUDATH-NXEZZACHSA-N 323.305 -0.362 5 10 DBBE O=C(NCCN1CCC(NCCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1501257682 ACNNHDJFXGKCOP-CHWSQXEVSA-N 314.386 -0.796 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCN1C(=O)CNC1=O 1528993293 SFHFBPFIAATGTL-UHFFFAOYSA-N 324.297 -0.842 5 10 DBBE CN(CCNC(=O)c1cccnn1)Cc1c([N+](=O)[O-])ncn1C 1567310777 TYGQXORRCXAPPD-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE Cn1cc([C@@H]2CS(=O)(=O)CCCN2CC[N+](=O)[O-])cn1 1620584143 IZXJALFNGOHHQB-NSHDSACASA-N 302.356 -0.142 5 10 DBBE Cc1nn(C)c(C(=O)N2CC(S(C)(=O)=O)C2)c1[N+](=O)[O-] 1641644438 NNHHJSMAZDFZAU-UHFFFAOYSA-N 302.312 -0.494 5 10 DBBE CCn1ncc(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1720476400 ZPQXJPCGEXBDSR-MWLCHTKSSA-N 324.341 -0.459 5 10 DBBE COC[C@](CN)(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1919757153 IYZUNQIPNQPFTJ-SSDOTTSWSA-N 324.091 -0.666 5 10 DBBE C[C@@H]1CN(S(=O)(=O)Nc2ncccc2[N+](=O)[O-])CCN1 2202433892 MKGYJLVUXXSBIJ-MRVPVSSYSA-N 301.328 -0.060 5 10 DBBE Cc1nc(Cl)nc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c1[N+](=O)[O-] 2357913658 SZAYARXGJFWTGM-BBVRLYRLSA-N 304.690 -0.751 5 10 DBBE CS(=O)(=O)C[C@@H](N)C(=O)Nc1ncc([N+](=O)[O-])cc1Cl 2360531335 NVXYSVUGDFISNW-SSDOTTSWSA-N 322.730 -0.046 5 10 DBBE O=[N+]([O-])c1cc(CO)ccc1O[C@@H]1CS(=O)(=O)C[C@@H]1O 37693280 JZFCZLYPQUENDZ-GXSJLCMTSA-N 303.292 -0.376 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(C(N)=O)CC1 104379780 WHMJZGWBTPODFU-UHFFFAOYSA-N 310.314 -0.287 5 10 DBBE COCCN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 298402708 GUYODHZBZABEBM-UHFFFAOYSA-N 309.326 -0.143 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N(CC(N)=O)C2CCOCC2)n1 1303125779 SIGCOAOAQDGDST-UHFFFAOYSA-N 311.298 -0.565 5 10 DBBE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O 1457419820 ROJJGJTZSCUBGF-XHGVETGHSA-N 310.310 -0.512 5 10 DBBE O=C(c1cc([N+](=O)[O-])ccc1-n1cnnn1)N1CC(CO)C1 1466386226 OQYQGXNNUFTWLZ-UHFFFAOYSA-N 304.266 -0.365 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 1556602188 QHTLRBLHEGGKOX-UHFFFAOYSA-N 316.339 -0.255 5 10 DBBE O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](O)Cn1ccnn1 1570172115 KJGXEHOQMVDGFC-SNVBAGLBSA-N 320.309 -0.225 5 10 DBBE COC[C@H]1COCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1645168163 VWIQMSFACCESOS-JTQLQIEISA-N 311.294 -0.370 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cnc[nH]1 1704275945 KXYFXCLCKFQGAV-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE CN(C)CC1(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1758171985 OKUKGVQWPKTRLY-GHMZBOCLSA-N 312.370 -0.384 5 10 DBBE Cn1cc(C(=O)N2CC[C@@H](n3ccnn3)C2)cc([N+](=O)[O-])c1=O 1891158637 KQMJIXUBONHTQM-SNVBAGLBSA-N 318.293 -0.028 5 10 DBBE Nc1c(C(=O)N2CC(S(N)(=O)=O)C2)cccc1[N+](=O)[O-] 1914990501 BPLJSJULWSLDOM-UHFFFAOYSA-N 300.296 -0.710 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)NN1CCNCC1 2145593713 QNSZBCRXKOCMIR-UHFFFAOYSA-N 300.340 -0.166 5 10 DBBE NCCN(CCN)S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2152187103 OULGNDNHCMIYIW-UHFFFAOYSA-N 306.319 -0.358 5 10 DBBE CCc1nn(C)c(N[C@H]2CS(=O)(=O)C[C@@H]2O)c1[N+](=O)[O-] 2177808180 HAFUIYJBIQQHCM-YUMQZZPRSA-N 304.328 -0.540 5 10 DBBE CN(C)S(=O)(=O)c1nccn1-c1nc([N+](=O)[O-])nn1C 2179125778 MWCDLXQSQIKWFT-UHFFFAOYSA-N 301.288 -0.841 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H](O)[C@H](O)C1 2188677336 FHMFMSOJRGGTGO-VHSXEESVSA-N 302.308 -0.289 5 10 DBBE O=[N+]([O-])C1CN(c2nc(Cl)nc(N3CCOCC3)n2)C1 2191517401 VYHUZBICBXLYOV-UHFFFAOYSA-N 300.706 -0.173 5 10 DBBE Cc1nc(COC2(CN)CS(=O)(=O)C2)ccc1[N+](=O)[O-] 2283095852 SXBOMHAUEGLPFP-UHFFFAOYSA-N 301.324 -0.059 5 10 DBBE NNc1ncc([N+](=O)[O-])c(=NCCS(=O)(=O)C2CC2)[nH]1 2290131902 FARIRVLDBUIJGG-UHFFFAOYSA-N 302.316 -0.919 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]2CS(=O)(=O)[C@@H]2C1 2361705162 YVFBUHTVOVUZHO-VHSXEESVSA-N 300.340 -0.171 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](N)[C@H](C)O 80739095 DJHYJRAEFSUQGM-WCBMZHEXSA-N 303.340 -0.110 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCO[C@@]3(CCOC3)C2)c1 249046082 VWXJFCTXQPXBDL-OLZOCXBDSA-N 312.326 -0.357 5 10 DBBE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 339409310 JXTNYGZQKBHAGI-ZJUUUORDSA-N 322.321 -0.131 5 10 DBBE O=C(O)CNC(=O)NCCNC(=O)Cc1ccccc1[N+](=O)[O-] 585852699 DQUMEIYOEWJQIC-UHFFFAOYSA-N 324.293 -0.363 5 10 DBBE C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)CO 698918010 HPBYERIDFLHWCU-KWQFWETISA-N 304.324 -0.244 5 10 DBBE CS(=O)(=O)NC1CN(Cc2cccc([N+](=O)[O-])c2N)C1 703178467 NPUSQAJOWVDSMU-UHFFFAOYSA-N 300.340 -0.090 5 10 DBBE CCOC(=O)C[C@@H](O)COC(=O)c1nn(C)cc1[N+](=O)[O-] 859620978 GCQBEJJPHFEKTP-SSDOTTSWSA-N 301.255 -0.201 5 10 DBBE O=C(NC[C@@]1(OCCO)CCOC1)c1c[nH]nc1[N+](=O)[O-] 1334501040 ZPFBQWFIZWUTJW-NSHDSACASA-N 300.271 -0.784 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC[C@@]12COCCN1C(=O)COC2 1640288478 ANOSUZUZXQGDIS-LBPRGKRZSA-N 311.298 -0.632 5 10 DBBE Cn1ncnc1C1(O)CN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 1644619298 VVCMIYXJKOKMJV-UHFFFAOYSA-N 317.305 -0.004 5 10 DBBE COC(=O)[C@H]1CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1652382037 MBLVVYYEJIGYJF-SECBINFHSA-N 309.278 -0.080 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)C(C)C 1713484766 TWFWHJJEKMJHAE-VXGBXAGGSA-N 314.386 -0.044 5 10 DBBE NS(=O)(=O)NCCCNC(=O)c1csc([N+](=O)[O-])c1 2101328239 IXIUDURIIXJUOT-UHFFFAOYSA-N 308.341 -0.431 5 10 DBBE CCNC(=O)[C@H](C)n1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C 2156817578 PXVJEOPLXZEDAG-LURJTMIESA-N 305.316 -0.556 5 10 DBBE CO[C@@H](CCO)CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2168515404 DWIQMTYVRMVAQS-QMMMGPOBSA-N 305.312 -0.335 5 10 DBBE NS(=O)(=O)c1ccc(NC[C@@H](O)C(=O)O)c([N+](=O)[O-])c1 2176866976 WDEMGGVEPZMUON-MRVPVSSYSA-N 305.268 -0.900 5 10 DBBE O=[N+]([O-])c1cncc(Cl)c1N1CC2(C1)OC[C@@H](O)[C@H]2O 2183728466 PXQIHGAPUKHYBF-PSASIEDQSA-N 301.686 -0.046 5 10 DBBE O=C(O)[C@@H]1CN(c2cccnc2[N+](=O)[O-])CCS1(=O)=O 2197721926 MFURCHODKLKCKZ-QMMMGPOBSA-N 301.280 -0.322 5 10 DBBE NCc1ccc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@H]2O)c1 50516346 OMFCFJZESCWPTP-KOLCDFICSA-N 302.308 -0.410 5 10 DBBE CNC(=O)CNS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NC 50654687 HOCNWYATVUMQHV-UHFFFAOYSA-N 320.302 -0.200 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC2)c([N+](=O)[O-])c1 111024861 GVWPTUKAGCXVAN-QMMMGPOBSA-N 314.323 -0.266 5 10 DBBE Cc1nn(C)c(N2CC[C@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-] 116873154 MFUFZRBJLXMDNZ-QMMMGPOBSA-N 303.344 -0.235 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](N)C(=O)O 323350787 AQSLEUYJYDKLJZ-SSDOTTSWSA-N 303.296 -0.407 5 10 DBBE CNS(=O)(=O)NCC(=O)NCc1ccccc1[N+](=O)[O-] 339266429 SZNRVLGJCLBMOF-UHFFFAOYSA-N 302.312 -0.735 5 10 DBBE Cn1cc([N+](=O)[O-])c(=N[C@H]2CCCN(S(C)(=O)=O)C2)[nH]1 400221340 IQIFYLXRTROZQQ-QMMMGPOBSA-N 303.344 -0.414 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@H]2C1 1445170887 BILOONKBGAHTJO-NWDGAFQWSA-N 320.305 -0.136 5 10 DBBE Cn1cc(CN2CC[C@@H](CNS(C)(=O)=O)C2)c([N+](=O)[O-])n1 1473776719 QJZBZOURZBSDBV-VIFPVBQESA-N 317.371 -0.301 5 10 DBBE CC(C)(CCC(=O)NCC1CN(S(C)(=O)=O)C1)[N+](=O)[O-] 1538024341 HTZAELHVRYIZHP-UHFFFAOYSA-N 307.372 -0.171 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NCCCn1cccnc1=O 1568698823 UZSAMOXFMFFVJI-UHFFFAOYSA-N 306.282 -0.446 5 10 DBBE CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)COCC(F)F)C1 1585396565 NMNPPXQMOVXXOI-RKDXNWHRSA-N 321.280 -0.398 5 10 DBBE CNC(=O)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1585500894 QUKSOJHDDLHJQA-VIFPVBQESA-N 308.294 -0.649 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H](c2nn[nH]n2)C1 1632986802 SNQSYPSEJGABRJ-QMMMGPOBSA-N 306.286 -0.371 5 10 DBBE CONC(=O)C1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 1633914031 YCPRGYYPOORHGI-UHFFFAOYSA-N 311.298 -0.142 5 10 DBBE O=C(NC[C@@]12COCCN1C(=O)OC2)c1n[nH]cc1[N+](=O)[O-] 1643884429 LRECTUGCMZRSPE-NSHDSACASA-N 311.254 -0.731 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1[C@@H](C)C(=O)N(C)S1(=O)=O 1656489122 LWGGVXOVYMIEBF-ZETCQYMHSA-N 317.327 -0.493 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC1CCCC1 1714533494 HJTQUBZDUPRVJH-VXGBXAGGSA-N 312.370 -0.242 5 10 DBBE CCCC(=O)NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1737334140 PDKQCAIRLAKKOA-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CC[C@](O)(CO)[C@@H](O)C1 2234093261 SKWITNIPZXNVEO-ONGXEEELSA-N 304.324 -0.557 5 10 DBBE CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 50691997 FOOCXGWUIBAGDZ-SSDOTTSWSA-N 316.339 -0.020 5 10 DBBE O=C(NCCN1CCNCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 170316841 DLWLDIZHSHFQOT-UHFFFAOYSA-N 321.337 -0.445 5 10 DBBE COC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1Cl 300486252 GBZHMMUYLFJZHQ-ZETCQYMHSA-N 303.658 -0.093 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[C@@]1(O)CCOC1 593636080 CCQJWNHKIAELQU-LLVKDONJSA-N 317.323 -0.190 5 10 DBBE CCNc1ncc([N+](=O)[O-])c(N(C)CCS(N)(=O)=O)n1 719701480 HJMYYAFAZXNMQY-UHFFFAOYSA-N 304.332 -0.459 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncccc1O 1285365183 SFPDWUWVORVWJU-NXEZZACHSA-N 322.321 -0.017 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NCC1CCC1 1317448409 SXFIMPNATHKORO-VXGBXAGGSA-N 312.370 -0.384 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cncnc1 1535255546 ZZINDGSALPFLEF-NXEZZACHSA-N 305.294 -0.480 5 10 DBBE C[C@H]1CN(CCO)CCN1C(=O)c1cnc(O)c([N+](=O)[O-])c1 1642573696 AXBCXRNMLFFFQU-VIFPVBQESA-N 310.310 -0.166 5 10 DBBE CC(=O)c1cn(C2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)nn1 1647772292 NTOIUNBHDKBKRM-UHFFFAOYSA-N 305.254 -0.191 5 10 DBBE Cc1ncncc1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704185893 UOQUJHIYAJGZTH-MWLCHTKSSA-N 307.310 -0.362 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCN(C)C 1737797154 DXNCKBPXAHKGNV-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE COc1ncnc(OC[C@@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 2146206753 YGBMZMUPOSVQCZ-LURJTMIESA-N 304.284 -0.536 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CC2(CNS(=O)(=O)C2)C1 2176150049 BWCFUVLVYBSAJT-UHFFFAOYSA-N 319.364 -0.112 5 10 DBBE O=[N+]([O-])c1c(N2C[C@H](O)[C@@H](O)[C@H]2CO)nc2sccn12 2200877127 TVTLZKAGZHKGLM-VQVTYTSYSA-N 300.296 -0.793 5 10 DBBE Nc1cc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(Cl)cc1[N+](=O)[O-] 2234227702 NBWDTEOEFRPKEF-VWYCJHECSA-N 303.702 -0.267 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC(=O)N2)c1 79937781 YRVSNDSQAWVQCL-MRVPVSSYSA-N 314.323 -0.266 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@](C)(O)CO 90287506 LXAVDOUREQMCAN-LLVKDONJSA-N 320.323 -0.375 5 10 DBBE C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 167715503 WVOOVHVXVPGKPE-IUCAKERBSA-N 317.323 -0.240 5 10 DBBE C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 227255575 XUKSVGMWQIPODV-LURJTMIESA-N 304.280 -0.048 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CCO[C@H](CO)C2)c1 312566576 YYPHTKAAXXBZSF-VIFPVBQESA-N 303.296 -0.628 5 10 DBBE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 346844826 LPCPVXBYKDMKNK-NGZCFLSTSA-N 323.309 -0.014 5 10 DBBE CN(c1ncnc(N)c1[N+](=O)[O-])C1CC(S(C)(=O)=O)C1 716121312 CYNDBWNLQFCRIR-UHFFFAOYSA-N 301.328 -0.021 5 10 DBBE Cn1cc(CCNC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1274014584 AIUHUALSBHADLV-LLGAQUFESA-N 307.354 -0.110 5 10 DBBE Cn1nccc1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1466722890 ZBLULVSHLDSGAA-UHFFFAOYSA-N 305.294 -0.151 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cn(C)nn1 1492349437 SEWMGIBGNIOPBH-PSASIEDQSA-N 310.314 -0.941 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCCS(=O)(=O)C1 1586181876 RRIFATCCJQMDOD-VIFPVBQESA-N 316.339 -0.207 5 10 DBBE C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCCNC=O 1859178240 OETYVKOKBSYFPV-JTQLQIEISA-N 322.321 -0.035 5 10 DBBE C[C@H]1C[C@@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])CCS1(=O)=O 2143969065 DGMDEYXXHGLOEX-BQBZGAKWSA-N 301.328 -0.403 5 10 DBBE Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N1CC(CO)C1 2148952723 DEDHFNPEIGXEKD-UHFFFAOYSA-N 305.287 -0.071 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCO[C@@H](CO)C2)ccc1O 167325923 LFVIJIVKEMMALT-MRVPVSSYSA-N 318.307 -0.318 5 10 DBBE CNC(=O)c1ccc([N+](=O)[O-])c(NCCNS(C)(=O)=O)c1 212632785 PBKRFTNHIZXXQM-UHFFFAOYSA-N 316.339 -0.085 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)[C@@H](CN)C1 226616944 NOHFAZLGTLFKAE-VIFPVBQESA-N 315.355 -0.747 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)c(F)c1 323460633 HGPGTSXTDNLWLN-BDAKNGLRSA-N 306.271 -0.228 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN2CCOC[C@H]2C1 371868929 CPVKYVNFUNWTTN-GFCCVEGCSA-N 309.326 -0.276 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 532398394 QPPLQHNACORABI-MRVPVSSYSA-N 314.323 -0.247 5 10 DBBE COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cn1 761980706 CFZRSCQTHJTSQV-ZETCQYMHSA-N 311.250 -0.176 5 10 DBBE Cc1cc([N+](=O)[O-])cn(CC(=O)N2CCC(C(N)=O)CC2)c1=O 1116302571 YOAGWGCJEMMKQO-UHFFFAOYSA-N 322.321 -0.211 5 10 DBBE C[C@H](CN1CCN(C)CC1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 1144612178 AAIRVSSTPLIPJP-SNVBAGLBSA-N 322.369 -0.062 5 10 DBBE O=C(CN1CCNC(=O)C1)NCCc1ccccc1[N+](=O)[O-] 1297274272 RZYXSFVMRRMXNH-UHFFFAOYSA-N 306.322 -0.315 5 10 DBBE Cc1nn(C)cc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1298316741 VEVIEVOTMKEKCU-YZKQYGISSA-N 321.337 -0.204 5 10 DBBE O=C1NCCO[C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)[C@H]12 1460672167 QWQMLNUTFCOTGN-NEPJUHHUSA-N 309.326 -0.229 5 10 DBBE COC(=O)Cc1ccc(N2CC(O)(C(N)=O)C2)c([N+](=O)[O-])c1 1472854047 WBDBLIOPMQHIFC-UHFFFAOYSA-N 309.278 -0.653 5 10 DBBE C[C@H](NC(N)=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1570092397 PAMFSRMQQUIDLN-VIFPVBQESA-N 322.325 -0.305 5 10 DBBE NS(=O)(=O)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 1648168225 BXHHKGJNCSVFDP-UHFFFAOYSA-N 301.328 -0.689 5 10 DBBE CN(C(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 1687428538 DEQNFYLOTYGXAH-VXGBXAGGSA-N 310.354 -0.583 5 10 DBBE Cc1c[nH]nc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689324543 OVXJNPVQWGWTQG-HLKOZVMDSA-N 307.310 -0.214 5 10 DBBE CC(C)N(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn[nH]1 1701867388 UNSRJRVCBLHAQX-MWLCHTKSSA-N 324.341 -0.221 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cnn[nH]1 1704276584 XPOPRDPUROVLQF-GHMZBOCLSA-N 324.341 -0.633 5 10 DBBE CN(CCNCc1nnc2n1CCOC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1714702707 CHLXGYJUFLQADM-NXEZZACHSA-N 324.341 -0.979 5 10 DBBE Nc1nc(N2CCC[C@@H]2CS(N)(=O)=O)ccc1[N+](=O)[O-] 2146423735 GPZURSNQQJRIAR-SSDOTTSWSA-N 301.328 -0.171 5 10 DBBE C[C@@H](CS(N)(=O)=O)Nc1cc(C(=O)O)c([N+](=O)[O-])cn1 2152941665 SESWGADYSSKCKZ-YFKPBYRVSA-N 304.284 -0.223 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)c1cccc(N)c1[N+](=O)[O-] 2152961047 NVCICIMYSJFVKT-LURJTMIESA-N 302.312 -0.416 5 10 DBBE NCCOCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2156031014 IGOLCTKAMSMGKM-UHFFFAOYSA-N 307.303 -0.013 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(N2CCS(=O)(=O)CCN2)[nH]1 2173804543 LLTDGJWGSZLDOK-UHFFFAOYSA-N 301.328 -0.807 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)[C@H](C)O 2174118222 FTJCZOXBNZICPQ-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE CO[C@@H]1C[C@H]1NS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 2188217728 BUINEXLVTFIIGO-VXNVDRBHSA-N 302.312 -0.054 5 10 DBBE NC[C@@H](O)CNS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235872674 DRUJESSFKNLKTL-RXMQYKEDSA-N 311.266 -0.529 5 10 DBBE CC(C)n1ncc([N+](=O)[O-])c1N[C@@H]1CS(=O)(=O)C[C@@H]1O 2240590829 LKYALDZPVRVOQA-APPZFPTMSA-N 304.328 -0.058 5 10 DBBE CS(=O)(=O)C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1O 2360522861 OXAWSDFEFIKCII-SSDOTTSWSA-N 303.296 -0.389 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1COCCO1 50662530 PUHFMNTYFFHZJB-VIFPVBQESA-N 317.323 -0.129 5 10 DBBE O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1C[C@@H](O)CO 158050112 BCIAYORYHXVUAG-SSDOTTSWSA-N 302.264 -0.908 5 10 DBBE CN1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 351969746 YNSQSBVFCBUXOV-UHFFFAOYSA-N 320.305 -0.027 5 10 DBBE COC(=O)[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H](C)O1 600374291 VMPVBSNRIOPMCC-APPZFPTMSA-N 324.293 -0.026 5 10 DBBE CNc1cc([N+](=O)[O-])cc(N2CC[C@@H](S(N)(=O)=O)C2)n1 707428434 LKGBENYLNVQNSM-MRVPVSSYSA-N 301.328 -0.101 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCCC12OCCO2 765204661 YRHZWPDIRFMXON-SECBINFHSA-N 311.298 -0.012 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1CCNC1=O 1317480747 XDODQIQJXLDCQT-GHMZBOCLSA-N 313.358 -0.885 5 10 DBBE Cc1nc(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n[nH]1 1443339716 GBBWBQXGPZJOQX-UHFFFAOYSA-N 306.282 -0.458 5 10 DBBE CN1C(=O)CN(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O 1630818737 UIFCTYGBKHYUMR-JTQLQIEISA-N 308.250 -0.447 5 10 DBBE C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)CN1CCO 1638333475 FVTOZEICAZJCGJ-UWVGGRQHSA-N 311.342 -0.145 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2CCC3(COC3)O2)c1=O 1643621594 JHNFDXZKSCVXGO-VIFPVBQESA-N 309.278 -0.197 5 10 DBBE C[S@@](=N)(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1644173789 JVQMEHXGRXONMQ-NRFANRHFSA-N 316.343 -0.473 5 10 DBBE CN=c1nc(N(C)C2CS(=O)(=O)C2)c([N+](=O)[O-])c(C)[nH]1 2152233213 DTKKRHVZXKHEKL-UHFFFAOYSA-N 301.328 -0.610 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@](C)(O)CO 90287456 BOBJVVSCDNFJHE-LLVKDONJSA-N 304.324 -0.075 5 10 DBBE CCN(CCO)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 126702574 UEQKDUHFFFAYFG-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE C[C@@H](Cn1cncn1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 150910376 IWYLGGSRSNVMDS-VIFPVBQESA-N 308.302 -0.229 5 10 DBBE CC(C)(CNc1ncnc(NN)c1[N+](=O)[O-])S(C)(=O)=O 161287630 PDJHGMCRDSJPBB-UHFFFAOYSA-N 304.332 -0.095 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1COC[C@H]1O 323356614 AMEXHZCAPAXPMA-IONNQARKSA-N 303.296 -0.785 5 10 DBBE O=C1CN(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCN1 354649994 QNMOISHKZAANDI-UHFFFAOYSA-N 308.294 -0.538 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1=O 594866653 XGSGSWNRVNICGA-UHFFFAOYSA-N 314.323 -0.157 5 10 DBBE CNC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CCO1 1138145436 XOYVQGKQUMDVTJ-LLVKDONJSA-N 308.294 -0.115 5 10 DBBE C[C@H](CN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1nn[nH]n1 1638041735 HZPAJOZZWIKWBZ-MRVPVSSYSA-N 321.297 -0.468 5 10 DBBE Cc1nccc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1689583128 XGVDYFNSKBQRTC-MWLCHTKSSA-N 319.321 -0.171 5 10 DBBE COCC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1704566741 BHKHYJAYBGWJIE-GHMZBOCLSA-N 313.354 -0.101 5 10 DBBE COC1(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 1721341730 LUKJMPZVDYFFHW-GHMZBOCLSA-N 311.338 -0.062 5 10 DBBE CNS(=O)(=O)CCN(C)c1cc(NN)ccc1[N+](=O)[O-] 2206795054 BTFWHFQKRSXCNY-UHFFFAOYSA-N 303.344 -0.134 5 10 DBBE Cc1nc([N+](=O)[O-])c(N[C@@H]2COC[C@H]2S(C)(=O)=O)n1C 2207482704 MHIDLVIWOWPIQV-HTQZYQBOSA-N 304.328 -0.139 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1CC[C@](O)(CO)[C@H](O)C1 2234102440 ZCJNOILQFKOYAP-KOLCDFICSA-N 302.308 -0.414 5 10 DBBE CN(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N)S(C)(=O)=O 2365286822 PSYNVMXCOAYBKQ-UHFFFAOYSA-N 324.340 -0.738 5 10 DBBE C[C@H](O)[C@@H](N)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 80737514 RVJHGRBPTUQBNM-XPUUQOCRSA-N 307.303 -0.280 5 10 DBBE CCNS(=O)(=O)CCNc1nc(N)nc(C)c1[N+](=O)[O-] 231029799 MYIDQCWTEOVRLA-UHFFFAOYSA-N 304.332 -0.373 5 10 DBBE COC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)OC 593571696 ACQXMCRFDZLMBN-QMMMGPOBSA-N 319.295 -0.544 5 10 DBBE Cn1nnnc1CCNC(=O)CNc1ccccc1[N+](=O)[O-] 611334613 VJIODSJXYUFKSZ-UHFFFAOYSA-N 305.298 -0.111 5 10 DBBE O=C(NCC(=O)N1C[C@@H](O)C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 613799571 LSNQKIUDAUXHCU-TXEJJXNPSA-N 323.305 -0.721 5 10 DBBE C[C@@](Cn1cccn1)(NCCn1ccc([N+](=O)[O-])n1)C(N)=O 1176860650 OCRYBANFNCKONC-LBPRGKRZSA-N 307.314 -0.478 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCn2c(O)nnc2C1 1296787384 ZGKLPEXCZLQXRF-UHFFFAOYSA-N 307.270 -0.561 5 10 DBBE CN(CCNS(C)(=O)=O)C(=O)c1ccc([N+](=O)[O-])cn1 1319149436 DWOPKMXPKVREGO-UHFFFAOYSA-N 302.312 -0.389 5 10 DBBE C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1331340149 NTIVMRQHHLTCJD-HTQZYQBOSA-N 304.328 -0.280 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC(=O)NCC23COC3)n1 1439046647 KUAYDLHAORUYFR-UHFFFAOYSA-N 309.282 -0.848 5 10 DBBE NC(=O)C1(O)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 1473469865 WGXQKBBHMVNBBB-GFCCVEGCSA-N 309.322 -0.060 5 10 DBBE O=C(N[C@@H]1COC[C@H]1O)c1cc2c(cc1[N+](=O)[O-])OCCO2 1569143257 ZAUUJERSSFXDLN-PSASIEDQSA-N 310.262 -0.145 5 10 DBBE CC(C)(CN1CCOCC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 1585041295 JQWRWHIQJHBWJB-UHFFFAOYSA-N 312.330 -0.587 5 10 DBBE Cc1cc(C(=O)NCC(=O)N2CC=C(N)N2)ccc1[N+](=O)[O-] 1635027728 AZIWHCDDPUYGRA-UHFFFAOYSA-N 305.294 -0.220 5 10 DBBE CC[C@H]1C(=O)NCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1655677206 KSTOQSBYZMKAFU-NEPJUHHUSA-N 311.342 -0.247 5 10 DBBE O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CC([N+](=O)[O-])C1 1881297393 FNPBXNVVMRCPCE-SNVBAGLBSA-N 305.290 -0.396 5 10 DBBE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1ncc([N+](=O)[O-])c(=N)[nH]1 2170260639 LEASSMJIAXMZNQ-RNFRBKRXSA-N 301.328 -0.191 5 10 DBBE C[C@@H](O)[C@H](CO)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2174124814 ZFFCVZHPRSCQCX-KCJUWKMLSA-N 304.324 -0.244 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(N[C@H]2CS(=O)(=O)C[C@H]2O)[nH]1 2177959567 RGYLFQGTQHERLV-JGVFFNPUSA-N 302.312 -0.977 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC2(CO)COC2)ccc1F 2189264363 LVAUBHNHDMNNPY-UHFFFAOYSA-N 306.271 -0.227 5 10 DBBE COCC[C@H](N)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 2233920592 JNYFTUXOBYIBLO-QMMMGPOBSA-N 304.328 -0.368 5 10 DBBE NC[C@@H](O)CNS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235875253 DRUJESSFKNLKTL-RXMQYKEDSA-N 311.266 -0.529 5 10 DBBE Cn1[nH]c(=O)c(=O)nc1Sc1ncnc(Cl)c1[N+](=O)[O-] 236061523 UCXRPTRUCZTTDU-UHFFFAOYSA-N 316.686 -0.029 5 10 DBBE CN(c1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(CO)CO 312629925 YBRQKAMLPXWTTE-UHFFFAOYSA-N 304.324 -0.212 5 10 DBBE O=C1C[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)NC(=O)N1 597477735 NRNYTBDADMSXTQ-JTQLQIEISA-N 319.277 -0.527 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@H](O)CC(F)(F)C2)c1 615823141 XBVYKKUAPHQGKG-ZJUUUORDSA-N 306.269 -0.146 5 10 DBBE NS(=O)(=O)C1CN(CCOc2ccccc2[N+](=O)[O-])C1 1171036222 MRASAGNEBFZUET-UHFFFAOYSA-N 301.324 -0.054 5 10 DBBE CN(CCNC(=O)c1cnn(C)n1)c1ccnc(O)c1[N+](=O)[O-] 1263679322 OKDDYLUGHUEFSB-UHFFFAOYSA-N 321.297 -0.310 5 10 DBBE Cc1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1285545827 TVBJMZFXDNWUKM-RXUHEVMZSA-N 319.321 -0.148 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CS(C)(=O)=O 1558636387 RCKFRFRGMVWPNB-SECBINFHSA-N 317.323 -0.566 5 10 DBBE C[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)CN1CCO 1559215442 AXWWMGNREUJNAM-VHSXEESVSA-N 323.353 -0.020 5 10 DBBE O=C1C[C@H](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CN1 1625643524 OHIIDHHIKSRMLL-VIFPVBQESA-N 308.294 -0.601 5 10 DBBE CN(CCS(N)(=O)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 1660023085 WWFLPHGYWMYJJY-NSHDSACASA-N 303.340 -0.152 5 10 DBBE Cc1ncc(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 1689582638 CUCWBFLGUWEAFC-GHMZBOCLSA-N 322.321 -0.044 5 10 DBBE Cc1n[nH]c(C)c1CC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721079523 VRPDLWQLDSWXQU-VXGBXAGGSA-N 323.353 -0.191 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(C)C(N)=O 1743456962 XAFOERNCTXKXRY-RKDXNWHRSA-N 314.342 -0.872 5 10 DBBE O=[N+]([O-])c1cccc(CNS(=O)(=O)N2CC[C@@H](O)C2)c1 1914141843 HJKPBDJKOFRBQV-LLVKDONJSA-N 301.324 -0.004 5 10 DBBE CS(=O)(=O)c1cccc(N(CCN)CCO)c1[N+](=O)[O-] 2152168344 HYFXKSOVRMAFQP-UHFFFAOYSA-N 303.340 -0.244 5 10 DBBE CCON(C1CNC1)S(=O)(=O)c1cncc([N+](=O)[O-])c1 2174944261 CEFFCQFVXBMVHR-UHFFFAOYSA-N 302.312 -0.096 5 10 DBBE NNc1sc(S(=O)(=O)N2CC=C[C@H]2CO)cc1[N+](=O)[O-] 2176338557 DVYVMZJQIZEZPW-LURJTMIESA-N 320.352 -0.137 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(N[C@@H]2CS(=O)(=O)C[C@H]2O)[nH]1 2177959566 RGYLFQGTQHERLV-HTQZYQBOSA-N 302.312 -0.977 5 10 DBBE NNc1cc(N2CC(O)(C(N)=O)C2)c(Cl)cc1[N+](=O)[O-] 2234446144 FWPUULDAVZTVEQ-UHFFFAOYSA-N 301.690 -0.430 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 126719478 XIRHTVPXSOIRQK-LURJTMIESA-N 317.327 -0.707 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1=O 593585080 KNAWARDDUANNNT-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(c2ccc(N)c([N+](=O)[O-])n2)C1 596132848 RQPRZWCXNXFTMV-SSDOTTSWSA-N 301.328 -0.300 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc([N+](=O)[O-])cn1 710804508 ZWKGNHMTMNOMDK-WDEREUQCSA-N 301.324 -0.109 5 10 DBBE O=C(N[C@H]1CCNC1=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 1131650294 NZZAEIIEIFEKLU-JTQLQIEISA-N 316.277 -0.206 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCS[C@@H]2COCC[C@@H]21 1253217810 LEXSJWWHGGUSCW-DTWKUNHWSA-N 313.339 -0.081 5 10 DBBE CC(=O)N1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1290393118 RAGTWANYOHKIBE-UHFFFAOYSA-N 322.321 -0.163 5 10 DBBE NC(=O)[C@]12CCC[C@H]1CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C2 1538482488 ZHFKXQBJLBUOKA-ZANVPECISA-N 307.310 -0.095 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(NC(N)=O)CC1 1566091228 JVMJZRRKRJMKIM-UHFFFAOYSA-N 310.314 -0.241 5 10 DBBE COCCNC(=O)C1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1596630091 KYQUFIRFHRTUBL-UHFFFAOYSA-N 311.298 -0.797 5 10 DBBE CN=[S@@](C)(=O)CCNC(=O)Cn1c([N+](=O)[O-])cnc1C 1630494777 IJINMALHONYKCQ-FQEVSTJZSA-N 303.344 -0.056 5 10 DBBE COC[C@@H]1COCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1645168164 VWIQMSFACCESOS-SNVBAGLBSA-N 311.294 -0.370 5 10 DBBE Cc1ncc(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 1687413897 PQSPTHBLIBDUIO-MWLCHTKSSA-N 309.326 -0.038 5 10 DBBE NCC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])nc2)COC1 2176837011 QDYBVZZUWQEPAU-UHFFFAOYSA-N 302.312 -0.757 5 10 DBBE Cc1nc(NC(=O)[C@@H](N)CS(C)(=O)=O)ccc1[N+](=O)[O-] 2360524904 IVLRYRACXJCAMX-ZETCQYMHSA-N 302.312 -0.391 5 10 DBBE CCOC(=O)N1CCN(c2ncnc(NN)c2[N+](=O)[O-])CC1 40656832 CILFAKKSLRXNEI-UHFFFAOYSA-N 311.302 -0.051 5 10 DBBE CNc1nccc(C(=O)NC2(C(=O)N(C)C)CC2)c1[N+](=O)[O-] 573386048 QOROOEPNYHDUKV-UHFFFAOYSA-N 307.310 0.382 5 10 DBBE CN1C(=O)C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594782775 ZONCXUMYKCWVRW-LURJTMIESA-N 314.279 -0.975 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(C2CC2)[C@@H]2CCNC2)n1 599102839 SHHGVSBLWREYQV-SECBINFHSA-N 315.355 -0.157 5 10 DBBE CN1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC1=O 599346615 MIWVACVTEYGNMR-UHFFFAOYSA-N 317.327 -0.819 5 10 DBBE Cc1c(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1284497378 MPFIPVKBGWVCLF-MWLCHTKSSA-N 309.326 -0.418 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(O)(c2nccn2C)C1 1302974632 FQURJRQKYRZWFJ-UHFFFAOYSA-N 320.309 -0.437 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1ccnc1 1357215707 CWTYHKKZHUEHKU-GHMZBOCLSA-N 309.326 -0.535 5 10 DBBE COC(=O)C1(NC(=O)c2nn(C)cc2[N+](=O)[O-])CCOCC1 1460091136 AQHARKZKZOLODR-UHFFFAOYSA-N 312.282 -0.220 5 10 DBBE CNc1ccc(C(=O)N2CC(S(N)(=O)=O)C2)cc1[N+](=O)[O-] 1468916436 ALKNSIRRNSRLTR-UHFFFAOYSA-N 314.323 -0.251 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NN2C(=O)[C@H](C)N(C)C2=O)n1 1633409924 RCOLVEOBJQTJOZ-LURJTMIESA-N 310.270 -0.262 5 10 DBBE COC(=O)[C@@H](O)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C 1649028715 FHEWWYHXEVWSFG-QMMMGPOBSA-N 300.271 -0.860 5 10 DBBE Cc1nc(CC(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 1743456547 PHHPJDUOMUOTQH-NXEZZACHSA-N 324.341 -0.714 5 10 DBBE O=C(CCn1cncn1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1747783411 UALOMEQQSVOSNK-NXEZZACHSA-N 322.325 -0.902 5 10 DBBE CCN(CCNC(=O)c1c[nH]c(=O)cn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759024391 YQIBPFXBYZQVKD-PSASIEDQSA-N 323.309 -0.987 5 10 DBBE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC([N+](=O)[O-])C1 1899960171 FCRYGDCDZBIXKF-CBAPKCEASA-N 303.315 -0.252 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N2CC(O)(CO)C2)c1 2171959068 GXRVSBZSMVFUIM-UHFFFAOYSA-N 306.271 -0.538 5 10 DBBE C[C@H](CO)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 122574420 CBBFRJDNMVSXAT-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE NNc1sc(S(=O)(=O)NCCCC(N)=O)cc1[N+](=O)[O-] 157472084 DIWLLBXGEDHCBC-UHFFFAOYSA-N 323.356 -0.514 5 10 DBBE Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3C[C@@H](O)C[C@@H](O)C3)cc21 587989654 CPUIZCLNMSARSW-DTORHVGOSA-N 322.321 -0.283 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1Cc2cncn2C1 598945258 YBCAZTKOJVJKOT-SECBINFHSA-N 303.278 -0.306 5 10 DBBE Nc1cnc([N+](=O)[O-])cc1C(=O)NCC1CS(=O)(=O)C1 701920113 AGADSDGOMSODKN-UHFFFAOYSA-N 300.296 -0.654 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](S(N)(=O)=O)C1 707434865 NHINNYIFXLBTDB-MRVPVSSYSA-N 302.312 -0.564 5 10 DBBE CCN(CCCNC(=O)c1cnn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1294487609 VNSGWMOBBGPAHM-MWLCHTKSSA-N 324.341 -0.551 5 10 DBBE CC(C)CNC(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1323441385 HLAUXMQMSGHJNU-GHMZBOCLSA-N 312.370 -0.338 5 10 DBBE CN1CCOC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1330133124 RZJLOVPBMDXDCD-JTQLQIEISA-N 310.310 -0.797 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)n1 1331573464 VFYVCSVSDHDBPF-JIGDXULJSA-N 302.312 -0.813 5 10 DBBE O=C(COCC1CC1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1353553855 FJXAOHIIEFINCX-DDHJBXDOSA-N 311.338 -0.158 5 10 DBBE CC(C)OCCCN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1500833934 HGPAIZKCOKOWLO-VXGBXAGGSA-N 315.370 -0.370 5 10 DBBE CCOC(=O)COCCNC(=O)c1nn(C)cc1[N+](=O)[O-] 1627830798 DHCAZHOGRNIBFX-UHFFFAOYSA-N 300.271 -0.362 5 10 DBBE C[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O 1640478144 PDVCPWDIMMEBTC-SFYZADRCSA-N 303.344 -0.311 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](C3OCCO3)C2)c1 1644537021 XAUCNUYZWDNTPB-ZYHUDNBSSA-N 312.326 -0.153 5 10 DBBE CCN(C)C(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1700131374 VBFKQXSYZLQDBN-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)NC2(CO)CNC2)cc1 1918434549 ZGHOFHUDJIOKOQ-UHFFFAOYSA-N 301.324 -0.652 5 10 DBBE N[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2149989131 STRXBBSLILPUFO-BDAKNGLRSA-N 305.287 -0.262 5 10 DBBE CCNC(=O)[C@@H](C)n1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C 2156817579 PXVJEOPLXZEDAG-ZCFIWIBFSA-N 305.316 -0.556 5 10 DBBE CN(c1ncc([N+](=O)[O-])c(=N)[nH]1)C1CC(S(C)(=O)=O)C1 2157650608 PVTAHBKVPKFOFI-UHFFFAOYSA-N 301.328 -0.191 5 10 DBBE CCS(=O)(=O)C[C@H](C)Nc1ncnc(NN)c1[N+](=O)[O-] 2170588476 AFWGJJARUHZICJ-LURJTMIESA-N 304.332 -0.095 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCS(=O)(=O)[C@@H](C(=O)O)C1 2197721830 DTSNYTJFWSDAHE-SSDOTTSWSA-N 304.284 -0.984 5 10 DBBE CS(=O)(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)O 2360582035 OMJBTENKRSJICM-LURJTMIESA-N 305.268 -0.850 5 10 DBBE COCCNC(=O)CN1C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])nc21 75257850 VYCXCYRMYCEPBL-MRVPVSSYSA-N 324.293 -0.134 5 10 DBBE N[C@@H](CN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O)C(=O)O 88117649 VATZRTAKQLZDFN-ZETCQYMHSA-N 315.263 -0.849 5 10 DBBE COCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 490052931 IPTSUACKVGQXLB-YPMHNXCESA-N 314.342 -0.111 5 10 DBBE O=C(C[C@@]1(C(=O)O)CCOC1)NCCn1cc([N+](=O)[O-])cn1 594661945 SKZRZBJDMYVCLS-LBPRGKRZSA-N 312.282 -0.211 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1c([N+](=O)[O-])c(C)nn1C 596433484 HBQLJEZAHARZDV-JGVFFNPUSA-N 304.328 -0.139 5 10 DBBE CCC(=O)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599331855 YNRIVCFUJBEADC-UHFFFAOYSA-N 317.327 -0.471 5 10 DBBE CCN(CCS(C)(=O)=O)c1nc(NN)ncc1[N+](=O)[O-] 688560511 NNOVRNBUIZQPNA-UHFFFAOYSA-N 304.332 -0.459 5 10 DBBE NNc1ncc([N+](=O)[O-])c(N2CCSC[C@H]2CCO)n1 689676865 HWLHFCGSOGCMDJ-SSDOTTSWSA-N 300.344 -0.025 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N[C@@H]1CNC[C@@H]1O 699961415 DRKZHNJNCMURIN-APPZFPTMSA-N 305.287 -0.655 5 10 DBBE C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1(S(C)(=O)=O)CC1 1117297933 WUBSDUUZYSOPLP-SSDOTTSWSA-N 317.327 -0.732 5 10 DBBE O=C1NC(=O)[C@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 1158803734 KWDRXNBDEJBVFT-AXFHLTTASA-N 319.273 -0.641 5 10 DBBE NC(=O)CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1=O 1161394423 YKDHRIAZAIGKPO-UHFFFAOYSA-N 312.307 -0.574 5 10 DBBE CNc1nccc(C(=O)NN2C(=O)[C@H](C)N(C)C2=O)c1[N+](=O)[O-] 1167405518 TYBUASOJQLVUSZ-LURJTMIESA-N 322.281 -0.041 5 10 DBBE Cc1[nH]nc(C(=O)NC[C@@]2(OCCO)CCOC2)c1[N+](=O)[O-] 1334501048 ZPVFVDPEYMFHFE-LBPRGKRZSA-N 314.298 -0.476 5 10 DBBE O=C(NCCCN(C(=O)c1cnn[nH]1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1523997736 BXKNGDYZEMZDSP-MWLCHTKSSA-N 322.325 -0.419 5 10 DBBE CCN1C[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 1583742507 CIKQLRTUFUUUAT-JTQLQIEISA-N 322.321 -0.259 5 10 DBBE C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C 1628390746 YOZUUWKCFHXWNV-ONGXEEELSA-N 322.369 -0.064 5 10 DBBE CCN(CCNC(=O)c1cncnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721141630 ZCJQYARZNYJLLB-GHMZBOCLSA-N 307.310 -0.280 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@H]2CCO[C@H]2C(N)=O)c1[N+](=O)[O-] 2174107385 NYONCSZHBFZTOE-CAHLUQPWSA-N 301.690 -0.177 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CC[C@@](O)(CO)[C@H](O)C1 2234101876 WKTSCTJVCVKIMR-LHLIQPBNSA-N 304.690 -0.667 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC2CC(O)(CO)C2)c1 2284570732 JUNNPOTXXKTSKY-UHFFFAOYSA-N 302.308 -0.241 5 10 DBBE O=[N+]([O-])c1ccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 13520501 IXFOBQXJWRLXMD-ZIQFBCGOSA-N 317.319 -0.513 5 10 DBBE in-vivo Cc1nn(CC(=O)N[C@@H](CCO)C(=O)O)c(C)c1[N+](=O)[O-] 40697301 JIJQBMUQLOAEKW-QMMMGPOBSA-N 300.271 -0.640 5 10 DBBE O=[N+]([O-])c1ccc(CO)cc1O[C@@H]1CS(=O)(=O)C[C@H]1O 50517805 GOSKYPUSFBTUMG-MWLCHTKSSA-N 303.292 -0.376 5 10 DBBE CNc1ccc(S(=O)(=O)N(CCO)CCO)cc1[N+](=O)[O-] 50669677 JWWZAVCRNBGXOX-UHFFFAOYSA-N 319.339 -0.388 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC[C@@H]2CO)c1 168656318 CIVHJNSKFJSFTM-JTQLQIEISA-N 302.308 -0.023 5 10 DBBE COCCCOC1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 184657724 FASYAUXZYMLUCN-LBPRGKRZSA-N 314.342 -0.111 5 10 DBBE CN(C)S(=O)(=O)CCNC(=O)c1cccc(O)c1[N+](=O)[O-] 291986507 KIPZHBQEEUZWJD-UHFFFAOYSA-N 317.323 -0.078 5 10 DBBE CNc1nccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] 573107612 XGMXOSUBKXGTGP-CQSZACIVSA-N 319.321 0.384 5 10 DBBE CN(C)C[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 717331917 NCAZREBIIABODE-SNVBAGLBSA-N 303.340 -0.204 5 10 DBBE CC(=O)OC[C@H](CO)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1138190937 PAJPNBKKWCGQBS-CMPLNLGQSA-N 312.278 -0.332 5 10 DBBE CNC(=O)NC[C@H]1COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] 1302863200 KHMBPNGYVDZDMX-JTQLQIEISA-N 316.358 -0.022 5 10 DBBE Cn1cc(CN2CCCC[C@H]2CS(N)(=O)=O)c([N+](=O)[O-])n1 1308010067 YCAVAKNVRGOYRY-JTQLQIEISA-N 317.371 -0.029 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(Cn2cncn2)CC1 1320486005 JNPVOPMBKRJIJV-UHFFFAOYSA-N 320.313 -0.283 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3nccnn3)CC2)n1 1330107570 FKQREAQILAPKKD-UHFFFAOYSA-N 318.297 -0.524 5 10 DBBE Cc1ccnc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1491686542 ONXAQTXHGVOVTG-NXEZZACHSA-N 307.310 -0.314 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1C[C@@H]2CCCCN2C1=O 1528070935 ACDKSLHERRMBNU-IUCAKERBSA-N 308.298 -0.544 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1CC(N[C@H]2CCOC2)C1 1597701987 XYNQPPSFADGZDK-JTQLQIEISA-N 309.326 -0.229 5 10 DBBE COC(=O)[C@H]1CN(C)C(=O)CN1CCn1ccc([N+](=O)[O-])n1 1656388316 KAKXIQGOMCFUQM-SECBINFHSA-N 311.298 -0.893 5 10 DBBE NC(=O)CCCCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1745934856 HIQQIBVPCKBXGX-NXEZZACHSA-N 312.326 -0.976 5 10 DBBE O=C1NC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])O1 1963623056 MSMBUJWYLRZCQR-ZETCQYMHSA-N 301.280 -0.019 5 10 DBBE Cc1cc(=NCCCNS(N)(=O)=O)[nH]c(C)c1[N+](=O)[O-] 2174247952 JQVPEZHNPFQQQR-UHFFFAOYSA-N 303.344 -0.376 5 10 DBBE NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)c([N+](=O)[O-])c1 26838788 QQQVGFJTVPMUPD-UHFFFAOYSA-N 324.336 -0.602 5 10 DBBE CNCc1cc([N+](=O)[O-])ccc1O[C@H]1CS(=O)(=O)C[C@H]1O 37710083 ZLHCKHGSGBYUQX-PWSUYJOCSA-N 316.335 -0.149 5 10 DBBE COc1cc(C(N)=S)cc([N+](=O)[O-])c1OC[C@H](O)CO 76854956 JDUGHXPBEHMNKN-SSDOTTSWSA-N 302.308 -0.030 5 10 DBBE CC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)CC1 127180181 WSSFARMHPYCCGT-UHFFFAOYSA-N 322.321 -0.244 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CN2CCN1CC2 269495056 ORWFONCRFDSSHH-JTQLQIEISA-N 306.326 -0.500 5 10 DBBE O=C1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C(=O)N1 269642848 XZUCWVZJSMQDQZ-SNVBAGLBSA-N 307.262 -0.105 5 10 DBBE NNc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](O)C1 313615573 DXGCMPUBZDUGSJ-SSDOTTSWSA-N 302.312 -0.364 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@H]1O 323369946 DIMFPITYSWQCMX-RKDXNWHRSA-N 303.296 -0.785 5 10 DBBE Cn1c(C(=O)N[C@@H](CO)CN2CCOCC2)ccc1[N+](=O)[O-] 330605983 ZQHLIIBWZLTFEC-SNVBAGLBSA-N 312.326 -0.644 5 10 DBBE NS(=O)(=O)C[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 357944734 NMNMUXRVCZEAFR-SECBINFHSA-N 303.344 -0.456 5 10 DBBE O=C1CCCN1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593642054 YAZZDEHDZRFUJK-UHFFFAOYSA-N 314.323 -0.110 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)COc1cccc([N+](=O)[O-])c1 600241677 NNUUUBPJQBSBJG-KOLCDFICSA-N 309.278 -0.579 5 10 DBBE Nc1sc(S(=O)(=O)N[C@H]2COCC[C@@H]2O)cc1[N+](=O)[O-] 710874632 NQAOYSQHKPSHHE-FSPLSTOPSA-N 323.352 -0.333 5 10 DBBE Cn1cc(C[C@H](O)C(=O)OCCn2cc([N+](=O)[O-])cn2)cn1 786852633 HXFZWAAUVVGMHG-NSHDSACASA-N 309.282 -0.328 5 10 DBBE C[S@](=O)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCC1 1116893771 VZRHPKXVTYIIAJ-FQEVSTJZSA-N 301.328 -0.396 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC(N2CCOCC2)C1 1118879186 TZRKKMORZQSQJH-UHFFFAOYSA-N 309.326 -0.229 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)[C@@H]2CCOC2)n1 1319937117 DUWBLRAVENBFAT-ZCFIWIBFSA-N 304.284 -0.823 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccncn1 1351467635 YRNHMBJCOBDZED-MWLCHTKSSA-N 307.310 -0.280 5 10 DBBE CNS(=O)(=O)CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 1460622217 UHVNDLWGKLEJNX-LBPRGKRZSA-N 317.367 -0.059 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](O)[C@@H](CO)C2)s1 1559209090 LCMSUYVMWMPCAA-HTRCEHHLSA-N 322.364 -0.151 5 10 DBBE CC(C)NC(=O)[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1570338084 XEZZJWHMPWKRAY-SECBINFHSA-N 310.310 -0.214 5 10 DBBE CCN1C[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 1583742508 CIKQLRTUFUUUAT-SNVBAGLBSA-N 322.321 -0.259 5 10 DBBE CCC[C@H](O)[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1637665315 CROWFANXYASXJA-QWRGUYRKSA-N 313.310 -0.605 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN1CC(O)(CNC(=O)CC2CC2)C1 1672048803 QXZXESNXHVIJTB-UHFFFAOYSA-N 323.353 -0.209 5 10 DBBE O=CNCCCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1 1859150839 MVOWJHFJMDAYIN-UHFFFAOYSA-N 308.294 -0.423 5 10 DBBE O=C(NCCO)[C@@H]1C[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1 1861037417 GLDGXGXCTVXLNR-RYUDHWBXSA-N 323.305 -0.721 5 10 DBBE NC(=O)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1)C1CC1 2152796229 SLLPIWOBTFMJFX-SSDOTTSWSA-N 320.352 -0.219 5 10 DBBE O=[N+]([O-])c1cnc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c(Cl)c1 2183718027 QNXXABTUUBLFRP-IUCAKERBSA-N 301.686 -0.046 5 10 DBBE CN1CCN(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 40609822 RMYIXUMETHXIBE-UHFFFAOYSA-N 323.357 -0.204 5 10 DBBE Nc1cccc(S(=O)(=O)N[C@H]2CCCNC2=O)c1[N+](=O)[O-] 126938416 FDHLNRPYLUERNQ-QMMMGPOBSA-N 314.323 -0.266 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)c(F)c1 236532097 PQSWCLKOLDTWDE-RKDXNWHRSA-N 306.271 -0.540 5 10 DBBE COC[C@@H](C(N)=O)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 339354051 FHVRXWICTIQIDW-LBPRGKRZSA-N 324.337 -0.010 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1N1CC(n2cc(C(N)=O)nn2)C1 361045052 VTFKWUYFPJKFHI-UHFFFAOYSA-N 320.313 -0.129 5 10 DBBE C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594765196 UJVWFTXSJLKBMF-BDAKNGLRSA-N 317.323 -0.240 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H](O)C2(C)C)n1 599280032 ABSYOCXYJWJZAN-SFYZADRCSA-N 304.328 -0.234 5 10 DBBE CC(C)N(CCS(C)(=O)=O)C(=O)Cn1cnc([N+](=O)[O-])n1 1324381901 SIMFBJOCORHSLY-UHFFFAOYSA-N 319.343 -0.532 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2ncns2)CC1 1329325044 HDUYPTIKQGOBBZ-UHFFFAOYSA-N 324.326 -0.613 5 10 DBBE O=C1NC(=O)C2(CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)N1 1472358351 SAMITQWKCJJOKS-UHFFFAOYSA-N 308.225 -0.232 5 10 DBBE Cn1nccc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1535255018 RBMWQGAUDDOGAH-PSASIEDQSA-N 307.310 -0.536 5 10 DBBE NS(=O)(=O)C1CN(CCOc2ccc([N+](=O)[O-])cc2)C1 1653854168 COMHIWAPJCHQHP-UHFFFAOYSA-N 301.324 -0.054 5 10 DBBE Cn1cc(C(=O)NC[C@@H]2CN3CCN2CC3)cc([N+](=O)[O-])c1=O 1890803325 DQQOIOAYSMNAIE-LLVKDONJSA-N 321.337 -0.977 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NCCn1ncc(Br)n1 2059141809 JEQLKHVJGFGBLW-UHFFFAOYSA-N 317.107 -0.389 5 10 DBBE COc1nc(=NCCS(=O)(=O)C2CC2)[nH]cc1[N+](=O)[O-] 2290135442 GGOOOTAPXGCGRP-UHFFFAOYSA-N 302.312 -0.196 5 10 DBBE O=[N+]([O-])c1cnc2ccc(NC[C@H](O)CN3CCOCC3)nn12 301909132 FKEDBTHJTQOYLM-JTQLQIEISA-N 322.325 -0.258 5 10 DBBE C[C@@H](C(N)=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 301916148 DOHOBTMXVZHXIN-VIFPVBQESA-N 319.325 -0.367 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NCC2(O)CNC2)c1 312228247 JBMDINAYDJTYIK-UHFFFAOYSA-N 305.287 -0.654 5 10 DBBE CNS(=O)(=O)NCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 339238585 USUGXEBSNSCMEP-UHFFFAOYSA-N 316.339 -0.393 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCNC[C@H]2C(F)F)c1 923352731 QPMLISFFMAMVOG-ZJUUUORDSA-N 305.285 -0.309 5 10 DBBE COC[C@]1(CO)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 1194410689 VSEBTRBCPVKTTB-QWHCGFSZSA-N 314.342 -0.517 5 10 DBBE O=C(CCc1cn[nH]c1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1293307644 VYQLDMNCRMBZFK-GHMZBOCLSA-N 309.326 -0.370 5 10 DBBE O=C(CCn1cncn1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357584428 RUFVGIQBJSWGGQ-JLVKAVFRSA-N 322.325 -0.878 5 10 DBBE Cc1nnc(N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)n1C 1452684354 LQMJPOKLIAHLLS-UHFFFAOYSA-N 320.313 -0.283 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](O)CS(C)(=O)=O 1458671137 YFPQACUMJUMCSS-QMMMGPOBSA-N 306.344 -0.063 5 10 DBBE O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cn1 1636775420 FITBCFWGEDNYCC-LLVKDONJSA-N 315.307 -0.731 5 10 DBBE N=c1nc(N2CC(NC(=O)C(F)(F)F)C2)c([N+](=O)[O-])c[nH]1 1962054120 BJVGTAPOXQENIU-UHFFFAOYSA-N 306.204 -0.336 5 10 DBBE NC[C@@]1(CO)COCCN1c1nc(Cl)ncc1[N+](=O)[O-] 2162789819 KPPMNTXRQFPVEG-SNVBAGLBSA-N 303.706 -0.435 5 10 DBBE NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cncc([N+](=O)[O-])c1 2181126806 KEGCCJGCHKIWOP-IONNQARKSA-N 302.312 -0.928 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NC[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)[nH]1 2239199143 XMBVIRINXCLOCN-AYMMMOKOSA-N 300.340 -0.064 5 10 DBBE NNc1cccc(S(=O)(=O)N=c2nc[nH]s2)c1[N+](=O)[O-] 2240956289 YXFBIKVXGOAXLD-UHFFFAOYSA-N 316.324 -0.045 5 10 DBBE CO[C@@H](CO)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2295306125 RLLGHMUQGKRVAC-SSDOTTSWSA-N 306.296 -0.414 5 10 DBBE O=C1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)N1 89756244 UIISNZULNNBGHX-ZETCQYMHSA-N 313.291 -0.322 5 10 DBBE Cc1cnc(S(=O)(=O)CCS(N)(=O)=O)cc1[N+](=O)[O-] 133859454 LICSBGGNHSIGCI-UHFFFAOYSA-N 309.325 -0.640 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 136251217 ILVKOEHWYJFJLU-LURJTMIESA-N 302.312 -0.281 5 10 DBBE O=C1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]2CCCC[C@H]2N1 344199319 JCXOUYXYVUPYFP-RKDXNWHRSA-N 308.298 -0.544 5 10 DBBE C[C@@H](O)[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCO1 594784046 ZPSREHKHFGEPQV-SCZZXKLOSA-N 317.323 -0.240 5 10 DBBE C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCNC1 599097744 MGWRIQSFMLVYAR-DTWKUNHWSA-N 317.371 -0.005 5 10 DBBE CCN1C(=O)[C@@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCN2C1=O 611212297 AVWIJHSRCMHWKK-QMMMGPOBSA-N 322.281 -0.574 5 10 DBBE O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCNCCNCC2)c1 923460354 MQSPJWDLGRQAGF-AWEZNQCLSA-N 324.381 -0.171 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC(=O)C[C@]1(C)CCS(=O)(=O)N1 1269827389 GEVOPBPQYKUQNV-JTQLQIEISA-N 317.327 -0.261 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CNC(C)=O 1352152836 YNTSDJFXZSPGPW-GHMZBOCLSA-N 314.342 -0.858 5 10 DBBE C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)CN1CCO 1559215440 AXWWMGNREUJNAM-NXEZZACHSA-N 323.353 -0.020 5 10 DBBE COc1nn(C)cc1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1617017585 KTDNQWVUAAAEFA-UHFFFAOYSA-N 321.293 -0.185 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cnon1 1664260210 HDINJEMQOJPXLL-UHFFFAOYSA-N 309.286 -0.427 5 10 DBBE CCn1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 1705260702 CGOMWZLATBHIHK-PSASIEDQSA-N 322.325 -0.658 5 10 DBBE CCc1nocc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1716936866 ZUNJLZCVLCMCAS-ZYHUDNBSSA-N 324.337 -0.435 5 10 DBBE NC(=O)C1(N)CN(c2ncc(Br)cc2[N+](=O)[O-])C1 2047097211 MKUIEXHBVHISEE-UHFFFAOYSA-N 316.115 -0.245 5 10 DBBE CN1[C@H](CN=c2[nH]c(Cl)ncc2[N+](=O)[O-])CCS1(=O)=O 2145345845 FXSSBNFWHBQLGN-LURJTMIESA-N 321.746 -0.094 5 10 DBBE Cc1ccc(C(=O)NCCNS(N)(=O)=O)cc1[N+](=O)[O-] 2157538355 YRMUUCZCOATGTE-UHFFFAOYSA-N 302.312 -0.574 5 10 DBBE CO[C@@H](CCO)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 2168517983 PFBCBKHYDCFLIW-VIFPVBQESA-N 305.312 -0.335 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC2(CO)CO)cn1 2194356729 MOAAGFPQWZJPNM-UHFFFAOYSA-N 303.296 -0.892 5 10 DBBE Cc1ncc([N+](=O)[O-])c(=N[C@H](C)CS(=O)(=O)N(C)C)[nH]1 2286676384 NMJPVXBJIMCONU-SSDOTTSWSA-N 303.344 -0.193 5 10 DBBE CN(C)CCCNS(=O)(=O)c1cnc(N)c([N+](=O)[O-])c1 62431262 KAMVVSOBPDMVRR-UHFFFAOYSA-N 303.344 -0.198 5 10 DBBE COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCNC=O 170397995 ILSMNGOESIYAJH-UHFFFAOYSA-N 324.293 -0.206 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)CCCO)nc1 593551987 AITRXLNUVMRVIO-UHFFFAOYSA-N 305.312 -0.645 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](CN)C1 595109550 WUMKHTAQLFMITC-JTQLQIEISA-N 315.355 -0.747 5 10 DBBE CS(=O)(=O)NC1CN(c2cccc(NN)c2[N+](=O)[O-])C1 703147040 ZHPRXKGAJSREBD-UHFFFAOYSA-N 301.328 -0.382 5 10 DBBE CS(=O)(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)COC1 1143730033 HDRXAPMNOOIIDX-UHFFFAOYSA-N 303.296 -0.534 5 10 DBBE CN(C(=O)Cn1cnc(C(N)=O)n1)c1ccc([N+](=O)[O-])cc1 1351682229 DSIMAQWNXOFAGH-UHFFFAOYSA-N 304.266 -0.052 5 10 DBBE Cc1nn(CCC(=O)N2CC[C@@H](O)[C@@H](O)C2)c(C)c1[N+](=O)[O-] 1454781755 ASRXGMLVSCRNLM-MNOVXSKESA-N 312.326 -0.248 5 10 DBBE Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cnn1 1535254978 PDICMXJVVLNKGW-GHMZBOCLSA-N 319.321 -0.171 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(CO)C(=O)OC)n1 1556975698 REJXNJLQLDXYET-NSHDSACASA-N 300.271 -0.535 5 10 DBBE O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1)c1ccc([N+](=O)[O-])[nH]1 1636389224 BIDCSFOFOJHQQQ-KHUVANEUSA-N 318.245 -0.494 5 10 DBBE CCC[C@@H](O)[C@@H](CO)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1642391240 ABTBACCDJKTQAR-MWLCHTKSSA-N 313.310 -0.605 5 10 DBBE O=C1NC(=O)C2(CN(c3ncnc4ccc([N+](=O)[O-])cc34)C2)N1 1652323747 RFOWMBWUEGNNOX-UHFFFAOYSA-N 314.261 -0.064 5 10 DBBE Cc1ncncc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689242782 KUEWJCVHIYJQHH-RXUHEVMZSA-N 319.321 -0.148 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)NCCO)c1 1859214409 ASKACCDWWRLUDA-QMMMGPOBSA-N 311.294 -0.170 5 10 DBBE CN=c1[nH]c(N[C@]2(C)CCS(=O)(=O)C2)ncc1[N+](=O)[O-] 2157682165 NMUSKFBWAWFUAR-SNVBAGLBSA-N 301.328 -0.163 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@H](O)C[C@H]2O)c1 2164975542 CYJWJXMFDFMTGM-JMJZKYOTSA-N 302.308 -0.243 5 10 DBBE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ncc([N+](=O)[O-])c(=N)[nH]1 2170260637 LEASSMJIAXMZNQ-NKWVEPMBSA-N 301.328 -0.191 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[P@](C)(=O)C[C@H]2O)n1 2186550813 BTLHJVVCQJMDBH-XMTZQAPESA-N 302.227 -0.206 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2289486114 SAQJHQFYICIPMH-GEVIPFJHSA-N 304.690 -0.812 5 10 DBBE O=[N+]([O-])c1ccc(NCCS(=O)(=O)CCO)c(CO)c1 2360985766 CGDKRKAQZIHULD-UHFFFAOYSA-N 304.324 -0.094 5 10 DBBE C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O 20020487 PEGUIDNKOHOUIF-SSDLBLMSSA-N 320.279 -0.587 5 10 DBBE O=C(O)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 20544993 LVPLNVXNQLJWRN-LURJTMIESA-N 308.243 -0.542 5 10 DBBE NC(=O)[C@H]1CNCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 88664915 PTIMGEOOGZAPHD-SNVBAGLBSA-N 314.323 -0.957 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](O)CO1 312808553 RPEFNTGUFVHWQZ-QMMMGPOBSA-N 304.280 -0.100 5 10 DBBE CN(Cc1nnnn1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 341585490 NHZUENHTOSXAKP-NSHDSACASA-N 322.325 -0.010 5 10 DBBE C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594772372 JHIJMODAYXWHAY-LLVKDONJSA-N 314.323 -0.124 5 10 DBBE CCN1CC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 619798293 MRIVBKAQIOFRTK-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE Cn1ncnc1C1(O)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 1303145236 ILAFSDFSGMROHU-UHFFFAOYSA-N 319.277 -0.228 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCN(CC[S@](C)=O)CC2)n1 1306976297 WXTDFWZZXPWDCQ-FQEVSTJZSA-N 301.372 -0.171 5 10 DBBE CN(C)CC1(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1357809306 QPTVQIAXMAACAS-BLDJZWNYSA-N 324.381 -0.218 5 10 DBBE CCOCCOCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1536091571 YQBBZLSJCDKMMH-UHFFFAOYSA-N 313.310 -0.074 5 10 DBBE Cc1nc(N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)n[nH]1 1557311441 BFYBPGHEKJCBIP-UHFFFAOYSA-N 306.286 -0.293 5 10 DBBE O=C(Cc1cc[nH]n1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1584954624 ZNBXKCSIQRFMOY-NXEZZACHSA-N 307.310 -0.618 5 10 DBBE Cc1nc(Cl)nc(N2CC(S(N)(=O)=O)C2)c1[N+](=O)[O-] 1914998216 LFGSMSRGFBQJFL-UHFFFAOYSA-N 307.719 -0.176 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1N=c1[nH]c(Cl)ncc1[N+](=O)[O-] 2192681144 ZVPCEWVXINVBJH-IYSWYEEDSA-N 321.746 -0.743 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2C(=O)[C@@H]3CC[C@H]3S2(=O)=O)n1 2283221794 UASQUDZPXFPVRD-HZGVNTEJSA-N 300.296 -0.221 5 10 DBBE O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1NC[C@@H](O)[C@H]1O 2357926378 FSHRUCMRZSCBFM-KXUCPTDWSA-N 301.686 -0.120 5 10 DBBE Cc1ncc([N+](=O)[O-])c(N[C@H](CS(C)(=O)=O)C(=O)O)n1 2360575339 OEIZUISXPOZUAF-ZCFIWIBFSA-N 304.284 -0.397 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1N 88378229 QDIXZXUMVZNIAR-LLVKDONJSA-N 317.323 -0.091 5 10 DBBE Nc1cc(S(=O)(=O)N2CCCNC(=O)C2)ccc1[N+](=O)[O-] 132835941 WLUUNTLDISRONG-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE NC(=O)[C@@]1(O)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 276493506 ODDRVWYLUDWUCM-CYBMUJFWSA-N 308.294 -0.545 5 10 DBBE C[C@@H](O)[C@H](N)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 312567720 LFFGNZNQNLAOKF-HTRCEHHLSA-N 307.303 -0.280 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCS(=O)CC1 313654536 JWXGPVVBNFWNAW-UHFFFAOYSA-N 319.364 -0.070 5 10 DBBE NS(=O)(=O)c1cccc(N2CCNC(=O)CC2)c1[N+](=O)[O-] 352357972 RETAWHFPODXGJQ-UHFFFAOYSA-N 314.323 -0.432 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCO[C@@H]1C(=O)O 1331827851 TUNRARDUKOEYDQ-KWQFWETISA-N 312.282 -0.294 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@]2(C(=O)OC)CCOC2)n1 1355584588 BMVQIGAYNBXBPC-GFCCVEGCSA-N 312.282 -0.127 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1C[C@H]2CCCCN2C1=O 1528070936 ACDKSLHERRMBNU-RKDXNWHRSA-N 308.298 -0.544 5 10 DBBE CN(C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)S(C)(=O)=O 1544434671 WDAJEEXPJZYPAX-HBNTYKKESA-N 319.383 -0.218 5 10 DBBE CNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 1645057116 PRANKQVHWBMTLV-UHFFFAOYSA-N 323.353 -0.173 5 10 DBBE NS(=O)(=O)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F 1968841512 VSMFEJHTLKVRRZ-UHFFFAOYSA-N 305.287 -0.319 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1[nH]c(=N)ccc1[N+](=O)[O-] 2192658223 LOOOFYXNQSACCA-POYBYMJQSA-N 301.328 -0.801 5 10 DBBE CS(=O)(=O)CC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cn1 2202440604 APPGWSWFKXRGHD-MRVPVSSYSA-N 302.312 -0.310 5 10 DBBE NNc1ncc([N+](=O)[O-])c(=NCCS(=O)(=O)C(F)F)[nH]1 2232504166 HRAQZNBGLXALHW-UHFFFAOYSA-N 312.258 -0.858 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCS(N)(=O)=O 40384131 CNFQDRITAWSUQP-UHFFFAOYSA-N 323.352 -0.530 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](O)C(N)=O 227838569 WVGUAETUGLVVAS-MRVPVSSYSA-N 303.296 -0.972 5 10 DBBE CO[C@@H]1C[C@H](C(=O)O)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 262200163 VWHNYNNPMWSZEF-RKDXNWHRSA-N 312.282 -0.200 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1COC[C@H]1O 323141352 XYWHMQVVKLNXBR-VHSXEESVSA-N 302.308 -0.059 5 10 DBBE C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599330420 YPSFQKPWSZAHCY-HTQZYQBOSA-N 304.328 -0.138 5 10 DBBE O=[N+]([O-])c1cccc(CS(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)c1 611033397 BRILMSSQTVXWIG-TXEJJXNPSA-N 316.335 -0.148 5 10 DBBE CN(C)C[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 716779620 PSLPPMQSSFCVJV-MRVPVSSYSA-N 304.328 -0.809 5 10 DBBE CC(C)NC(=O)[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1299372132 YLRGYMAFZAQZOZ-SECBINFHSA-N 310.310 -0.214 5 10 DBBE C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ncn(C)n1 1329785440 RCYBFGWKDXHALV-ZCFIWIBFSA-N 315.315 -0.504 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H](O)[C@H]1CCCO1 1453441396 ZWERNJXDGVWZSH-VXGBXAGGSA-N 311.294 -0.587 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCCS(=O)(=O)CC2)n1 1585508341 HSIDXDJSLHYJAL-UHFFFAOYSA-N 302.312 -0.411 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2[C@H]1CCCN2CCO 1648401883 DUIKUWQATUKRNZ-NWDGAFQWSA-N 323.353 -0.151 5 10 DBBE COC(=O)CNC(=O)[C@H]1CCCN1c1c([N+](=O)[O-])ncn1C 1651163323 AYVLZEOHPLUTLL-MRVPVSSYSA-N 311.298 -0.414 5 10 DBBE Cc1nnccc1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688356422 AHMLUPLOXJEUSU-GHMZBOCLSA-N 307.310 -0.362 5 10 DBBE CC1(C(=O)NCCN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 1744087393 FWAHYFLPUYYXAW-VXGBXAGGSA-N 324.381 -0.288 5 10 DBBE C[C@H](O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](O)[C@H]2CO)s1 2201009548 XNXVOXRRFNHDAL-WXKLWKFWSA-N 304.324 -0.388 5 10 DBBE O=[N+]([O-])c1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)c(CO)c1 2205292806 ULFHGUGKQUKFOQ-QWRGUYRKSA-N 302.308 -0.343 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1)C(N)=O 35796760 SECOIUQFJYICRL-YFKPBYRVSA-N 303.300 -0.968 5 10 DBBE CCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 37900535 KDWFWKYONNHXNX-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE CNc1cccc(S(=O)(=O)N[C@H](C)C(N)=O)c1[N+](=O)[O-] 126924247 HJIIJDLSSHONHF-ZCFIWIBFSA-N 302.312 -0.211 5 10 DBBE NCCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 698617619 BOLNWIRZDPXIDG-UHFFFAOYSA-N 304.328 -0.367 5 10 DBBE CS(=O)(=O)c1cccc(O[C@H](CN)C(=O)O)c1[N+](=O)[O-] 715433858 FUDKJORDRJBDFZ-SSDOTTSWSA-N 304.280 -0.211 5 10 DBBE CNS(=O)(=O)CCCOC(=O)Cn1cc([N+](=O)[O-])cn1 777058252 CMHYXSBJNYIAIQ-UHFFFAOYSA-N 306.300 -0.726 5 10 DBBE CCn1cnc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 1506049238 UMJOJKDZFDQQFY-MWLCHTKSSA-N 321.337 -0.053 5 10 DBBE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1634456474 ORRBVLUTAUJUFL-DDHJBXDOSA-N 302.327 -0.476 5 10 DBBE CCOC(=O)[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CCO1 1640156181 NKTZSMMBPCPHSJ-JTQLQIEISA-N 324.293 -0.024 5 10 DBBE O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccnc(C2CC2)n1 1703177919 IKRIEBQLSCPORD-MWLCHTKSSA-N 319.321 -0.135 5 10 DBBE Cc1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 1747109284 DKGQXSDATMHHHY-ANDSXOESSA-N 321.337 -0.204 5 10 DBBE NC(=O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)O 1866092221 QMTFJRBBBXMAEG-ZETCQYMHSA-N 311.250 -0.251 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1N 2179201166 GXNQCDLJLDUHLS-GHMZBOCLSA-N 301.324 -0.059 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CC2(C1)OC[C@@H](O)[C@@H]2O 2183723268 YCTWFULATXHCPQ-APPZFPTMSA-N 300.292 -0.397 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)CCS(N)(=O)=O 2193210431 QKUHWNGXFPLFEV-UHFFFAOYSA-N 324.336 -0.334 5 10 DBBE CS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(NN)c1 54415476 WAUUJBCCAPIIPZ-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@](O)(C(N)=O)C1 276487650 UNSWWZHDGXQOTK-XPTSAGLGSA-N 322.321 -0.156 5 10 DBBE CN1CCO[C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@H]21 284455909 KYRQJGKIZFXYAG-QWRGUYRKSA-N 309.326 -0.277 5 10 DBBE CN(C)[C@H]1[C@@H]2CN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])C[C@@H]21 600668807 ATTRQCDGFFPKKB-MBTKJCJQSA-N 315.355 -0.491 5 10 DBBE O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])o1 1140884637 KZWTYGVOFZPQDW-JTQLQIEISA-N 304.280 -0.533 5 10 DBBE CC(C)N(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC(N)=O 1296698380 IBJJXKWIMSEOHQ-NXEZZACHSA-N 314.342 -0.730 5 10 DBBE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 1318561671 QMBHLDORMKVAGI-JGVFFNPUSA-N 319.343 -0.534 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)O)[C@@H]2CCCOC2)n1 1344557246 SVVLHJGSHVNFRV-VXNVDRBHSA-N 312.282 -0.062 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 1584199479 UHBUZICRICXJJV-PWSUYJOCSA-N 323.353 -0.001 5 10 DBBE COC(=O)[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CCO1 1627046920 ABMSRLMARWCWBH-SECBINFHSA-N 310.266 -0.414 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2[C@@H]1CCCN2CCO 1646490344 YYHIIGDZCBSIAK-MNOVXSKESA-N 309.326 -0.011 5 10 DBBE Cc1nn(C)cc1CC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688325689 MGNBVWKOSZMQFA-VXGBXAGGSA-N 323.353 -0.489 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1ccnc1 1688397797 LFWBXMGWJYIQEM-GHMZBOCLSA-N 309.326 -0.487 5 10 DBBE CN(CCCNCCN1CCNC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1716540488 HNYLULDNCYURGO-GHMZBOCLSA-N 313.358 -0.885 5 10 DBBE N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2148816647 SJRZCGLOJXJDTB-MNOVXSKESA-N 301.324 -0.011 5 10 DBBE CS(=O)(=O)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(=N)[nH]1 2157639645 MQTHFIHPHQIFPB-ZETCQYMHSA-N 301.328 -0.189 5 10 DBBE C[S@](=O)(CC1CNC1)=NC(=O)Cn1ccc([N+](=O)[O-])n1 2165757053 YGVVOSWPDGMDGV-FQEVSTJZSA-N 301.328 -0.365 5 10 DBBE C[C@@H](O)[C@H](CO)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2174123529 MIHLWPPBWUKAIN-SCZZXKLOSA-N 304.324 -0.244 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@](C)(N)CO 2181129109 LDILLPSPMDELSS-NSHDSACASA-N 303.340 -0.109 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@]1(F)CCOC1 2238259560 AHBADRYPPVYESJ-SECBINFHSA-N 308.291 -0.124 5 10 DBBE COc1nccc(O[C@H]2CS(=O)(=O)C[C@H]2N)c1[N+](=O)[O-] 2288652362 YAOOTAUAEDNRLD-SVRRBLITSA-N 303.296 -0.499 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)NC2CC2)c1 50657927 KPXGRVWDBKRMHB-UHFFFAOYSA-N 314.323 -0.266 5 10 DBBE CC1(C)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCS1(=O)=O 153913186 BNHJYCZLPLZGON-UHFFFAOYSA-N 302.312 -0.033 5 10 DBBE Cc1nn(C)c(C(=O)N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-] 187263183 NFZIDCAVCSHPEA-SECBINFHSA-N 311.342 -0.225 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CN(c2ccccc2)C1=O 344270469 DXLXAJQAQXBQQP-JTQLQIEISA-N 316.277 -0.282 5 10 DBBE NC(=O)CN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1=O 459694883 ISMOKEFGBRSDJS-UHFFFAOYSA-N 306.322 -0.233 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](Cn3ccnn3)C2)c1 595609642 ZPJQNFGPNZCLDB-DGCLKSJQSA-N 321.341 -0.234 5 10 DBBE CNC(=O)CN(CC(=O)NC)Cc1ccc([N+](=O)[O-])cc1OC 1197514954 URZONSVPLJRWTG-UHFFFAOYSA-N 324.337 -0.103 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCc1cn2c(n1)SCC2 1321748897 PYTJDYSJOFGZTM-UHFFFAOYSA-N 323.338 -0.153 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCOCCCO)nc1 1326463749 NZTSDAUTCWEXHM-UHFFFAOYSA-N 305.312 -0.333 5 10 DBBE CCNC(=O)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331552386 FFYHBFXUHLJELE-UHFFFAOYSA-N 305.316 -0.915 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 1536608727 ISTIVJVUDAHGNJ-KYZUINATSA-N 316.339 -0.208 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](CO)C2)s1 1559209092 LCMSUYVMWMPCAA-SVRRBLITSA-N 322.364 -0.151 5 10 DBBE COC(=O)[C@]1(O)CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 1643516991 ZEUDUTZLUVXTDP-FZMZJTMJSA-N 324.289 -0.235 5 10 DBBE O=C1CN(C2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CCN1 1889932382 KAVQLJZOHRNBQB-UHFFFAOYSA-N 305.294 -0.754 5 10 DBBE NC(=O)[C@H]1CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2145612645 GGJINRUAFMAUEB-SECBINFHSA-N 303.271 -0.018 5 10 DBBE CN1C[C@@H](O)[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 2146515897 SCAPMQDHYYWDFT-GHMZBOCLSA-N 301.324 -0.452 5 10 DBBE COc1nc(OCCS(=O)(=O)CCN)ncc1[N+](=O)[O-] 2361004428 ITKBTCVKCHPCHM-UHFFFAOYSA-N 306.300 -0.854 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1nnn[nH]1 44930045 BRCMAFODQFVFLF-YFKPBYRVSA-N 314.283 -0.147 5 10 DBBE C[C@@H](CO)N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 122575133 DRZGRQQCQBPKAQ-YFKPBYRVSA-N 310.357 -0.057 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NOCC(N)=O 235868651 QHJFYGZKYKAETD-UHFFFAOYSA-N 307.259 -0.262 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C(=O)OC)C2)n1 331192044 KMSBQVGVBIABLL-VIFPVBQESA-N 312.282 -0.175 5 10 DBBE O=C1NCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc21 438951044 FXTNQQFZTBONFL-UHFFFAOYSA-N 316.277 -0.037 5 10 DBBE O=C1NCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 594793540 ZLMCXYLFDGXOAC-SSDOTTSWSA-N 303.271 -0.099 5 10 DBBE Cn1nnnc1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 611314274 IZNHHTVWWSPZAQ-UHFFFAOYSA-N 312.311 -0.361 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1nc(F)ncc1[N+](=O)[O-] 689012969 KUNHFLDHUYIBOA-VDTYLAMSSA-N 306.275 -0.252 5 10 DBBE C[C@H](CN(C)S(C)(=O)=O)OC(=O)Cn1cnc([N+](=O)[O-])n1 786617662 PDEBAPTUFPPTQX-SSDOTTSWSA-N 321.315 -0.991 5 10 DBBE CC(C)(C(=O)N1CC[C@H](O)[C@@H](CO)C1)n1cc([N+](=O)[O-])cn1 1142379579 UXERVKCDHRWJAH-KOLCDFICSA-N 312.326 -0.272 5 10 DBBE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1180243647 HVNJAGDFLSFANB-ZYUZMQFOSA-N 301.299 -0.783 5 10 DBBE COC[C@@]1(CO)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 1194410688 VSEBTRBCPVKTTB-OLZOCXBDSA-N 314.342 -0.517 5 10 DBBE CNC(=O)CN(CC(=O)NC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 1197514736 RLZHMQDFTZIOJI-LBPRGKRZSA-N 324.337 -0.578 5 10 DBBE CN(CCS(N)(=O)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 1655495053 NRTFXPBVTVWIEE-LLVKDONJSA-N 303.340 -0.152 5 10 DBBE NS(=O)(=O)c1ccc(N[C@@H]2CCONC2)c([N+](=O)[O-])c1 2155315932 UNRFVNBWJUNRJJ-SSDOTTSWSA-N 302.312 -0.052 5 10 DBBE NS(=O)(=O)NCCNc1ccc([N+](=O)[O-])c2nsnc12 2157531782 HBKFHYZKOYPAIU-UHFFFAOYSA-N 318.340 -0.196 5 10 DBBE CON(CC(=O)O)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2158367399 SBWZJINZVIXJIM-UHFFFAOYSA-N 306.252 -0.063 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1N=c1cc[nH]c(C)c1[N+](=O)[O-] 2183318263 PDRMYKAPGXIJMY-VHSXEESVSA-N 301.324 -0.056 5 10 DBBE O=C(O)[C@@H](Nc1cc([N+](=O)[O-])ccn1)C1CS(=O)(=O)C1 2197527589 ZQBBSGMJZORZKY-VIFPVBQESA-N 301.280 -0.101 5 10 DBBE O=[N+]([O-])c1cnc(N2CC[C@](O)(CO)[C@@H](O)C2)c(Cl)c1 2234102908 APLVEADOIQLXJX-ONGXEEELSA-N 303.702 -0.062 5 10 DBBE CN(CC1(O)CNC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2287324943 NVFOFXDVPBGJHC-UHFFFAOYSA-N 301.324 -0.450 5 10 DBBE NC(=O)CCCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 50660341 BBTXIGFWTHLNAD-UHFFFAOYSA-N 302.312 -0.279 5 10 DBBE C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 339409305 JXTNYGZQKBHAGI-UWVGGRQHSA-N 322.321 -0.131 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC(=O)N1C 548761807 HPRQAVNXVNDUNR-QMMMGPOBSA-N 314.323 -0.159 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC1=O 599281586 KIIGRRUMBOLRMZ-ZETCQYMHSA-N 302.312 -0.072 5 10 DBBE CCNC(=O)C(C)(C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599321501 BLZGZNGGJFMRMI-UHFFFAOYSA-N 319.343 -0.479 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(c2nccnn2)CC1 600191603 ZFHNHXWGFWKFFL-UHFFFAOYSA-N 304.270 -0.535 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N3CCNC3=O)C2)n1 1116467833 UGPATKDQDYHLAY-VIFPVBQESA-N 322.325 -0.042 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC(CO)(CO)C1 1303466897 QTYKMQGTXUVPOR-UHFFFAOYSA-N 310.262 -0.250 5 10 DBBE CCn1cc(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)nn1 1469936831 FDRNNOMXWXABBI-UHFFFAOYSA-N 306.282 -0.316 5 10 DBBE CCCN(CCNC(=O)Cn1ccnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581396600 HZRRUVIOPLDIKW-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE Cn1cc([N+](=O)[O-])c(NCC2(O)CCS(=O)(=O)CC2)n1 1651844379 HJQGEKCNXTVHHV-UHFFFAOYSA-N 304.328 -0.320 5 10 DBBE Cn1cnc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 1722063967 WOAYABOWVJIJAN-PSASIEDQSA-N 307.310 -0.536 5 10 DBBE Cc1c(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nnn1C 1759882799 NZUBZSXKUQADND-RKDXNWHRSA-N 322.325 -0.833 5 10 DBBE Cc1nc(Cl)[nH]c(=NC[C@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 2146202291 XFRIMGSMBFJFLJ-ZCFIWIBFSA-N 321.746 -0.128 5 10 DBBE CCN=c1ccc([N+](=O)[O-])c(N[C@@H](C)CS(N)(=O)=O)[nH]1 2152953876 NASQOCUJJUOTGE-ZETCQYMHSA-N 303.344 -0.068 5 10 DBBE NNc1sc(S(=O)(=O)NC2(C(N)=O)CC2)cc1[N+](=O)[O-] 2159810996 LNUHQSPAMDYDMW-UHFFFAOYSA-N 321.340 -0.762 5 10 DBBE CS(=O)(=O)CCN(c1nc(=N)[nH]cc1[N+](=O)[O-])C1CC1 2170134817 LSJPBCPJMMPUIE-UHFFFAOYSA-N 301.328 -0.189 5 10 DBBE NCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)COC1 2176837288 ZFVYTEUSVOLNEH-UHFFFAOYSA-N 301.324 -0.152 5 10 DBBE N=c1nc(N2CC(S(=O)(=O)C(F)F)C2)c([N+](=O)[O-])c[nH]1 2206689785 QDEAMJIELPZORU-UHFFFAOYSA-N 309.254 -0.377 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 136251418 XVKJFSGTONPPLT-ZCFIWIBFSA-N 302.312 -0.281 5 10 DBBE C[C@H](O)[C@H](NS(=O)(=O)c1cncc([N+](=O)[O-])c1)C(=O)O 312254017 FYVOPUOICCWDCH-XNCJUZBTSA-N 305.268 -0.898 5 10 DBBE COCCOCCn1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C 312484040 XBZZJIBEIMOUAY-UHFFFAOYSA-N 308.316 -0.590 5 10 DBBE Cn1ccnc(N2CCN(Cn3nccc3[N+](=O)[O-])CC2)c1=O 744441058 OABGXBWNIMARQE-UHFFFAOYSA-N 319.325 -0.335 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3C[C@]3(CO)C2)n1 1328826652 BENNALJDJYTLTD-OIBJUYFYSA-N 302.312 -0.669 5 10 DBBE CN1CC2(CN(C(=O)c3cnc(O)c([N+](=O)[O-])c3)C2)OC1=O 1451680765 PJKIWOZVNBSDHO-UHFFFAOYSA-N 308.250 -0.028 5 10 DBBE CN(CCNC(=O)Cn1ncnn1)c1ccc([N+](=O)[O-])cn1 1565599778 MLKBDAIZQHVYJU-UHFFFAOYSA-N 306.286 -0.771 5 10 DBBE Cc1nnc(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1C 1616765521 UGPZNADOKKBJGK-UHFFFAOYSA-N 320.309 -0.448 5 10 DBBE COc1nc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 1705280897 JPLWZGHMPAKWHB-VXNVDRBHSA-N 324.293 -0.273 5 10 DBBE COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1)C(N)=O 2152372401 XTVLVMZDUBZIJW-SCSAIBSYSA-N 324.340 -0.983 5 10 DBBE O=[N+]([O-])c1c(F)nc[nH]c1=NC[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12 2174704836 KUNHESIAWLWGDC-POBXSPIYSA-N 302.287 -0.352 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2CC[C@H]3CS(=O)(=O)C[C@H]32)n1 2196038605 UJCKFEYUTUFKGW-GZMMTYOYSA-N 300.340 -0.053 5 10 DBBE O=C(Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1NC[C@H](O)[C@H]1O 2288521898 IKYLQVSQVVZNMU-XLPZGREQSA-N 302.674 -0.725 5 10 DBBE CS(=O)(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)O 2360530745 LNSNDAKCVAZFBE-RXMQYKEDSA-N 306.252 -0.585 5 10 DBBE CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCO)CCO 50669675 VPWZWWCRMMSACV-UHFFFAOYSA-N 319.339 -0.388 5 10 DBBE Cn1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2NN)n1 127393783 PFPRPIDAFRNZSN-UHFFFAOYSA-N 314.287 -0.795 5 10 DBBE CNC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CCO1 374745082 VMIPZTHYQCIEML-NSHDSACASA-N 308.294 -0.115 5 10 DBBE COC(=O)CCCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599216186 NACLXMVQXCHJNP-UHFFFAOYSA-N 320.327 -0.098 5 10 DBBE Cn1nnnc1CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 611314283 KEEFEXNSUBZCNL-UHFFFAOYSA-N 318.340 -0.299 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)Cc1cccc([N+](=O)[O-])c1 719421718 KBDCNXRLSFYWBC-UHFFFAOYSA-N 301.324 -0.116 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCC1(O)CCN(C)CC1 1618680488 YKRWFYSRFFORHR-UHFFFAOYSA-N 311.342 -0.327 5 10 DBBE CCOC(=O)C[C@@H](CO)NC(=O)Cn1c([N+](=O)[O-])cnc1C 1625387938 RMHUAFMECGUMLM-VIFPVBQESA-N 314.298 -0.470 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCCn1cncn1 1640406480 OIDFBCRNQWQRBK-UHFFFAOYSA-N 306.282 -0.446 5 10 DBBE CCn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C2COC2)CC1 1852001416 IPOYINGJCMNZHH-UHFFFAOYSA-N 309.326 -0.032 5 10 DBBE O=[N+]([O-])c1ccccc1CNS(=O)(=O)N1CC[C@H](O)C1 1914144967 XRDLBACINRPIJZ-JTQLQIEISA-N 301.324 -0.004 5 10 DBBE O=C1NC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 1963622080 AUTUJWSTKKZPPL-QMMMGPOBSA-N 301.280 -0.019 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(NC[C@H]2CCS(=O)(=O)N2)[nH]1 2146221694 WASNRGXMMVMICA-SSDOTTSWSA-N 301.328 -0.443 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]1CO 2148957878 IJDVATRMDDGWAB-MRVPVSSYSA-N 302.312 -0.364 5 10 DBBE NC[C@H]1CC[S@](=O)(=NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 2154590704 LLBJMCRSRUSXHD-ZPWHCFADSA-N 301.328 -0.236 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 2165862541 ZSUWTZTVNMSKQH-IONNQARKSA-N 302.312 -0.204 5 10 DBBE COc1ccc(NS(=O)(=O)N2CC(O)C2)c([N+](=O)[O-])c1 2174804787 KUGQHMRNNYZTNM-UHFFFAOYSA-N 303.296 -0.063 5 10 DBBE N=c1[nH]c(=NCCCS(=O)(=O)C(F)F)[nH]cc1[N+](=O)[O-] 2237636660 HBASHLHBRJAEEG-UHFFFAOYSA-N 311.270 -0.341 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNC2CCS(=O)CC2)c1 158159325 SIJITSCNADQSBS-VHDWTEISSA-N 302.356 -0.347 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N[C@@H]2COC[C@@H]2O)c1 323508704 PYFCSHYVZHWWLN-BDAKNGLRSA-N 306.271 -0.228 5 10 DBBE CNS(=O)(=O)NCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 339233640 OEFKJPATPBWWTH-UHFFFAOYSA-N 302.312 -0.104 5 10 DBBE CN(CC(C)(CO)CO)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594767890 WOFRMZDOMXNGPL-UHFFFAOYSA-N 319.339 -0.399 5 10 DBBE CC(=O)OC[C@H](CO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1138190938 PAJPNBKKWCGQBS-JQWIXIFHSA-N 312.278 -0.332 5 10 DBBE COC(=O)C1(O)CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 1175341972 FHWMYEZOYBCBOZ-UHFFFAOYSA-N 312.282 -0.764 5 10 DBBE CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)CC(N)=O 1268785068 PPJOWUAJCZUTFK-UHFFFAOYSA-N 312.330 -0.858 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1ccnn1 1351466019 HJKLOYDHWWQESE-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE CON(C)C1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 1472887495 AXGOUZAUMCZCAN-UHFFFAOYSA-N 316.339 -0.076 5 10 DBBE CCN(CCNC(=O)c1cnc(C)n1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1529037989 XXADPQOUXQZBCW-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE CS(=O)(=O)NC[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 1655527180 ATSNHKSQHSIZSU-SNVBAGLBSA-N 317.371 -0.338 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])C(=O)N1CCN(CCO)CC1 1866349210 GALNYHSCQZAEBZ-UHFFFAOYSA-N 321.333 -0.157 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H](O)CO 1963019161 ZMPDUXRGYYDZCE-SECBINFHSA-N 304.324 -0.075 5 10 DBBE CS(=O)(=O)c1nn(-c2ccnc([N+](=O)[O-])c2)cc1C(N)=O 2080313228 XTEIGYUMDZBKLQ-UHFFFAOYSA-N 311.279 -0.322 5 10 DBBE Cc1c([N+](=O)[O-])c(=NCC2CN(S(C)(=O)=O)C2)[nH]n1C 2233065991 LQCWZFVGUNMTRG-UHFFFAOYSA-N 303.344 -0.638 5 10 DBBE CN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 36266855 AXRMAMUFQHVVMH-NXEZZACHSA-N 301.324 -0.452 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NN1CCOCC1 150113625 VAANJVOCVYSDEU-UHFFFAOYSA-N 302.312 -0.298 5 10 DBBE Nc1cccc(S(=O)(=O)N2CCOC[C@H]2CO)c1[N+](=O)[O-] 168911507 RPMDSHSYVBMYPC-MRVPVSSYSA-N 317.323 -0.441 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1CN1CCCNS1(=O)=O 308401938 UYCKOIRHEAOHQN-UHFFFAOYSA-N 301.328 -0.080 5 10 DBBE Cn1c(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)ccc1[N+](=O)[O-] 358070527 VBTNZVCEOPUJNJ-MRVPVSSYSA-N 316.339 -0.174 5 10 DBBE Cc1cn(C)nc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1285924252 WYWRNHNDAFZAJI-NXEZZACHSA-N 321.337 -0.228 5 10 DBBE CN(C)C(=O)CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1320211184 BNNQMYTYJAEYRR-UHFFFAOYSA-N 324.341 -0.097 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[C@]1(O)CCOC1 1628450516 HEGNONCQVQZPMO-ZDUSSCGKSA-N 311.294 -0.586 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 1636381471 WBZVDOFRCCJCDZ-UHFFFAOYSA-N 312.282 -0.199 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[C@@H](O)C(F)F 1642442629 XYGPZURYRXVLKM-SECBINFHSA-N 305.237 -0.111 5 10 DBBE COC[C@H]1COCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 1644624543 LVYXRWRNKLUUHG-RYUDHWBXSA-N 300.315 -0.501 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNCc1nccs1 1672617368 YUQCRZKUGAYDQR-NXEZZACHSA-N 314.367 -0.281 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)Cc1cccc([N+](=O)[O-])c1 2152955686 XGRSUWOWYQDFLM-QMMMGPOBSA-N 301.324 -0.070 5 10 DBBE CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 2177282555 HKWNBBNEBSTGGA-CAHLUQPWSA-N 323.352 -0.069 5 10 DBBE C[C@@H]1[C@@H](O)CN1S(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 2182522734 HSYFHIQMQOJVTQ-MUWHJKNJSA-N 302.312 -0.366 5 10 DBBE O=C(O)[C@@H](CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2188008165 MHEZRLLZJKFJFV-SSDOTTSWSA-N 304.280 -0.434 5 10 DBBE CS[C@H]1COC[C@H]1N=c1[nH]c(NN)nc(C)c1[N+](=O)[O-] 2207539586 UHKLROJQKUACAD-RQJHMYQMSA-N 300.344 -0.057 5 10 DBBE COC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])cs1 2233870363 IAIPFFBWNRVIPQ-WEDXCCLWSA-N 302.308 -0.151 5 10 DBBE C[C@@H](CS(N)(=O)=O)N=c1[nH]c(C2CC2)ncc1[N+](=O)[O-] 2286613070 UFHUBUZRRUXKPH-LURJTMIESA-N 301.328 -0.227 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=NC[C@H](C)S(N)(=O)=O)[nH]1 2286731014 CZWXNNUCJSYELD-LURJTMIESA-N 305.316 -0.958 5 10 DBBE CCc1nn(C)c(OCCS(=O)(=O)CCN)c1[N+](=O)[O-] 2361001773 MZTAOPYPWVCCID-UHFFFAOYSA-N 306.344 -0.357 5 10 DBBE CC(C)(NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-])C(N)=O 45110450 YRNAVOJYVOFFQC-UHFFFAOYSA-N 317.327 -0.577 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2ccc(NN)cc2[N+](=O)[O-])C1 49086979 GDXVYWQEKXMRJF-VIFPVBQESA-N 315.355 -0.137 5 10 DBBE O=C(O)[C@@H](O)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 90262986 ZZOTYBHBLLSQJD-QMMMGPOBSA-N 308.243 -0.542 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC(=O)NC1 111024909 BGNJBCBSNSIBQW-SSDOTTSWSA-N 314.323 -0.266 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 136252786 PQJLBSJTTYXDPW-ZCFIWIBFSA-N 302.312 -0.281 5 10 DBBE CNc1sc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1[N+](=O)[O-] 157565779 QGGJEKXXCGETOX-BYPYZUCNSA-N 308.341 -0.150 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 157575695 MIPCUNIFLZCOOQ-UHFFFAOYSA-N 308.341 -0.347 5 10 DBBE CNc1sc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] 234503781 VBVKRISCGOZSRQ-BQBZGAKWSA-N 323.352 -0.576 5 10 DBBE O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 594393874 SFNVDDFOPOWOSI-VHSXEESVSA-N 308.294 -0.414 5 10 DBBE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1CO 599288645 QSZRRYLQBJWLRZ-IONNQARKSA-N 304.328 -0.280 5 10 DBBE O=[N+]([O-])c1cnn(CCN2CCN(c3nccnn3)CC2)c1 599509910 RKZSVEPSKOUOAU-UHFFFAOYSA-N 304.314 -0.202 5 10 DBBE NC(=O)CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 1116281093 MUAMAZGFWJLACZ-VIFPVBQESA-N 307.310 -0.331 5 10 DBBE COc1ncnc(NC2CN(S(C)(=O)=O)C2)c1[N+](=O)[O-] 1157441118 ZPXUSPUFKJVUDE-UHFFFAOYSA-N 303.300 -0.551 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(O)(CO)CC1 1452997420 NLTFLRLCYIWZAP-UHFFFAOYSA-N 312.326 -0.164 5 10 DBBE CC(C)(CCC(=O)NCCCN1CCNC(=O)C1)[N+](=O)[O-] 1611059499 RJRZOUVBIFYQMQ-UHFFFAOYSA-N 300.359 -0.240 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CC(N)=O)C(=O)C1 1626200613 NFSYLNXEYCBJMI-UHFFFAOYSA-N 321.293 -0.932 5 10 DBBE O=C(NC[C@@]12COCCN1C(=O)COC2)c1ccc([N+](=O)[O-])[nH]1 1632291822 DZUOXKKBRRTZKK-ZDUSSCGKSA-N 324.293 -0.720 5 10 DBBE COC(=O)[C@@H](N)CCn1nc([N+](=O)[O-])nc1Br 1921720125 NULAGUCEQWBLQY-BYPYZUCNSA-N 308.092 -0.161 5 10 DBBE NC(=O)C1(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 2159806797 BNYTZIVZPIMEPL-UHFFFAOYSA-N 301.280 -0.403 5 10 DBBE O=C(CN=c1[nH]cnc(Cl)c1[N+](=O)[O-])N1CCNCC1 2162361228 HAKBAPAEAGXDKA-UHFFFAOYSA-N 300.706 -0.696 5 10 DBBE CCS(=O)(=O)NC1CN(c2cc([N+](=O)[O-])cc(=N)[nH]2)C1 2165563164 MDLNUDQGLJCEPC-UHFFFAOYSA-N 301.328 -0.470 5 10 DBBE CCc1nn(C)c(N[C@H]2CS(=O)(=O)C[C@H]2O)c1[N+](=O)[O-] 2177808178 HAFUIYJBIQQHCM-JGVFFNPUSA-N 304.328 -0.540 5 10 DBBE CO[C@H](CO)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2295306126 RLLGHMUQGKRVAC-ZETCQYMHSA-N 306.296 -0.414 5 10 DBBE CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])o2)C(C(N)=O)=C(N)O1 58949544 DLLQHLFFNQINTQ-MRVPVSSYSA-N 308.250 -0.284 5 10 DBBE Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NN1CCOCC1 150117337 GVDJJHAFOZYMEJ-UHFFFAOYSA-N 320.302 -0.158 5 10 DBBE NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 221088158 IWCATQQQOVDTPD-UHFFFAOYSA-N 314.323 -0.020 5 10 DBBE CC(C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@@H]12)[C@H](C)O 248144680 DNAWGBOKUFFVMB-GIRXQMHSSA-N 315.366 -0.315 5 10 DBBE NC(=O)[C@]1(O)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 276485641 MKCACPZRYGQACE-ZDUSSCGKSA-N 309.278 -0.578 5 10 DBBE CNC(=O)[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 377140014 LQDBXBCFTFYVTN-LLVKDONJSA-N 309.278 -0.113 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1cc([N+](=O)[O-])cc(N)n1 696995598 MJHLVRFZHPVUCL-SFYZADRCSA-N 302.312 -0.204 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1cc([N+](=O)[O-])cc(N)n1 696995602 MJHLVRFZHPVUCL-YUMQZZPRSA-N 302.312 -0.204 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc([N+](=O)[O-])c(N)n1 697270017 MQTYPZFNEQPZIJ-SVRRBLITSA-N 302.312 -0.204 5 10 DBBE O=C(c1ccnc(Cl)c1[N+](=O)[O-])N1CC(O)(C(=O)O)C1 706471884 SJUDHYVJDHVKIV-UHFFFAOYSA-N 301.642 -0.085 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COCC[C@H]2O)cn1 710961444 MWZTZYUOQCEGQB-DTWKUNHWSA-N 303.296 -0.582 5 10 DBBE CN(CCO)CCN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1149206005 OXXQEMLQZVNTKK-UHFFFAOYSA-N 312.326 -0.861 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1noc2c1COCC2 1266273681 XVEJDHAVKBDLLA-BXKDBHETSA-N 324.337 -0.040 5 10 DBBE CCN(C)CCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1284092278 VCLSSZAZDNKTSX-WRWGMCAJSA-N 312.370 -0.243 5 10 DBBE CCNC(=O)N1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 1319323425 IOERIAVKMRAJEN-QMMMGPOBSA-N 311.302 -0.894 5 10 DBBE CS(=O)(=O)C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1526626188 NBAOTMAJXOGJQQ-MRVPVSSYSA-N 317.327 -0.921 5 10 DBBE Nc1ccc(C(=O)N2CC3(C[C@@H](O)CNC3=O)C2)cc1[N+](=O)[O-] 1595697633 ATNNZDFELHAYTJ-SECBINFHSA-N 320.305 -0.500 5 10 DBBE COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1C(=O)OC 1627731889 NPHCQHFCYMZJFF-RYPBNFRJSA-N 300.267 -0.928 5 10 DBBE COCC1(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 1704517639 QJUCWCNSVFMHJR-GHMZBOCLSA-N 311.338 -0.205 5 10 DBBE CCN(CCNC(=O)c1cnns1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721134928 GFVNPPKETMYTEY-HTQZYQBOSA-N 313.339 -0.218 5 10 DBBE Cc1ncc(CC(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 1721399920 NSPPLBAVJOGPMP-VXGBXAGGSA-N 322.321 -0.235 5 10 DBBE Cc1nc(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 1757985580 FDCHHNFALYJGCV-NXEZZACHSA-N 312.351 -0.108 5 10 DBBE Cc1nnc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)s1 2100576955 MGXIESIJXAQOCW-UHFFFAOYSA-N 304.313 -0.353 5 10 DBBE COC1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CNC1 2157883060 LEZGYGYLDQCQOL-UHFFFAOYSA-N 301.324 -0.139 5 10 DBBE O=[N+]([O-])c1cnc(F)[nH]c1=NC[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12 2174708523 UJCPCZNZXPMHDR-POBXSPIYSA-N 302.287 -0.352 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@@H](O)CO)ccc1F 2182245265 SXBDQFNOWLBCBK-SSDOTTSWSA-N 308.287 -0.245 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=NCC[S@](=O)CCOC)[nH]1 2207030148 SWXPPKJWQUSLHF-FQEVSTJZSA-N 303.344 -0.923 5 10 DBBE O=[N+]([O-])c1ccc(CNCC2(O)CS(=O)(=O)C2)cc1F 2283081445 IPKUZCCJGWYLAS-UHFFFAOYSA-N 304.299 -0.017 5 10 DBBE CO[C@H]1CNC[C@@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 36268191 FPQVGLQCVXGHQH-ONGXEEELSA-N 316.339 -0.359 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50674114 IDVCILGTQLMGEP-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE Nc1cccc(S(=O)(=O)N2CCO[C@@H](CO)C2)c1[N+](=O)[O-] 127047118 YKOOZNCJJSCXMH-MRVPVSSYSA-N 317.323 -0.441 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@H](Cn2cccn2)C1 171883761 DZMOXNZORULXSL-LBPRGKRZSA-N 320.309 -0.085 5 10 DBBE O=C(O)CN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])s1 547902682 VWNGKIRTQOGFKU-UHFFFAOYSA-N 310.309 -0.276 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CCNCC2)n1 599095330 FAHOSVJMAJYYJT-UHFFFAOYSA-N 303.344 -0.394 5 10 DBBE Cn1nnnc1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 611513369 DKMQNIIOGZGZAL-UHFFFAOYSA-N 320.265 -0.181 5 10 DBBE Cn1cncc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941007053 BYIKPDDOLOBSAC-GHMZBOCLSA-N 321.337 -0.240 5 10 DBBE CN(C)CCN1C[C@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)CC1=O 1155038627 ZVSJBQATRRAQPY-MRVPVSSYSA-N 310.314 -0.334 5 10 DBBE COC(=O)CNC(=O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(C)n1 1157426838 LDNBPABXANZRAZ-VIFPVBQESA-N 323.309 -0.049 5 10 DBBE CNc1nccc(C(=O)NN2C(=O)[C@@H](C)N(C)C2=O)c1[N+](=O)[O-] 1167405519 TYBUASOJQLVUSZ-ZCFIWIBFSA-N 322.281 -0.041 5 10 DBBE Cc1cc(=O)n(Cc2nnc3c(=O)[nH]ccn23)cc1[N+](=O)[O-] 1188960370 FAKRLCWIUUQCKF-UHFFFAOYSA-N 302.250 -0.156 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1 1213409894 JKXHFRHDCDUSRW-MNOVXSKESA-N 302.308 -0.289 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1 1331475279 YFUZDXUTUGIRGV-XWLWVQCSSA-N 306.326 -0.357 5 10 DBBE COCC(C)(C)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1351532120 NDTWUMIEGJNSGW-UHFFFAOYSA-N 320.327 -0.194 5 10 DBBE C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCS1(=O)=O 1632210440 WYZCLDQZEKLWSS-ZETCQYMHSA-N 302.312 -0.413 5 10 DBBE COc1ncnc(NC[C@@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 2146224064 LHYINSYLTNPXCZ-LURJTMIESA-N 303.300 -0.503 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)Cc1cccc([N+](=O)[O-])c1 2152955685 XGRSUWOWYQDFLM-MRVPVSSYSA-N 301.324 -0.070 5 10 DBBE Nc1ccc(=NCCNS(=O)(=O)C2CC2)[nH]c1[N+](=O)[O-] 2158551205 IDPXLEAWRQYKJV-UHFFFAOYSA-N 301.328 -0.512 5 10 DBBE CN=c1nc(N=[S@@](C)(=O)C2CNC2)c([N+](=O)[O-])c(C)[nH]1 2173934634 GGMSLYOMHWZLBZ-FQEVSTJZSA-N 300.344 -0.142 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@@H]1OCC[C@@H]1F 2179087087 GUGVCBBHLMTLRL-BQBZGAKWSA-N 308.291 -0.126 5 10 DBBE Cc1ccc(S(=O)(=O)NCC(CO)CO)cc1[N+](=O)[O-] 2179742924 KUUWIMRQUYDAQJ-UHFFFAOYSA-N 304.324 -0.218 5 10 DBBE O=[N+]([O-])c1c[nH]ccc1=NS(=O)(=O)N1CCC[C@H](O)C1 2202440419 XPJPCLSZMNOOMD-QMMMGPOBSA-N 302.312 -0.475 5 10 DBBE NNc1ccc(S(=O)(=O)Nc2nnns2)cc1[N+](=O)[O-] 127645335 KGYOWFSVTNZSIM-UHFFFAOYSA-N 317.312 -0.072 5 10 DBBE O=C(O)c1cccc([N+](=O)[O-])c1O[C@@H]1CS(=O)(=O)C[C@@H]1O 137215387 OCLLVRBYNLNBIT-DTWKUNHWSA-N 317.275 -0.170 5 10 DBBE Cn1ccc([C@H]2NC(=O)N(CCn3cc([N+](=O)[O-])cn3)C2=O)n1 431860204 POOGXQVKQKQNEY-SNVBAGLBSA-N 319.281 -0.182 5 10 DBBE CCc1nn(C)c(NC[C@]2(O)CCS(=O)(=O)C2)c1[N+](=O)[O-] 1307119358 BSYUBGWXDSYRIV-LLVKDONJSA-N 318.355 -0.148 5 10 DBBE COc1ccc([N+](=O)[O-])cc1CNC(=O)CN1CCNC(=O)C1 1546113401 XNMVASDKKQGKOH-UHFFFAOYSA-N 322.321 -0.349 5 10 DBBE CN=[S@](C)(=O)CCNC(=O)Cn1c([N+](=O)[O-])cnc1C 1630494778 IJINMALHONYKCQ-HXUWFJFHSA-N 303.344 -0.056 5 10 DBBE C[S@@](=N)(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 1633980374 DKCQVNGYJPUFFZ-FQEVSTJZSA-N 302.316 -0.333 5 10 DBBE Nc1nccc(C(=O)N[C@@H](CO)CN2CCCC2)c1[N+](=O)[O-] 1636961896 ABXBXPVPLSUGMS-SECBINFHSA-N 309.326 -0.242 5 10 DBBE Cn1cc(CCNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1670781730 OQXDZBJHJDXUBP-VXGBXAGGSA-N 307.354 -0.134 5 10 DBBE COc1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 1722068855 HWZYCBRVXHZPGV-HTQZYQBOSA-N 324.293 -0.273 5 10 DBBE O=C(O)[C@H](O)[C@@H](O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1865945960 JHQKBCWCWMVHGP-HTQZYQBOSA-N 315.194 -0.752 5 10 DBBE NS(=O)(=O)C1CN(c2cnc([N+](=O)[O-])cc2C(=O)O)C1 1915000530 CBPONSGKKXTGNU-UHFFFAOYSA-N 302.268 -0.835 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(CO)CNC1 1918434547 ZFIWRWYXQNTVES-UHFFFAOYSA-N 301.324 -0.484 5 10 DBBE COc1ncnc(OC[C@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 2146206754 YGBMZMUPOSVQCZ-ZCFIWIBFSA-N 304.284 -0.536 5 10 DBBE CN=c1[nH]c(N(C)[C@@H](C)CS(C)(=O)=O)ncc1[N+](=O)[O-] 2157679492 AMLUXIFAGTWZMT-ZETCQYMHSA-N 303.344 -0.282 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(c2ncnc(F)c2[N+](=O)[O-])C1 2170659370 DLWINZDVGPXGJW-LURJTMIESA-N 305.291 -0.348 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1nnn[nH]1 126523122 XBZZDIUZMJGVDZ-UHFFFAOYSA-N 302.247 -0.275 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 127002325 YAMHALZFZICLHM-SSDOTTSWSA-N 314.323 -0.314 5 10 DBBE Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(=O)n(C)c1=O 532392187 KFPVLUQUJSCUGR-UHFFFAOYSA-N 305.250 -0.361 5 10 DBBE NC1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCOCC1 599101972 LQUFWVNLIHLVJX-UHFFFAOYSA-N 316.339 -0.224 5 10 DBBE Nc1ccnc(N2CCC(S(N)(=O)=O)CC2)c1[N+](=O)[O-] 707415960 NVEWQUKOGAPLQS-UHFFFAOYSA-N 301.328 -0.171 5 10 DBBE Cn1cc(C(=O)COC(=O)CCn2cc([N+](=O)[O-])cn2)nn1 845105886 FEMJVBOGWPRCHR-UHFFFAOYSA-N 308.254 -0.264 5 10 DBBE COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1152652563 CDDHMWDXNOYMBL-IWSPIJDZSA-N 302.283 -0.538 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cnc[nH]1 1296301787 ZBNLGNWEXKWACA-GHMZBOCLSA-N 309.326 -0.418 5 10 DBBE O=C(Cn1cccn1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1356798518 JRIQJYAKUYAOQE-GHMZBOCLSA-N 307.310 -0.877 5 10 DBBE COC(=O)[C@@H](CF)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1468570796 NTLCGCVMNCIXDV-SSDOTTSWSA-N 301.230 -0.616 5 10 DBBE O=C(Cc1cc(C2CC2)no1)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1491283234 NYUVMIYPWJFFAH-ZYHUDNBSSA-N 322.321 -0.008 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 1518056642 VMVDRUIXEUIGNQ-ONGXEEELSA-N 311.342 -0.065 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)S(C)(=O)=O 1526280256 BNUFGHNPQRTOKE-ZETCQYMHSA-N 304.328 -0.351 5 10 DBBE O=C(NC[C@@H](O)CO)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 1653203250 OZJXTXGVGMSSCI-SNVBAGLBSA-N 306.278 -0.137 5 10 DBBE Cc1n[nH]cc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1747783308 PKSIFGXJOFQZSK-PSASIEDQSA-N 307.310 -0.238 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](O)CO 1963058204 AQDSZUJLHPIHOD-SNVBAGLBSA-N 304.324 -0.075 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1CCOC[C@H]1[C@@H](O)CO 2146325157 CUUYZCYKWJHPLD-IUCAKERBSA-N 302.308 -0.150 5 10 DBBE CN=c1nc(N=[S@@]2(=O)CC[C@@H](CN)C2)c([N+](=O)[O-])c[nH]1 2173927492 IQVUGODHYLZBLA-SVWIBVJCSA-N 300.344 -0.074 5 10 DBBE COc1ccc([N+](=O)[O-])c(N[C@@H]2CS(=O)(=O)C[C@@H]2O)n1 2177807347 APQRLHQQKWZZTF-SVRRBLITSA-N 303.296 -0.432 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1ncnc(F)c1[N+](=O)[O-] 2192658868 QZCGZVCXMWBYQR-PHDIDXHHSA-N 305.291 -0.679 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CNCC2(O)CCOCC2)c1 162629913 JNCTXAMKYRQWOW-NSHDSACASA-N 300.315 -0.717 5 10 DBBE O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1=COCCO1 271728492 YYJKAKCCARCHOW-DGCLKSJQSA-N 324.289 -0.007 5 10 DBBE Nc1sc(S(=O)(=O)NC2COCCOC2)cc1[N+](=O)[O-] 312917366 BZHOLJFUSOCLFZ-UHFFFAOYSA-N 323.352 -0.068 5 10 DBBE O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)NCC1CC1 593572174 DJHVMKSGLLFZFJ-UHFFFAOYSA-N 314.323 -0.206 5 10 DBBE CN(C)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 717333163 QDRAWKOSCUCIPU-MRVPVSSYSA-N 304.328 -0.809 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCN(C)CC1 929582080 QPHULGKMQRIUBF-UHFFFAOYSA-N 310.358 -0.537 5 10 DBBE CN1CCN(CC2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 1141387759 UDOWBSINLXHDQH-UHFFFAOYSA-N 308.342 -0.363 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)[C@@H]1[C@H]2COC[C@H]21 1284611966 NUNUWOJTJFHNRH-ZIQFBCGOSA-N 311.338 -0.491 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])N1CC2(C[C@@H](O)CNC2=O)C1 1634492107 KBNZCGRNZNYSCX-LLVKDONJSA-N 319.317 -0.153 5 10 DBBE COC(=O)[C@@H](O)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1649034871 RYOVZGKLYQJDFT-WDEREUQCSA-N 312.278 -0.332 5 10 DBBE Cc1ncc(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 1704203469 TTXQZDALLIBJMI-GHMZBOCLSA-N 310.310 -0.235 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cnc[nH]1 1721079131 IGFIPKFCIPSERU-GHMZBOCLSA-N 309.326 -0.418 5 10 DBBE Nc1nc[nH]c(=NCc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-] 1859505679 DQGZIBOPZMQANW-UHFFFAOYSA-N 324.322 -0.352 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2COC[C@H]2O)c1 2154109513 SEKRQEFVBHBCBZ-LDYMZIIASA-N 302.308 -0.120 5 10 DBBE C[C@H](N=c1nc([N+](=O)[O-])[nH]n1C)[C@H]1CCCS(=O)(=O)C1 2159179913 DSECZGUFWMCMDE-YUMQZZPRSA-N 303.344 -0.230 5 10 DBBE Cc1nc([N+](=O)[O-])c(N[C@@H]2CNC[C@@H]2S(C)(=O)=O)n1C 2192681294 UGJHCZSUOUMIIB-SFYZADRCSA-N 303.344 -0.566 5 10 DBBE NNc1cc(N2CC(CS(N)(=O)=O)C2)cc([N+](=O)[O-])c1 2194435781 DZIMCWLTQZFNJR-UHFFFAOYSA-N 301.328 -0.395 5 10 DBBE C[C@H]1CNCCN1S(=O)(=O)Nc1ncccc1[N+](=O)[O-] 2202434749 VQMWZJJJSXANSX-QMMMGPOBSA-N 301.328 -0.060 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC([C@@H](O)CO)C1 2362003377 WFONFDSSEFULGJ-JTQLQIEISA-N 302.308 -0.432 5 10 DBBE O=C(O)[C@H]1CNCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 95073796 DHBPJFJYXCDINI-MRVPVSSYSA-N 316.295 -0.963 5 10 DBBE CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 122568912 TYRQUKYUGYDDGD-SCZZXKLOSA-N 312.330 -0.010 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNCCSCCCO)c1 230788938 HGTMVGPGGRYNTB-LLVKDONJSA-N 304.372 -0.143 5 10 DBBE NC(=O)[C@]1(O)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 320900262 QFTFWBMFVWYPDY-ZDUSSCGKSA-N 308.294 -0.545 5 10 DBBE N[C@H](CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O 323298606 NQTUQODPBBSBEH-SSDOTTSWSA-N 307.259 -0.576 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2CCNC2=O)c([N+](=O)[O-])c1 693955089 RAGGCNBKRYFPJK-ZETCQYMHSA-N 300.296 -0.656 5 10 DBBE NCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)COC1 705642255 NLNUZOWSTWKJOP-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCC(=O)N2CCOCC2)n1 1116432465 FLVCHWPTAGJPSP-UHFFFAOYSA-N 311.298 -0.693 5 10 DBBE O=C(NC(CO)CO)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 1151318655 DFGCLIBGKHOIMM-UHFFFAOYSA-N 320.305 -0.077 5 10 DBBE CCOC[C@H](C(=O)OC)N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] 1295064077 HSWDMCVOKQXQHU-MRVPVSSYSA-N 300.271 -0.032 5 10 DBBE Cc1nc(NC[C@@]2(O)CCS(=O)(=O)C2)ncc1[N+](=O)[O-] 1307120409 QIMGOIXETSATLU-JTQLQIEISA-N 302.312 -0.345 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)COC(F)F)n1 1351530323 AIOZAQXADUFODQ-UHFFFAOYSA-N 314.226 -0.628 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCS(=O)(=O)C1 1625574573 KPIFDMPCFOHSST-QMMMGPOBSA-N 316.339 -0.117 5 10 DBBE CS(=O)(=O)CCN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1691440274 FEDJXCUJPVUNRT-LMLFDSFASA-N 319.383 -0.819 5 10 DBBE N=C(N)NCCC[C@H](N)C(=O)Nc1c(O)cccc1[N+](=O)[O-] 1866115899 SOEVPNIQQSBTSM-ZETCQYMHSA-N 310.314 -0.171 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N[C@]1(C(=O)O)CCS(=O)(=O)C1 2172194439 ZKDGWVHJAIRWAB-SECBINFHSA-N 304.284 -0.618 5 10 DBBE CC(C)(C)S(=O)(=O)CCN=c1[nH]c(=N)[nH]cc1[N+](=O)[O-] 2191389926 OYZFIZAVFZFHNR-UHFFFAOYSA-N 303.344 -0.156 5 10 DBBE N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cn1)C1CS(=O)(=O)C1 2202456772 MDOVSOCVXKAVPA-VIFPVBQESA-N 300.296 -0.700 5 10 DBBE O=[N+]([O-])c1c(N2C[C@H](O)[C@H](O)[C@H](CO)C2)ccnc1Cl 2289398028 HXCGVXFJDPTEDD-KADJCCMJSA-N 303.702 -0.207 5 10 DBBE NS(=O)(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 2295623558 YTZOOKBVDXIXNU-UHFFFAOYSA-N 300.296 -0.459 5 10 DBBE O=C(O)CCNC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21 31845645 VWKGYGYBQFXYCT-UHFFFAOYSA-N 323.261 -0.089 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 159211832 VLNFCCQJTGJEAP-SFHVURJKSA-N 307.353 -0.166 5 10 DBBE CNS(=O)(=O)NCC(=O)NCCc1cccc([N+](=O)[O-])c1 339508853 IHAHJDPLOMNENP-UHFFFAOYSA-N 316.339 -0.693 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=NCCN1CCCS1(=O)=O 405957121 VZCPLPCTIPBGMO-UHFFFAOYSA-N 321.746 -0.093 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])cn(CCC(=O)N(C)OC)c1=O 806629217 UCWPHKNNHDNCQZ-UHFFFAOYSA-N 313.266 -0.047 5 10 DBBE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 862643952 ZJHOIYDOCLZSCE-JTNHKYCSSA-N 313.354 -0.616 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](O)[C@@H]2CCCO2)c1 1118960481 XPTZNGUXARRXEO-WOPDTQHZSA-N 300.315 -0.718 5 10 DBBE CC(=O)N1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1135672570 BGKKNLKVVKOIAZ-UHFFFAOYSA-N 322.321 -0.116 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](C2OCCO2)C1 1178060708 ZZEBMPYKAQEMCS-JTQLQIEISA-N 323.305 -0.022 5 10 DBBE O=C(NC[C@]12COCCN1C(=O)OC2)c1c[nH]nc1[N+](=O)[O-] 1454942524 IUVRWJGTXICFDT-LLVKDONJSA-N 311.254 -0.731 5 10 DBBE O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(C[C@@H](O)CNC2=O)C1 1558319233 XURFLXJDFGMDFW-SECBINFHSA-N 321.289 -0.377 5 10 DBBE O=C(CCn1ccnc1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1575823255 XADNVNDNVFTIOV-GHMZBOCLSA-N 309.326 -0.439 5 10 DBBE CN1CCN(CCNC(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 1623618403 MEFIFUAINMLNQA-UHFFFAOYSA-N 309.326 -0.327 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](COC)C(=O)OC)n1 1632684082 YSJWBZYZQWWQHA-ZETCQYMHSA-N 300.271 -0.271 5 10 DBBE O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(O)(COCCO)CC1 1635146786 DTYQEKGRHMNNHY-UHFFFAOYSA-N 313.310 -0.101 5 10 DBBE CN1CCN(C(=O)CN(C)C(=O)c2cncc([N+](=O)[O-])c2)CC1 1853304400 BBTJRADMLASQIY-UHFFFAOYSA-N 321.337 -0.164 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@H]2COC[C@@H]2N)cc1[N+](=O)[O-] 2149986870 HWXHXVNWJOWKCQ-UWVGGRQHSA-N 301.324 -0.092 5 10 DBBE CCN1CC[C@H](n2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)C1=O 2156826366 VQTSPMVQLRRUMH-LURJTMIESA-N 303.300 -0.768 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 2165862542 ZSUWTZTVNMSKQH-VXNVDRBHSA-N 302.312 -0.204 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCC(CO)CO)cc1 2184373566 ASFYJNQYEYKZAJ-UHFFFAOYSA-N 304.324 -0.136 5 10 DBBE O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2289404933 BVCAXWXXYNISET-JUWDTYFHSA-N 303.702 -0.207 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)O 21059976 XLDGOWJWFXHCKC-MLUIRONXSA-N 322.270 -0.154 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)C1 50649838 WWWWVDJQFZCTLV-UHFFFAOYSA-N 300.296 -0.703 5 10 DBBE CS(=O)(=O)CCNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126854980 FQTCZEAZHLUJOR-UHFFFAOYSA-N 323.352 -0.500 5 10 DBBE Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CN2CCN1CC2 181239691 RFMSAQLVMKXQQC-JTQLQIEISA-N 305.338 -0.093 5 10 DBBE COC[C@@H]1C[C@@H](O)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 593060937 KHNUKUTVJVVZMG-WCQGTBRESA-N 300.315 -0.766 5 10 DBBE CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593532297 MPUIWNNZABDLEN-VIFPVBQESA-N 314.323 -0.111 5 10 DBBE CNC(=O)C[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594780434 KEIDYVGUDAFPOZ-ZETCQYMHSA-N 302.312 -0.207 5 10 DBBE CS(=O)(=O)C[C@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 596467146 MQTHFIHPHQIFPB-SSDOTTSWSA-N 301.328 -0.020 5 10 DBBE C[C@H]1CNCC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599104999 GKUOCHWOEPAZNQ-JGVFFNPUSA-N 303.344 -0.395 5 10 DBBE CC[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC 599339083 FSFSUCSIIZWMHH-SSDOTTSWSA-N 320.327 -0.194 5 10 DBBE O=C(NCCN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1)C1CC1 1266900832 JXFPLPORBBJSIZ-LBELIVKGSA-N 322.365 -0.776 5 10 DBBE CC(=O)NC(C)(C)C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1355592064 ODXDGPIAHHBLRJ-NXEZZACHSA-N 314.342 -0.859 5 10 DBBE O=C1CN=C(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)N1 1648479696 XJTLCUFNSLHBRO-UHFFFAOYSA-N 320.261 -0.028 5 10 DBBE Nc1ccc([N+](=O)[O-])c(C(=O)N2CC(S(N)(=O)=O)C2)c1 1914991648 OUVODLBASIYQGY-UHFFFAOYSA-N 300.296 -0.710 5 10 DBBE C[C@](C(=O)O)(C1CNC1)n1nc([N+](=O)[O-])nc1Br 1919774141 GKKXREYLDNKALW-MRVPVSSYSA-N 320.103 -0.032 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)c1cc(O)ccc1[N+](=O)[O-] 2152939718 LFIISLHPDFYOSS-ZCFIWIBFSA-N 303.296 -0.293 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@H]1CCC[C@H](S(C)(=O)=O)C1 2159177415 WVZDOOAONPQWGH-YUMQZZPRSA-N 303.344 -0.087 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CO)[C@H](C)O 2174115767 IFHCWXPOVFXILL-DTWKUNHWSA-N 304.324 -0.077 5 10 DBBE O=C(COc1ccccc1[N+](=O)[O-])Nc1c[nH]c(=O)[nH]c1=O 16856822 YWTCJDVNTSTFSB-UHFFFAOYSA-N 306.234 -0.011 5 10 DBBE NS(=O)(=O)c1ccc(SC[C@H](O)CO)c([N+](=O)[O-])c1 93958233 FRIWPPBDRMDVCV-ZCFIWIBFSA-N 308.337 -0.313 5 10 DBBE COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCN)C(C)=O 170403796 ZDKNNHNDUYOKBI-UHFFFAOYSA-N 324.293 -0.124 5 10 DBBE CN1CC[C@](O)(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594768393 LQNBVDZMNYFSEN-NSHDSACASA-N 316.339 -0.665 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2c(c1)B(O)OCC2 863868014 STLDQENIMIZGCI-UHFFFAOYSA-N 317.070 -0.915 5 10 DBBE O=C(Cn1cccn1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1358647130 AYRZPIDJABMWSQ-NXEZZACHSA-N 307.310 -0.687 5 10 DBBE COC(=O)[C@@]1(O)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 1455187139 HWMQVABTAIGYFK-CYBMUJFWSA-N 309.278 -0.073 5 10 DBBE Cc1[nH]nc(C(=O)N2CCN([S@@](C)(=N)=O)CC2)c1[N+](=O)[O-] 1455496670 CKOOUVBMKORYKZ-OAQYLSRUSA-N 316.343 -0.024 5 10 DBBE O=C(O)[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1 1615977044 JBDLHBVBWPCVJV-XVKPBYJWSA-N 315.307 -0.312 5 10 DBBE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1624069640 NEIFFBUXOVZIFQ-QJPTWQEYSA-N 321.337 -0.194 5 10 DBBE COC[C@@H]1C[C@@H](O)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1640710846 BZVNVUAYZFXYRQ-VHSXEESVSA-N 311.294 -0.635 5 10 DBBE CCN(C)C(=O)CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1663723016 QYCFNYSALUJHJF-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE O=C(NCC(O)(CO)CO)c1ccc(Cl)c([N+](=O)[O-])c1 1913800866 SUBJXYJEWAHGRN-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE C[S@](=O)(=NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCNC1 2159071242 ROGRRRRAVLBABS-FFVOIRBGSA-N 301.328 -0.222 5 10 DBBE O=C(O)[C@H]1CN(c2cc([N+](=O)[O-])ccn2)CCS1(=O)=O 2197722559 TZDUOFDKZPWGLC-MRVPVSSYSA-N 301.280 -0.322 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC(O)(CCO)C2)c1 2286173338 YVJSFHYAHPHUQH-UHFFFAOYSA-N 303.296 -0.892 5 10 DBBE Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC(N)=O)C(=O)C1 458069365 LIEWMHFPVYFMSC-UHFFFAOYSA-N 320.305 -0.327 5 10 DBBE CN(C)CCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1=O 593235702 VBQBVBVLMOWRNA-UHFFFAOYSA-N 324.341 -0.976 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 594745080 VSKUJEWDXMIVJH-ZETCQYMHSA-N 321.336 -0.545 5 10 DBBE CN[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599107607 MIKUPROKANUVIZ-QMMMGPOBSA-N 303.344 -0.299 5 10 DBBE CC(=O)OC[C@@H](CO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1138190939 PAJPNBKKWCGQBS-PWSUYJOCSA-N 312.278 -0.332 5 10 DBBE Cc1nc[nH]c1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1285367387 IBAXWIHKVWNMRW-NXEZZACHSA-N 309.326 -0.086 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCNC[C@H]1c1cccnc1 1326611833 MAYFAANINLNVRD-NSHDSACASA-N 317.309 -0.246 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cn(C)nc1C 1496739284 CGXAFAHRYXPRFZ-ZYHUDNBSSA-N 323.353 -0.028 5 10 DBBE COc1cccc(C(=O)N2CC(=O)NCC23COC3)c1[N+](=O)[O-] 1537421814 TUVLWAFQVCWNAO-UHFFFAOYSA-N 321.289 -0.056 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CO)Cc1cnn(C)c1 1630356621 MIEWZHYFHBNYSJ-NSHDSACASA-N 322.325 -0.447 5 10 DBBE CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCS(=O)CC1 1633518886 IKIVYRMSHKSGAQ-UHFFFAOYSA-N 301.328 -0.444 5 10 DBBE CC(C)NS(=O)(=O)NCCNc1nn(C)cc1[N+](=O)[O-] 1639773330 OYGDNIWFUPXWOX-UHFFFAOYSA-N 306.348 -0.427 5 10 DBBE Cc1ccnn1CC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720484593 DCVLWNKGOMBZDF-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE C[S@](=O)C1CN(S(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 2171954696 RMZGJMHZIJGSMV-IBGZPJMESA-N 319.364 -0.072 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N 2179201761 KHKBXJFKVDJPED-QWRGUYRKSA-N 301.324 -0.059 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289486115 SAQJHQFYICIPMH-MHSYXAOVSA-N 304.690 -0.812 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCO)CCO 50669671 BTOKPUYYCXCQBI-UHFFFAOYSA-N 305.312 -0.848 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] 111024847 QJCJAXUXLZNLDL-SSDOTTSWSA-N 314.323 -0.266 5 10 DBBE CN1CCN(NS(=O)(=O)c2ccc(N)cc2[N+](=O)[O-])CC1 150102159 DBGMKHIUYINNKJ-UHFFFAOYSA-N 315.355 -0.382 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H](CO)O1 594778761 HEMZTFHPFQRGSN-RKDXNWHRSA-N 317.323 -0.240 5 10 DBBE CNCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 599106240 COINVWNEGHPLAA-UHFFFAOYSA-N 304.328 -0.496 5 10 DBBE CCCN(CC(=O)NC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599226112 GYBHUFNHPRGXLB-UHFFFAOYSA-N 319.343 -0.525 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CNC[C@@H]1O 699963801 WXCSPMVFAFMKNT-SCZZXKLOSA-N 301.324 -0.486 5 10 DBBE CN(CCS(N)(=O)=O)c1ncc([N+](=O)[O-])cc1C(=O)O 719722165 FPFVRELXUGHEEC-UHFFFAOYSA-N 304.284 -0.587 5 10 DBBE COCC1(C(=O)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 861326283 HARZTSIDZGIYRD-UHFFFAOYSA-N 318.311 -0.440 5 10 DBBE CO[C@@H](C)CS(=O)(=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1339093024 FHNLQQDVWRRGFC-LURJTMIESA-N 306.300 -0.577 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCC2(CC1)C[C@H](O)CNC2=O 1472892511 WBNXEKUIWJJYOX-VIFPVBQESA-N 309.326 -0.204 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC(C3CS(=O)(=O)C3)C2)n1 1556704072 PZIMUAYXCZXBKR-UHFFFAOYSA-N 314.323 -0.555 5 10 DBBE CC(C)(O)[C@H](O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1556915555 PGOSDYRFEAWJSK-LLVKDONJSA-N 324.337 -0.230 5 10 DBBE CCn1ncc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1568849089 SLWYQMJFRUDYOH-BLDJZWNYSA-N 308.342 -0.275 5 10 DBBE Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC(O)(C(N)=O)C1 1612760312 PMPJKEGDGARELD-UHFFFAOYSA-N 309.204 -0.617 5 10 DBBE Cn1ncnc1C1(O)CN(C(=O)c2cccc([N+](=O)[O-])c2O)C1 1651094735 KHTBTEKWTQFYAD-UHFFFAOYSA-N 319.277 -0.228 5 10 DBBE CN(CCS(N)(=O)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 1660023084 WWFLPHGYWMYJJY-LLVKDONJSA-N 303.340 -0.152 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nc[nH]n1 1737860124 VXLJURFQMFUBHK-RKDXNWHRSA-N 310.314 -0.562 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N1CCNNCC1 2152175843 PXDHMOBZEBJMQN-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE CCN(CCCN=c1[nH]cncc1[N+](=O)[O-])S(C)(=O)=O 2235297452 RWPLACOORJPBMD-UHFFFAOYSA-N 303.344 -0.110 5 10 DBBE NS(=O)(=O)c1cc(C(=O)OC2COC2)cc([N+](=O)[O-])c1F 98059815 XQNYVQYZRRKGJO-UHFFFAOYSA-N 320.254 -0.063 5 10 DBBE NC(=O)[C@]1(O)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 276493507 ODDRVWYLUDWUCM-ZDUSSCGKSA-N 308.294 -0.545 5 10 DBBE CC(=O)NC[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCO1 347886659 JVSQHTUWLZOVIT-SNVBAGLBSA-N 320.309 -0.021 5 10 DBBE C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1CCO 357495271 ZQXVTOBGCPENME-SECBINFHSA-N 309.326 -0.409 5 10 DBBE C[C@H](O)[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCO1 594784047 ZPSREHKHFGEPQV-WCBMZHEXSA-N 317.323 -0.240 5 10 DBBE COC(=O)c1ccnc(N2CCO[C@H](CC(N)=O)C2)c1[N+](=O)[O-] 599187952 SFZBWTNAYPZGNS-MRVPVSSYSA-N 324.293 -0.143 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](O)C2CCC2)n1 599332655 VJKDQJIZCRICMA-SECBINFHSA-N 304.328 -0.232 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)nc1 599391562 KRFVFHUWGHLHSF-ZJUUUORDSA-N 317.323 -0.192 5 10 DBBE CCn1[nH]c(C)nc1=NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600667905 FWHHKMDWLWGOMH-UHFFFAOYSA-N 315.315 -0.529 5 10 DBBE O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCNCCNCC1 923460757 QPFHVMWXIBGXSD-ZDUSSCGKSA-N 324.381 -0.171 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@@H](O)[C@H](CO)C1 1141988989 JJXIULHDSAYJJW-GZMMTYOYSA-N 324.289 -0.209 5 10 DBBE CN(CCNC(=O)c1cnon1)Cc1c([N+](=O)[O-])ncn1C 1266340144 LTEVOMHRTPKHEL-UHFFFAOYSA-N 309.286 -0.427 5 10 DBBE O=C(COCC(F)F)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1299202143 PNVQCWUMEJTVCV-HTQZYQBOSA-N 321.280 -0.302 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)O)[C@@H]2CCCOC2)n1 1344557243 SVVLHJGSHVNFRV-APPZFPTMSA-N 312.282 -0.062 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc[n+]([O-])cc1 1501006285 BRXRVLZNRJSANW-VXGBXAGGSA-N 322.321 -0.484 5 10 DBBE CSCCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1582172068 FBEFQGZGSFVFDM-NXEZZACHSA-N 301.368 -0.021 5 10 DBBE CS(=O)(=O)[C@H]1CSCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] 1586613824 UKAVUJURZCIRPF-ZETCQYMHSA-N 320.352 -0.122 5 10 DBBE C[C@@H]1C(=O)N(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C(=O)N1C 1640913729 HUTULBLSZBMJTC-SSDOTTSWSA-N 323.265 -0.930 5 10 DBBE Cn1cc(CN2CC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])n1 1644593096 XJLBEKGJLWHQOI-VIFPVBQESA-N 303.344 -0.548 5 10 DBBE Cc1nc(N2CCC[C@@]3(C2)NC(=O)NC3=O)ncc1[N+](=O)[O-] 1651027252 JUJDZNOAGZLMMS-LBPRGKRZSA-N 306.282 -0.128 5 10 DBBE CN(C)C1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCC1 1689591447 IAXLPFHQKZVTQZ-GHMZBOCLSA-N 324.381 -0.099 5 10 DBBE NC(=O)CC(=O)N(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1744014192 FBFQFOHPAGGZMO-NXEZZACHSA-N 312.326 -0.976 5 10 DBBE O=[N+]([O-])c1cccc(CNS(=O)(=O)N2CC[C@H](O)C2)c1 1914141844 HJKPBDJKOFRBQV-NSHDSACASA-N 301.324 -0.004 5 10 DBBE O=[N+]([O-])c1nn(CC(CO)(CO)CO)cc1Br 2009584452 WNZBKMKOIGSJHM-UHFFFAOYSA-N 310.104 -0.483 5 10 DBBE O=C(O)CCS(=O)(=O)CCn1cc([N+](=O)[O-])cnc1=O 2145533797 ZEBROTCZEWYONW-UHFFFAOYSA-N 305.268 -0.959 5 10 DBBE C[C@@H](O)[C@H](CO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2174120429 XJKRJOIZHBAHBQ-SVRRBLITSA-N 306.296 -0.680 5 10 DBBE O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@](O)(CO)[C@H](O)C1 2234107377 QRHNDPLHSHYPIV-KOLCDFICSA-N 303.702 -0.062 5 10 DBBE O=[N+]([O-])c1ccc(O[C@H]2CS(=O)(=O)C[C@H]2O)c(CO)c1 37693307 DBWYVWCIVKSULT-KOLCDFICSA-N 303.292 -0.376 5 10 DBBE O=C(O)[C@H]1CSCCN1C(=O)c1cc([N+](=O)[O-])c[nH]c1=O 214962788 JWRDGKULGUNQES-MRVPVSSYSA-N 313.291 -0.075 5 10 DBBE CNc1nc(C)c([N+](=O)[O-])c(N2CCS(=O)(=O)CC2)n1 234511647 VOCFXOBZSGZHHE-UHFFFAOYSA-N 301.328 -0.030 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H](O)CN1CCCCC1 269565635 GVIBQZBUIFVZDN-LBPRGKRZSA-N 311.342 -0.246 5 10 DBBE NC(=O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1=O 459715355 VCPWQTKNXBCWKM-UHFFFAOYSA-N 310.285 -0.137 5 10 DBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cn3nccc3[N+](=O)[O-])C[C@@H]12 853570584 QDAUBVZOGUTAFV-AEJSXWLSSA-N 316.339 -0.507 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCN1CCOCC1 931641461 GDVBRABKBFVOBK-UHFFFAOYSA-N 311.342 -0.110 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(C(=O)O)CCCOC1 1331828332 WQNKNIPAWXWAAM-GFCCVEGCSA-N 312.282 -0.061 5 10 DBBE C[C@@]1(CO)C[C@@H](O)CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1453750660 VRSBLFZZAUEYBZ-FWOIEVBISA-N 304.690 -0.071 5 10 DBBE CC(C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)CS(C)(=O)=O 1537753337 XECRYNVNTDFGRX-UHFFFAOYSA-N 319.343 -0.627 5 10 DBBE O=C(CCc1cn[nH]c1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1582014422 UYXSOIHKHZWORD-GHMZBOCLSA-N 307.310 -0.666 5 10 DBBE O=C1CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1 1639492212 YBQOMTPQDVCZPX-VIFPVBQESA-N 308.294 -0.459 5 10 DBBE CC(C)N(C)C(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1713158964 KEJKUYMKTJBSQJ-DDHJBXDOSA-N 312.370 -0.245 5 10 DBBE C[C@@H]1[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 2182524004 QTIIVWAOYOITPK-MUWHJKNJSA-N 302.312 -0.366 5 10 DBBE CC[S@](C)(=O)=NCCN=c1[nH]cc([N+](=O)[O-])c(=NC)[nH]1 2187307062 LEEPVQXZMVQNBA-FQEVSTJZSA-N 302.360 -0.200 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)cn1 2188682417 PUEWGKGAUBYKHP-BDAKNGLRSA-N 303.296 -0.894 5 10 DBBE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)O 20004293 QCRRROSQQFNKMR-ZCFIWIBFSA-N 320.279 -0.195 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCS(N)(=O)=O 40218778 AANCNPZLOXYCOL-UHFFFAOYSA-N 323.352 -0.530 5 10 DBBE C[C@H](O)[C@H](N)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 312567721 LFFGNZNQNLAOKF-POYBYMJQSA-N 307.303 -0.280 5 10 DBBE O=C1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2F)CN1 312584380 OMXVMNIWRZYYHQ-ZCFIWIBFSA-N 303.271 -0.099 5 10 DBBE COCCN1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1=O 355173794 PMWQZDMNSMLOCA-UHFFFAOYSA-N 311.298 -0.361 5 10 DBBE COC(=O)[C@H](CF)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599307263 POZGSSXOIVTTJA-YFKPBYRVSA-N 310.263 -0.882 5 10 DBBE O=C(CCn1cccn1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1284952091 FVAZSLIQOZVRLW-VXGBXAGGSA-N 321.337 -0.487 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccnn1C 1689064996 JTTNZMSFWAHFHW-MWLCHTKSSA-N 309.326 -0.384 5 10 DBBE COc1ncc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1703364502 WSTMYDWOJQILHR-NXEZZACHSA-N 323.309 -0.614 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)Cn1cccn1 1714682634 HEZPOURBTIRFKN-UHFFFAOYSA-N 321.341 -0.227 5 10 DBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc[nH]n1 1866024971 LUEQHRFLOUHLBM-UHFFFAOYSA-N 316.233 -0.052 5 10 DBBE O=[N+]([O-])c1c(N[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)nc2sccn12 2165125258 VEZTTXQAQOKEIF-UCROKIRRSA-N 300.296 -0.429 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CC(O)(CO)C2)ccc1Cl 2171960897 WFXTZWXXJAWEIF-UHFFFAOYSA-N 322.726 -0.024 5 10 DBBE CS[C@H]1CNC[C@@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2205583966 TXRGNSVBAYPRPR-UWVGGRQHSA-N 318.380 -0.029 5 10 DBBE CCNc1nc(C)c([N+](=O)[O-])c(NCCS(N)(=O)=O)n1 233632428 CNCRVNBENNEQKP-UHFFFAOYSA-N 304.332 -0.175 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(OCCO)CCOC1 596454290 SHFSYZZPCCLTEX-ZDUSSCGKSA-N 313.310 -0.169 5 10 DBBE Cc1nn(CCC(=O)NCCc2nnnn2C)c(C)c1[N+](=O)[O-] 611313425 LQJFBEDPZZBQTI-UHFFFAOYSA-N 322.329 -0.319 5 10 DBBE C[C@@H](O)C(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 615279906 AXBCVWCNSGOGJK-SECBINFHSA-N 324.337 -0.301 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](O)CC(F)(F)C2)c1 615823140 XBVYKKUAPHQGKG-VHSXEESVSA-N 306.269 -0.146 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)n1 1329058733 COHPBFDNQBZJFN-NXEZZACHSA-N 309.326 -0.391 5 10 DBBE Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2=O)n(C)n1 1435362709 PWUBQGMWBCLFIY-OPRDCNLKSA-N 307.310 -0.385 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cncnc1 1492349239 MEYWYGSOHLRYMQ-VXGBXAGGSA-N 321.337 -0.351 5 10 DBBE CN(CCNC(=O)c1nnn(C)n1)Cc1ccc([N+](=O)[O-])cc1 1567297979 GHWNYBGHLXWEPL-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE CN(CCNC(=O)c1cnc2n1CCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688345425 WHAFCKRKGDMUKG-NXEZZACHSA-N 321.337 -0.317 5 10 DBBE Cn1c(C(=O)NCCCn2ncccc2=O)cnc1[N+](=O)[O-] 1890916855 ACKUDPDRDSMURY-UHFFFAOYSA-N 306.282 -0.295 5 10 DBBE Cc1nc(Cl)[nH]c(=NCCCNS(N)(=O)=O)c1[N+](=O)[O-] 2157537618 RSMNUXMFXYWZSX-UHFFFAOYSA-N 324.750 -0.636 5 10 DBBE O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O)c1csc([N+](=O)[O-])c1 2177861697 WSYUILGRSKVDDI-SVARNEQVSA-N 302.308 -0.511 5 10 DBBE CCNS(=O)(=O)CCN=c1[nH]c(CC)ncc1[N+](=O)[O-] 2286688269 VAPDISOHXLKDLC-UHFFFAOYSA-N 303.344 -0.280 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)CCS(N)(=O)=O 70214169 YOOOEWBRJXBGDT-UHFFFAOYSA-N 308.337 -0.035 5 10 DBBE COCCNC(=O)c1cc([N+](=O)[O-])c(F)c(S(N)(=O)=O)c1 87892126 XPMMSFFJDGENKM-UHFFFAOYSA-N 321.286 -0.243 5 10 DBBE NC(=O)[C@H](N)Cn1cc([N+](=O)[O-])cc(Br)c1=O 165351931 CDGUEKFGXGICGF-ZCFIWIBFSA-N 305.088 -0.668 5 10 DBBE NC(=O)[C@H](O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 228579142 UIMIFGWURNFOCY-MRVPVSSYSA-N 323.714 -0.627 5 10 DBBE C[C@H](CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)[S@@](C)=O 229802032 JMXYMFABINCONF-CYKBGDKZSA-N 304.372 -0.101 5 10 DBBE CCNC(=O)CN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594754759 CQEJBAKANWYTOD-UHFFFAOYSA-N 302.312 -0.254 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(C2CC2)C(=O)C1 610497546 XDIIXCYEGLXBCO-UHFFFAOYSA-N 320.305 -0.410 5 10 DBBE CCOC[C@@H](C(=O)OC)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 610942019 KLNIJDDUOKAJBI-QMMMGPOBSA-N 315.286 -0.777 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(c2ncnc(N)c2[N+](=O)[O-])C1 703159587 AQZLTQMGKYRXPB-LURJTMIESA-N 302.316 -0.905 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc([N+](=O)[O-])cn1 710804505 ZWKGNHMTMNOMDK-GHMZBOCLSA-N 301.324 -0.109 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OCc1ncnn1CC(F)F 1263473694 ZWKADJXULDFDHC-UHFFFAOYSA-N 317.212 -0.214 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@](O)(C(F)F)C2)c1 1307781218 WNANREYTNZVOAO-ONGXEEELSA-N 306.269 -0.146 5 10 DBBE Cc1[nH]nc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)c1[N+](=O)[O-] 1629589878 AGBGXDVYPAVJFF-WPRPVWTQSA-N 310.358 -0.010 5 10 DBBE Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1632818351 ACWGDEKWMAXYCC-TWBPLJEYSA-N 312.351 -0.283 5 10 DBBE C[C@@H](CN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1nn[nH]n1 1638041738 HZPAJOZZWIKWBZ-QMMMGPOBSA-N 321.297 -0.468 5 10 DBBE Cc1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 1705011981 COWMYDYIXPRAGJ-IRSQKABVSA-N 319.321 -0.148 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1nn(C)cc1[N+](=O)[O-] 2159113265 PXUNAPLLOUNXJG-WPRPVWTQSA-N 304.328 -0.770 5 10 DBBE CS(=O)(=O)[C@@H]1CCN(c2ncnc(NN)c2[N+](=O)[O-])C1 2179894323 QBZINISFCPJNDH-ZCFIWIBFSA-N 302.316 -0.706 5 10 DBBE NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1cncc([N+](=O)[O-])c1 2187583392 KEGCCJGCHKIWOP-APPZFPTMSA-N 302.312 -0.928 5 10 DBBE Cc1c([N+](=O)[O-])c(=N[C@H]2COC[C@@H]2S(C)(=O)=O)[nH]n1C 2207469345 HPXLOMHZDUIREA-YUMQZZPRSA-N 304.328 -0.717 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(=NC[C@H]2CCS(=O)(=O)N2)[nH]1 2239227749 XOBZYCMFRSPOSK-MRVPVSSYSA-N 303.344 -0.102 5 10 DBBE NC(CO)(CO)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] 2286179276 WNTOCENKROOAQQ-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE CO[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 43592354 GFMGFUVMSREECP-ZJUUUORDSA-N 319.314 -0.001 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2NN)C1 49086987 BAEYCCHZBRQCLJ-MRVPVSSYSA-N 315.355 -0.137 5 10 DBBE CS(=O)(=O)N[C@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 54470027 ICVQYCPAXYZTLQ-VIFPVBQESA-N 303.344 -0.238 5 10 DBBE NS(=O)(=O)c1ccc(OC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 116884213 OTKDYAAENIUUAO-QMMMGPOBSA-N 317.323 -0.391 5 10 DBBE O=C1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C(=O)N1 269642847 XZUCWVZJSMQDQZ-JTQLQIEISA-N 307.262 -0.105 5 10 DBBE CCNC(=O)C1CN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 583153071 GHHSITKLUKLSGP-UHFFFAOYSA-N 307.310 0.240 5 10 DBBE CCOC(=O)C[C@@H](CO)NC(=O)Cn1ccc([N+](=O)[O-])n1 590557295 QZVUAEVMTLKXFT-QMMMGPOBSA-N 300.271 -0.778 5 10 DBBE O=C1[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCC1 600762987 YQFOMWXSZNJROG-CHWSQXEVSA-N 323.353 -0.105 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](O)C[C@@H](O)C1 610606576 MBDIHCUXSLTXAA-PHIMTYICSA-N 323.305 -0.204 5 10 DBBE CO[C@@]1(CNc2nn(C)cc2[N+](=O)[O-])CCS(=O)(=O)C1 721220745 YHBUIMXZXHJMEO-SNVBAGLBSA-N 304.328 -0.056 5 10 DBBE CN1CC[C@H](C(=O)OCCn2ccc([N+](=O)[O-])n2)S1(=O)=O 830165123 RWSZPFOJZNPNFQ-MRVPVSSYSA-N 318.311 -0.632 5 10 DBBE CNS(=O)(=O)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1154537056 MJPCEKYTZVBNRP-SNVBAGLBSA-N 317.323 -0.706 5 10 DBBE CCN(CC)C(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1480391544 PRPGZSRSFHCUBH-DIACKHNESA-N 324.381 -0.434 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1634491925 IAAPIVAIFRYKMA-SECBINFHSA-N 320.305 -0.500 5 10 DBBE CC(C)N(C)C(=O)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1732582145 VMRWHIMDSSXAII-VXGBXAGGSA-N 314.386 -0.091 5 10 DBBE CCN=c1cc([N+](=O)[O-])cc(N2CC(S(N)(=O)=O)C2)[nH]1 1914969459 GKJRJGGYEGVTIV-UHFFFAOYSA-N 301.328 -0.679 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1F 2157543377 AFROFSWXWQRMOE-UHFFFAOYSA-N 306.275 -0.743 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2(CO)CC(O)C2)cn1 2193973463 HHNWKSGRDFBLMT-UHFFFAOYSA-N 303.296 -0.846 5 10 DBBE NS(=O)(=O)c1cn(C[C@@]23CCOC[C@H]2C3)nc1[N+](=O)[O-] 2194491759 FPCUQMDRNSRKAJ-XCBNKYQSSA-N 302.312 -0.135 5 10 DBBE CO[C@@H]1CNC[C@@H]1S(=O)(=O)Nc1ccc([N+](=O)[O-])cn1 2202439856 PCNMVKSCUQCLGH-BDAKNGLRSA-N 302.312 -0.282 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CC[C@@](O)(CO)[C@H](O)C1 2234093260 SKWITNIPZXNVEO-MWLCHTKSSA-N 304.324 -0.557 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCNS(C)(=O)=O 44706651 HRZFBPQMHKKLFK-UHFFFAOYSA-N 316.339 -0.033 5 10 DBBE NNc1cccc(S(=O)(=O)N[C@H]2CCOC2)c1[N+](=O)[O-] 126821821 ONKKOIIMEUGMDS-ZETCQYMHSA-N 302.312 -0.052 5 10 DBBE COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)N1CCNCC1 170319234 RSCLNGVNIKEPRA-UHFFFAOYSA-N 308.294 -0.026 5 10 DBBE CCN([C@@H]1CCNC1=O)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594781562 RVCRAKHEYYJTFL-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE C[C@]1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCC(=O)N1 594782638 GKTAZIGASPANRY-LLVKDONJSA-N 314.323 -0.063 5 10 DBBE CN(C[C@@H]1CCOC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599252548 QSISIJYRLKEONC-QMMMGPOBSA-N 304.328 -0.015 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)O 691718362 VMKCRHXAFXNSRS-QMMMGPOBSA-N 307.259 -0.113 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)[C@H](O)CO 698916792 CMUAVTBRDDSBPB-LHLIQPBNSA-N 308.287 -0.246 5 10 DBBE O=C1CCOC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 717237531 GYXMNIPINUXQBE-QMMMGPOBSA-N 301.280 -0.374 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(CCc2cnccn2)CC1 871218354 OOIRVTXBHWYKOT-CHWSQXEVSA-N 305.338 -0.172 5 10 DBBE COC[C@]1(CO)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 1194410687 VSEBTRBCPVKTTB-CHWSQXEVSA-N 314.342 -0.517 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC1(O)CCC1 1285365891 IWGNBOGVMMNNTF-GHMZBOCLSA-N 313.354 -0.127 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)O[C@H]1CCCS(=O)(=O)C1 1357567590 FUPCKNVOXMUUHP-ZETCQYMHSA-N 304.284 -0.693 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCOCCS(C)(=O)=O)n1 1360405764 OSPDGQDCXXJGSC-UHFFFAOYSA-N 320.327 -0.881 5 10 DBBE NC(=O)C1(O)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 1454392061 PUQVSEJOGHUZKH-UHFFFAOYSA-N 320.305 -0.159 5 10 DBBE O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1COC[C@H]1O 1556631905 BWHWZNMKGHVLRL-VXGBXAGGSA-N 323.305 -0.409 5 10 DBBE Cn1nccc1CCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1582023825 YDCDZTUZDJGUMC-VXGBXAGGSA-N 321.337 -0.655 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NCCS(=O)(=O)C1CC1 1585062748 FTEAQQJHEAMGTO-UHFFFAOYSA-N 316.339 -0.125 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(C[C@H](O)CNC2=O)C1 1595699373 NAMXLXGRRIRITP-VIFPVBQESA-N 308.294 -0.744 5 10 DBBE O=C(NCC(=O)N1C[C@@H](O)[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 1638815287 SZUIWPSXPFUQHH-CMPLNLGQSA-N 323.305 -0.864 5 10 DBBE C[C@](CO)(NC(=O)Cn1cnnn1)c1cccc([N+](=O)[O-])c1 1643600577 KPFSGPXGBFUNTA-GFCCVEGCSA-N 306.282 -0.395 5 10 DBBE COC[C@H]1COCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1644624542 LVYXRWRNKLUUHG-NWDGAFQWSA-N 300.315 -0.501 5 10 DBBE O=C1[C@H](N2C[C@@H](CO)[C@@H](O)C2)CCN1c1cccc([N+](=O)[O-])c1 1646100838 GUYKJRYNUPICDJ-GDLCADMTSA-N 321.333 -0.015 5 10 DBBE CN(C)CCC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720552510 ANCSGPKEAMVQFR-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N=[S@@](C)(=O)[C@@H]1CCNC1 2186529720 UXWQESAOMADZAA-GLEHDBDLSA-N 301.328 -0.072 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCS[C@H](C(=O)O)C2)n1 2186550080 POIAGHTZDIVBCK-ZETCQYMHSA-N 300.296 -0.030 5 10 DBBE CS(=O)(=O)N1CC(Nc2cc(NN)ccc2[N+](=O)[O-])C1 2206804524 ZJVJNKGGXIYFOR-UHFFFAOYSA-N 301.328 -0.064 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCOC2CNC2)cc1 2362423889 UFHAYEYPPPXTSG-UHFFFAOYSA-N 301.324 -0.139 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1ncn[nH]1 80632939 URUOOQYPTKUPJG-UHFFFAOYSA-N 312.311 -0.184 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](O)CO)c(Cl)c1 90281412 TTWRMZXTHCVNLK-ZETCQYMHSA-N 310.715 -0.120 5 10 DBBE NC(=O)CONC(=O)c1cc([N+](=O)[O-])ncc1Br 302256536 BACWHMVYCUYMAK-UHFFFAOYSA-N 319.071 -0.101 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)NN1CCOCC1 312509657 AJCVWLAMCRLCCM-UHFFFAOYSA-N 302.312 -0.298 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H](N2CCCS2(=O)=O)C1 377201545 LVSFEFWMIVBHPL-HBNTYKKESA-N 317.367 -0.322 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCCN1CCO 452389790 MSUWABPIPNTCFG-LLVKDONJSA-N 311.342 -0.246 5 10 DBBE CNC(=O)[C@H]1CCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] 594259955 OSTUYUMNSNZLOL-SECBINFHSA-N 307.310 0.382 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCOC3)CC2)n1 611335211 YXZNVJNHOKZHCE-JTQLQIEISA-N 309.326 -0.125 5 10 DBBE CS(=O)(=O)C1CC(Nc2nc(NN)ncc2[N+](=O)[O-])C1 716078769 QGUPVIIZQMDAOM-UHFFFAOYSA-N 302.316 -0.342 5 10 DBBE CN(C)C[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 716778212 JSDPOLYBKBNHGA-VIFPVBQESA-N 303.340 -0.204 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2cccnc2)n1 780293719 LPAUFIGAURAVTO-UHFFFAOYSA-N 311.279 -0.158 5 10 DBBE C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H](C)S(C)(=O)=O 1150031476 YDAAMAOSVSQATJ-RKDXNWHRSA-N 318.355 -0.023 5 10 DBBE O=C(c1cccc([N+](=O)[O-])c1)N1CC2(C[C@H](O)CNC2=O)C1 1177692261 DMMJLUHEWOKALV-NSHDSACASA-N 305.290 -0.082 5 10 DBBE COc1cnc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1 1496332179 WXBMKLWLLDNTJN-NXEZZACHSA-N 323.309 -0.661 5 10 DBBE Cn1cc(CN2CCC(O)(COCCO)CC2)c([N+](=O)[O-])n1 1560155899 XLNYREYKDXVJDD-UHFFFAOYSA-N 314.342 -0.336 5 10 DBBE O=C(Cn1ccnc1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1573147118 MEOWHZCASGBUMS-WRWGMCAJSA-N 321.337 -0.441 5 10 DBBE Cc1cc(C(=O)NCC(=O)NCCCNC=O)ccc1[N+](=O)[O-] 1861811494 AVXBHXLMOYMYQE-UHFFFAOYSA-N 322.321 -0.115 5 10 DBBE Nc1cc(CN2CCS(=O)(=O)CCN2)ccc1[N+](=O)[O-] 2165093391 MRYCNNPRBFVJTE-UHFFFAOYSA-N 300.340 -0.088 5 10 DBBE O=[N+]([O-])c1ccnc(NS(=O)(=O)N2CCCNCC2)c1 2202448168 DTBXEYBTUNSXCH-UHFFFAOYSA-N 301.328 -0.058 5 10 DBBE NCc1ccc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@H]2O)c1 50516344 OMFCFJZESCWPTP-MWLCHTKSSA-N 302.308 -0.410 5 10 DBBE CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(N)=O)c1 50638711 NNZPHYVIMALPEX-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE C[C@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 90276921 PODREMXTQRRGBU-VIFPVBQESA-N 305.268 -0.896 5 10 DBBE CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131342368 PWMRYWBAXUBNSF-ONGXEEELSA-N 319.314 -0.001 5 10 DBBE COC[C@@H](NS(=O)(=O)c1cncc([N+](=O)[O-])c1)C(=O)O 312507812 ROCPKWIHOUZOEC-MRVPVSSYSA-N 305.268 -0.632 5 10 DBBE COc1ncccc1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 362171671 ZLFIFZFKNSJNHP-UHFFFAOYSA-N 306.282 -0.051 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@@H](CO)O1 594778760 HEMZTFHPFQRGSN-IUCAKERBSA-N 317.323 -0.240 5 10 DBBE CSC[C@@H](CCO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599240747 AMHUIVOHFKYRNB-SSDOTTSWSA-N 324.384 -0.279 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)O3)n1 599246846 MNPFWBKXCBIHSK-OCAPTIKFSA-N 302.312 -0.120 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1c([N+](=O)[O-])nc(C)n1C 697268661 BLNXDLDYNUQYHU-JGVFFNPUSA-N 304.328 -0.139 5 10 DBBE COc1ccc(C(=O)NCC(=O)N2CC[C@H]2CO)cc1[N+](=O)[O-] 1156970186 OLJSCHKRXRWKJG-JTQLQIEISA-N 323.305 -0.074 5 10 DBBE CCc1cc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1C 1284549836 JZQDEBRLZWFZRS-ZYHUDNBSSA-N 323.353 -0.164 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CS(C)(=O)=O)n1 1353399407 MTZBRMRXRZELIH-SSDOTTSWSA-N 304.328 -0.026 5 10 DBBE Cc1n[nH]cc1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357215556 AYQYGEQXAIDDSD-MWLCHTKSSA-N 309.326 -0.086 5 10 DBBE Cc1oncc1CN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1485405349 LKFAWQJKFUGGAZ-VXGBXAGGSA-N 324.337 -0.299 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNC2(CO)CCSCC2)c1 1559900444 LXDPYEOAXOYJBI-LLVKDONJSA-N 316.383 0.000 5 10 DBBE O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1C[C@@H](CO)[C@@H](O)C1 1570214638 QXIVUEXWKPXFBB-KWQFWETISA-N 324.289 -0.209 5 10 DBBE COCCN(CCNC(=O)C(C)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1701896469 PALNNTPKPACMTG-RKDXNWHRSA-N 323.296 -0.102 5 10 DBBE COC(=O)C1CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2159750683 FBXHEPFUXIYVDK-UHFFFAOYSA-N 301.280 -0.217 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(c2ncnc(N)c2[N+](=O)[O-])C1 2170672391 BQNRNMPVMALVNL-LURJTMIESA-N 302.316 -0.905 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@H](O)C(=O)O 2176843536 SDQGSBQNCDFBHQ-XRGYYRRGSA-N 305.268 -0.898 5 10 DBBE CN=c1[nH]c(O[C@@H]2C[P@@](C)(=O)C[C@@H]2N)ncc1[N+](=O)[O-] 2184672691 IOWWFARMSHNQBG-FUUDOBROSA-N 301.243 -0.070 5 10 DBBE O=C(O)C1CN(S(=O)(=O)Nc2ncccc2[N+](=O)[O-])C1 2202432929 ZEADOYFKACAQET-UHFFFAOYSA-N 302.268 -0.337 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@H]2CCC2=O)n1 2240653529 HUVFFRYDMVECHE-SSDOTTSWSA-N 302.312 -0.273 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@@H]([C@@H](O)CO)[C@@H](O)[C@@H]1O 13425145 VCSKAKIULNIBRN-PJSNJIKXSA-N 314.294 -0.885 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)CO 94780252 OOABICPQFUPWNH-ZETCQYMHSA-N 308.287 -0.326 5 10 DBBE COC[C@H](NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)C(=O)O 158448550 BWYGSLMBRVFNJN-QMMMGPOBSA-N 300.271 -0.376 5 10 DBBE NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 609623645 QQVBBROXYNAQJF-ZETCQYMHSA-N 302.312 -0.184 5 10 DBBE Nc1sc(S(=O)(=O)N[C@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] 707022867 QUBIUNJKURLUCC-CAHLUQPWSA-N 323.352 -0.333 5 10 DBBE N[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 721927463 VIKQFFDHZUIBJN-NXEZZACHSA-N 302.312 -0.616 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)C(=O)NCCF 1128451326 KTYFALUXRZCEJI-ZETCQYMHSA-N 301.278 -0.310 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1299144463 SPDHVCQZBGSGFD-KYXWUPHJSA-N 304.324 -0.934 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC[C@@]1(CO)COC[C@@H]2CCCN21 1651522264 POZHFKHCSYBMJZ-GXFFZTMASA-N 311.342 -0.034 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1CCCC1=O 1707374787 ATERGSVRSMPYSF-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1717127812 DHHYWZPZXYCALE-VXGBXAGGSA-N 324.381 -0.288 5 10 DBBE NC(=O)C1(Oc2ncc([N+](=O)[O-])cc2Br)CNC1 2056345613 AOTPHLNYQOHLJD-UHFFFAOYSA-N 317.099 -0.042 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NN2CCNCC2)cc1F 2145592731 CRYXLDWJVYRFRY-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@@H]2CCCN2)n1 2240628578 YSUDYTYJSCVPSA-QMMMGPOBSA-N 303.344 -0.500 5 10 DBBE COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 35219859 LFCRQTBBVZFPEJ-ZETCQYMHSA-N 322.270 -0.454 5 10 DBBE Cn1c(N)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 39125207 FHBQGPIIROINIF-UHFFFAOYSA-N 319.277 -0.173 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N(CCO)CCO)ccc1O 40750934 SNSYFISTDFWOAE-UHFFFAOYSA-N 306.296 -0.724 5 10 DBBE Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)C1 94780476 IJRSUESXEJZMGH-UHFFFAOYSA-N 314.323 -0.394 5 10 DBBE NNc1cccc(S(=O)(=O)NN2CCOCC2)c1[N+](=O)[O-] 126829499 ODJBWYMLUBMOFK-UHFFFAOYSA-N 317.327 -0.594 5 10 DBBE C[C@@]1(C(N)=O)CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 248568120 FKKHZDKTNBZTCP-YPMHNXCESA-N 311.342 -0.118 5 10 DBBE CS(=O)(=O)C1CCN(c2nc(N)ncc2[N+](=O)[O-])CC1 313626212 YWGSACRNUSGAMD-UHFFFAOYSA-N 301.328 -0.020 5 10 DBBE CC(C)C(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 330403742 WJVAFYXXRYPRRM-UHFFFAOYSA-N 310.314 -0.487 5 10 DBBE Cc1c(C(=O)N2CCN(CC(N)=O)C(=O)C2)cccc1[N+](=O)[O-] 458047908 QOZNJDTYRBLSPB-UHFFFAOYSA-N 320.305 -0.327 5 10 DBBE O=C1NCCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593529596 CGAYRNKTNWEQBO-VIFPVBQESA-N 314.323 -0.063 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H]2NCCO[C@@H]2C1 725372923 CLQZMXASILETRA-MWLCHTKSSA-N 313.335 -0.044 5 10 DBBE O=C(NCCN1CCC2(C1)OCCO2)c1cc([N+](=O)[O-])n[nH]1 1167470532 UFHKYDJIAVFYAG-UHFFFAOYSA-N 311.298 -0.504 5 10 DBBE Cc1nn(C)c(C(=O)N2CCO[C@H](CC(N)=O)C2)c1[N+](=O)[O-] 1261835094 IVHBDTJIHXGZOB-MRVPVSSYSA-N 311.298 -0.647 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnn(C)n1 1266560169 CBARNRBIRNJNTG-NXEZZACHSA-N 311.346 -0.797 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H](CO)[C@@H]1CCOC1 1295796321 AVVPBBSSMDISCM-ZJUUUORDSA-N 311.294 -0.730 5 10 DBBE CCNC(=O)C(C)(C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1527705632 VTFRJQKEWIUSCC-UHFFFAOYSA-N 310.310 -0.213 5 10 DBBE Cc1nccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1705265692 PGWQRGLFQLFENM-MWLCHTKSSA-N 319.321 -0.171 5 10 DBBE CCn1ncc([N+](=O)[O-])c1C(=O)OC1CN(C(=O)COC)C1 1850815482 QTSVCHQSRZQPDF-UHFFFAOYSA-N 312.282 -0.175 5 10 DBBE CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc([N+](=O)[O-])cc1 1861034237 UBDYQTKVIPVACJ-JTQLQIEISA-N 308.294 -0.295 5 10 DBBE CN(c1cc(C(=O)O)c([N+](=O)[O-])cn1)C1CS(=O)(=O)C1 2152242911 AZXYDWCCHAVFSN-UHFFFAOYSA-N 301.280 -0.079 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(c2ncnc(N)c2[N+](=O)[O-])C1 2170672393 BQNRNMPVMALVNL-ZCFIWIBFSA-N 302.316 -0.905 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2CC3(CNS(=O)(=O)C3)C2)n1 2176111470 TYAXVWTZAOGNOC-UHFFFAOYSA-N 301.328 -0.937 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](N)[C@H](C)O 80736672 NRADYYSEKGBVKK-IUCAKERBSA-N 303.340 -0.110 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)ccc1F 93091828 ZELVEUMPJNGHGR-AOOOYVTPSA-N 306.271 -0.540 5 10 DBBE CC(C)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C1=O 494756270 MIQIXMBBDRMNLZ-JTQLQIEISA-N 324.341 -0.098 5 10 DBBE C[C@@](O)(CO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 578867848 FYOKHJXNWXFKNU-LBPRGKRZSA-N 318.351 -0.299 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](O)[C@H](C)O 717400789 FOYDHOKJFLCHQG-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE O=C(NCCN1CCN(C(=O)C(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1283828860 ZNBKKSNXVREKJE-RKDXNWHRSA-N 320.296 -0.823 5 10 DBBE COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(S(N)(=O)=O)C1 1299239715 NSJQXOKXHCDUJN-UHFFFAOYSA-N 315.307 -0.284 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)S(C)(=O)=O 1526280253 BNUFGHNPQRTOKE-SSDOTTSWSA-N 304.328 -0.351 5 10 DBBE COC(=O)[C@@H]1CC(F)(F)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 1533717925 YBFXAFDTKKUULI-LURJTMIESA-N 319.224 -0.405 5 10 DBBE CN(CCO)CCN(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1642422397 SJNKJJNMMQAHMQ-UHFFFAOYSA-N 305.722 -0.033 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](NS(C)(=O)=O)C1 1652484276 NPJIGPSEPIWCQG-SNVBAGLBSA-N 317.371 -0.277 5 10 DBBE CC(C)=CC(=O)NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1687876019 FSXIDTSSWXJLRL-CHWSQXEVSA-N 324.381 -0.122 5 10 DBBE Nc1nc(N2CCC[C@H]2CS(N)(=O)=O)ccc1[N+](=O)[O-] 2146423736 GPZURSNQQJRIAR-ZETCQYMHSA-N 301.328 -0.171 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(OCCO)C2)cn1 2152290212 QXVVDTZCRXYYBR-UHFFFAOYSA-N 303.296 -0.628 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)Cc1ccc([N+](=O)[O-])cc1 2152955921 ZKJJJZYJPGVGKE-MRVPVSSYSA-N 301.324 -0.070 5 10 DBBE NS(=O)(=O)NCCNc1cc(C(=O)O)ccc1[N+](=O)[O-] 2157525297 KPHQPRXDWXVTPM-UHFFFAOYSA-N 304.284 -0.502 5 10 DBBE CO[C@@H]1CNC[C@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2179111734 UBEFEKIJDGCUFH-NXEZZACHSA-N 302.312 -0.745 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CC2(C1)OC[C@@H](O)[C@@H]2O 2183726025 WNHZBUFNGVNGJC-MUWHJKNJSA-N 300.292 -0.397 5 10 DBBE NCCCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2281157786 UYIBKOCYEZMJMA-UHFFFAOYSA-N 303.340 -0.073 5 10 DBBE CNc1ccc(S(=O)(=O)N2CCNC(=O)C2)c([N+](=O)[O-])c1 50649843 DHOZDKOBQSQEFB-UHFFFAOYSA-N 314.323 -0.243 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50674401 XOUSXAFIQXXREO-LURJTMIESA-N 302.312 -0.410 5 10 DBBE COCC[C@@H](NC(=O)CCn1cnc([N+](=O)[O-])c1)C(=O)O 52784663 IMSJTKKJBJKDBH-MRVPVSSYSA-N 300.271 -0.213 5 10 DBBE Nc1cc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)ccc1[N+](=O)[O-] 132757566 AXDMUOSTOFJJGX-ZETCQYMHSA-N 314.323 -0.266 5 10 DBBE COC(=O)C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 330645905 GSNPZEDCKVKLDZ-MRVPVSSYSA-N 312.282 -0.268 5 10 DBBE CS(=O)(=O)NC[C@H]1COCCN1c1ncccc1[N+](=O)[O-] 599185912 WUVKTUZJXZCGDL-VIFPVBQESA-N 316.339 -0.256 5 10 DBBE C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)CO 704947969 RRVONOCFRYQORO-HTRCEHHLSA-N 308.287 -0.246 5 10 DBBE CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 863826908 ALCIFNBDDWEGNY-IVZWLZJFSA-N 305.356 -0.561 5 10 DBBE COC(=O)C1(O)CN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 1152810777 CUYOUYZCTARTDS-UHFFFAOYSA-N 309.278 -0.247 5 10 DBBE CC(C)(C)C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1285972792 RTLKKPVYXQIRBI-NXEZZACHSA-N 313.354 -0.223 5 10 DBBE Cc1nn(CCC(=O)N2CC(NC3COC3)C2)c(C)c1[N+](=O)[O-] 1304208088 JGERINYVELUUSS-UHFFFAOYSA-N 323.353 -0.003 5 10 DBBE Cn1cncc1CCC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1350010259 WLVDRMIXEKTVMX-VXGBXAGGSA-N 323.353 -0.360 5 10 DBBE O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc[nH]c1 1509196154 ORPVHLOMOCFLAA-GHMZBOCLSA-N 322.321 -0.627 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccc(O)nn1 1641229291 MBNYIRGEYMLCHH-UHFFFAOYSA-N 305.250 -0.432 5 10 DBBE O=[N+]([O-])c1nn(C[C@]2(O)CNC[C@H]2O)cc1Br 1951004451 SNNSSKINVXPIDT-HTRCEHHLSA-N 307.104 -0.751 5 10 DBBE NS(=O)(=O)c1cn(C[C@H]2COCCCO2)nc1[N+](=O)[O-] 2154009937 DYSJVNGZSATUJU-ZETCQYMHSA-N 306.300 -0.756 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1cc(Cl)ncc1[N+](=O)[O-])C(=O)O 2165862939 AXJBAEHYESOILA-BYPYZUCNSA-N 324.702 -0.203 5 10 DBBE NNc1sc(S(=O)(=O)N2C[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] 2186370267 IJUIPHPOWXAOHY-VDTYLAMSSA-N 320.352 -0.039 5 10 DBBE CCCc1ncc([N+](=O)[O-])c(=NCCS(=O)(=O)NC)[nH]1 2286662001 KQVQRMSCFYBCKO-UHFFFAOYSA-N 303.344 -0.280 5 10 DBBE NNc1cc(S(=O)(=O)NCCCC(N)=O)ccc1[N+](=O)[O-] 131304257 SEPNFJUDHISRIU-UHFFFAOYSA-N 317.327 -0.576 5 10 DBBE CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1)C(N)=O 131316297 DKDKVEPSUIUHJF-UHFFFAOYSA-N 317.327 -0.577 5 10 DBBE C[C@H]1OCC[C@@H]1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 190301421 MAUYAWUWQRXPKC-SCZZXKLOSA-N 304.328 -0.112 5 10 DBBE CN(C)C1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 1494217034 MPXCBLIBFQDLMS-WRWGMCAJSA-N 324.381 -0.101 5 10 DBBE Cc1c(CC(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1704203377 RKRRCHGTUMILJQ-VXGBXAGGSA-N 323.353 -0.489 5 10 DBBE O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCO 1859457682 TUVASBIWSMKGSJ-UHFFFAOYSA-N 307.262 -0.311 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1COC[C@H]1O 2154109615 TUAJCJDLXDHNNC-WCBMZHEXSA-N 302.308 -0.120 5 10 DBBE NS(=O)(=O)NCCNc1ccc([N+](=O)[O-])c2nonc12 2157534785 NPDKQUKZQXWPOH-UHFFFAOYSA-N 302.272 -0.664 5 10 DBBE CN(CCCNCc1nn(C)cc1[N+](=O)[O-])S(C)(=O)=O 2159124149 GLDIFIHLZQTLDQ-UHFFFAOYSA-N 305.360 -0.301 5 10 DBBE C[C@@H](O)[C@H](CO)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2174119391 PRLPKUNDMCVAPY-MUWHJKNJSA-N 308.287 -0.246 5 10 DBBE C[C@H](NS(=O)(=O)c1cncc([N+](=O)[O-])c1)[C@H](O)C(=O)O 2176840523 HLFCPNQHDJSIFT-XNCJUZBTSA-N 305.268 -0.898 5 10 DBBE CS(=O)(=O)c1cccc(NC[C@H](O)C(=O)O)c1[N+](=O)[O-] 2176866275 FHDJBNKYKWNJAW-ZETCQYMHSA-N 304.280 -0.144 5 10 DBBE CC(=O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](O)[C@H]2CO)s1 2201039043 YQSUJDXDVBLWHO-WEDXCCLWSA-N 302.308 -0.238 5 10 DBBE CS[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2205580729 CLPMHKLXJRIQDA-BDAKNGLRSA-N 318.380 -0.029 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289482399 CLUNJDUCNNGZCP-WHFVKQHSSA-N 304.324 -0.701 5 10 DBBE CO[C@@H](CN)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2365428205 WNZKIDBKNJASCV-QMMMGPOBSA-N 307.303 -0.014 5 10 DBBE COC(=O)[C@@H](CF)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593596384 QXWDWQWGRDXPMG-SSDOTTSWSA-N 307.259 -0.221 5 10 DBBE CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594785220 KXYHNMPEZPEMJN-MRVPVSSYSA-N 314.323 -0.254 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@]1(C)CO 599350272 PTGQYUVYKDWOFI-LDYMZIIASA-N 318.355 -0.033 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1=COCCO1 1296300861 MRFTYTXUWBUTTF-NXEZZACHSA-N 313.310 -0.496 5 10 DBBE C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])CN1CCN(C)CC1 1320398786 KOYYCNGCAMBZKH-LLVKDONJSA-N 324.385 -0.058 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(C[C@H]2CCc3ncnn32)c1=O 1472973258 TVAMAQGLANZMPD-SSDOTTSWSA-N 304.266 -0.366 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H](CCO)[C@@H](CO)C1 1620676835 FAPNMUKFHIOQKA-VXGBXAGGSA-N 311.338 -0.321 5 10 DBBE CN(CCNC(=O)c1cn(C)ccc1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704232380 JCGAUITZVNBOOF-MWLCHTKSSA-N 322.321 -0.761 5 10 DBBE CN(CCNCCCS(C)(=O)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1731911510 MRXZVDFETMYPSK-NXEZZACHSA-N 307.372 -0.866 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1cccc([N+](=O)[O-])c1Cl 2157549473 ZSLNOFIYCPAGQY-UHFFFAOYSA-N 322.730 -0.229 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CC2(C1)OC[C@@H](O)[C@@H]2O 2183638604 QIXXJGPTHCREJA-VDTYLAMSSA-N 302.674 -0.651 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC(CO)CO 2184374343 FWPFOUDUFRQUQC-UHFFFAOYSA-N 304.324 -0.136 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1COC[C@@H]1O 323131212 RMARJWVMLCYNLH-WPRPVWTQSA-N 302.308 -0.059 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N[C@H]2COC[C@@H]2O)c1 323508713 PYFCSHYVZHWWLN-IUCAKERBSA-N 306.271 -0.228 5 10 DBBE O=C(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)NCCO 362914803 ZKOKFAACINSDBL-UHFFFAOYSA-N 317.248 -0.360 5 10 DBBE CN(C)C[C@@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593566772 OJSGRCVQAKPUFQ-NSHDSACASA-N 318.355 -0.419 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)nc1 599391561 KRFVFHUWGHLHSF-VHSXEESVSA-N 317.323 -0.192 5 10 DBBE C[C@@H](CS(=O)(=O)N(C)C)OC(=O)c1nn(C)cc1[N+](=O)[O-] 861148727 GDWSQBIHXWBGGC-ZETCQYMHSA-N 320.327 -0.235 5 10 DBBE C[C@H]1C(=O)N(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C(=O)N1C 1148187953 UEOHQGBEFCMBGP-XVKPBYJWSA-N 322.277 -0.058 5 10 DBBE CN1CCC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1343180069 BJCRUVTZUGCONN-SNVBAGLBSA-N 324.341 -0.882 5 10 DBBE CCn1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1350009371 LEEMBOQGTXLUCU-PSASIEDQSA-N 310.314 -0.801 5 10 DBBE Cn1nncc1CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1567441171 VBJZGNHTEDGIMJ-VXGBXAGGSA-N 308.342 -0.439 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnc2n1CCOC2 1690940211 SBQCHPIGGLIMIO-NXEZZACHSA-N 324.341 -0.979 5 10 DBBE Cn1c(C(=O)N2CCS(=O)(=O)CCN2)ccc1[N+](=O)[O-] 2146659721 BONXJCPLSQYUIN-UHFFFAOYSA-N 302.312 -0.692 5 10 DBBE CCN=c1nc(N(C)C2CS(=O)(=O)C2)c([N+](=O)[O-])c[nH]1 2152234823 YZOVWCJONPLNRL-UHFFFAOYSA-N 301.328 -0.528 5 10 DBBE Cc1nnc(Cn2nc([N+](=O)[O-])c(S(N)(=O)=O)c2C)s1 2156816296 LBIQZPZDGTVKJS-UHFFFAOYSA-N 318.340 -0.045 5 10 DBBE CN=c1[nH]c(N2CCS(=O)(=O)C[C@H]2C)ncc1[N+](=O)[O-] 2157681948 KSPCNIOADPPUBE-SSDOTTSWSA-N 301.328 -0.528 5 10 DBBE Nc1c([N+](=O)[O-])ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)c1F 2177844739 GLMLFEJRKIPYPT-SVRRBLITSA-N 305.287 -0.114 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(NCCS(=O)(=O)CCO)[nH]1 2360990336 VIAPIQDISVWRRV-UHFFFAOYSA-N 304.328 -0.728 5 10 DBBE CN([C@@H]1CNC[C@H]1O)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 36266853 ZXNFUNJYOWKMQM-VXGBXAGGSA-N 315.351 -0.311 5 10 DBBE CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C(N)=O)c1 50656808 YPWQQLAZWQTQSY-LURJTMIESA-N 302.312 -0.211 5 10 DBBE Cc1nn(C[C@H](O)CNCCOCCO)c(C)c1[N+](=O)[O-] 69369841 RFEMSRZMQZGGND-LLVKDONJSA-N 302.331 -0.632 5 10 DBBE C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1 173828970 CUTCOEIDJSPATN-DGCLKSJQSA-N 323.353 -0.030 5 10 DBBE COC(=O)[C@@H](O)CNC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 227044311 RLCAJXAYDIIXBZ-LURJTMIESA-N 303.658 -0.093 5 10 DBBE C[C@H]1CS(=O)(=O)CCN1c1nc(NN)ncc1[N+](=O)[O-] 235597725 QFTSFKBOVUAICD-LURJTMIESA-N 302.316 -0.706 5 10 DBBE Nc1cc(S(=O)(=O)N[C@H]2COC[C@H]2O)ccc1[N+](=O)[O-] 323434840 RHVYIQYZZIBIEK-WCBMZHEXSA-N 303.296 -0.785 5 10 DBBE C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CCN1CCO 428531466 KPWCEYPAXGRCSJ-VIFPVBQESA-N 309.326 -0.289 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)N1 599096944 CEQVLGMUJQLIPW-YUMQZZPRSA-N 303.344 -0.301 5 10 DBBE CCN1CC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 619798294 MRIVBKAQIOFRTK-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE CS(=O)(=O)NC1CN(c2ncnc(Cl)c2[N+](=O)[O-])C1 703181679 CFYZFHJENTZPBK-UHFFFAOYSA-N 307.719 -0.224 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCn3ccnc32)n1 859172368 FQYGYGDGIOGOHL-SSDOTTSWSA-N 312.311 -0.052 5 10 DBBE O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc(C(F)F)[nH]n1 1292718366 OVQMNEGPSPAOJP-SVGQVSJJSA-N 317.252 -0.142 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(CC(N)=O)C(=O)C2)n1 1299186021 LMGFNLBDONPGEG-UHFFFAOYSA-N 321.293 -0.932 5 10 DBBE CNC(=O)NC[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cn1 1455075919 CLROCPWFGBHGAR-SNVBAGLBSA-N 323.309 -0.240 5 10 DBBE CNC(=O)CC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1572586126 IPMHWSHMQHAWNF-GHMZBOCLSA-N 324.337 -0.937 5 10 DBBE Cc1nc(C)c(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 1575822390 NDAPRNYMCFSPHK-NXEZZACHSA-N 309.326 -0.072 5 10 DBBE COC[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC 1597547607 PKRKUFZQUKPCKH-GHMZBOCLSA-N 312.278 -0.068 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1=COCCO1 1705253921 NIHCWMFSZOZXPK-RKDXNWHRSA-N 311.294 -0.695 5 10 DBBE CC(C)=CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1737337129 NNIIFUMAKGITHK-CHWSQXEVSA-N 324.381 -0.122 5 10 DBBE CN=c1nc(N2CC(S(C)(=O)=O)C2)c([N+](=O)[O-])c(C)[nH]1 2152328248 HFZHAPDJZWWRLW-UHFFFAOYSA-N 301.328 -0.610 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COC[C@H]2O)cc1 2154108968 NRPZFMKOYKBSKB-LDYMZIIASA-N 302.308 -0.120 5 10 DBBE CS(=O)(=O)[C@H]1CSCCN1c1ncc([N+](=O)[O-])c(=N)[nH]1 2157640256 PWWBDQLCJPWDAE-ZETCQYMHSA-N 319.368 -0.279 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)NC2(CO)COC2)cc1 2189263957 JHFKZUWZUJXWRC-UHFFFAOYSA-N 302.308 -0.225 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1Nc1ccnc(O)c1[N+](=O)[O-] 2207460334 KDYITWPMVGGPOJ-SFYZADRCSA-N 303.296 -0.081 5 10 DBBE CCc1nn(C)c(NCC2(O)CS(=O)(=O)C2)c1[N+](=O)[O-] 2283073487 DMJUQAPDYURUJB-UHFFFAOYSA-N 304.328 -0.538 5 10 DBBE O=C(NCCS(=O)(=O)CCO)c1ccccc1[N+](=O)[O-] 2360910886 RINPDKGBRARHTF-UHFFFAOYSA-N 302.308 -0.268 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1COC[C@@H]1O 323116902 JNVSSDQKKGHBLS-UWVGGRQHSA-N 302.308 -0.059 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(CN)CCCC2)n1 599096941 CCXIVUULHWSKSS-UHFFFAOYSA-N 303.344 -0.122 5 10 DBBE CN(C)C[C@@H](CO)NS(=O)(=O)c1cncc([N+](=O)[O-])c1 716778435 KHAOYAATARMZGW-QMMMGPOBSA-N 304.328 -0.809 5 10 DBBE Cc1nc(NN)nc(N2CCS[C@@H](CO)C2)c1[N+](=O)[O-] 719971326 AGVJEMVFIUOUKX-SSDOTTSWSA-N 300.344 -0.107 5 10 DBBE COC(=O)[C@@H]1[C@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@H]21 1327885668 FKDDQBCIJDXAOH-WOFXILAISA-N 321.289 -0.366 5 10 DBBE CCN1CCN(C2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 1350717736 RXPYUAJXKZQRFQ-UHFFFAOYSA-N 322.369 -0.360 5 10 DBBE CC(C)(CCC(=O)N1CCS(=O)(=O)C[C@H]1CCO)[N+](=O)[O-] 1471971719 CMEVZWBWYLZKPJ-SNVBAGLBSA-N 322.383 -0.170 5 10 DBBE CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCN2CCO[C@H]1C2 1534004148 UDFFLRGIZPTDKX-QWRGUYRKSA-N 309.326 -0.277 5 10 DBBE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1586520783 JCMKDYDQOYNMDD-YUMQZZPRSA-N 316.339 -0.024 5 10 DBBE COC(=O)[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CCO1 1627046921 ABMSRLMARWCWBH-VIFPVBQESA-N 310.266 -0.414 5 10 DBBE CCS(=O)(=O)N1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 1660440238 BEVVDUIMVIKMLY-UHFFFAOYSA-N 317.371 -0.204 5 10 DBBE Nc1cc(N[C@H]2CS(=O)(=O)C[C@H]2O)c(F)cc1[N+](=O)[O-] 2183885162 KGLCLMXDSLPRIG-WCBMZHEXSA-N 305.287 -0.114 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H](F)[C@@H]2CCOC2)nc1[N+](=O)[O-] 2238307003 OVHKAQRBNKMHJL-RNFRBKRXSA-N 308.291 -0.187 5 10 DBBE Nc1ccc(S(=O)(=O)NC[C@H]2COCCO2)cc1[N+](=O)[O-] 38063218 WDXMESGGSQFCAS-QMMMGPOBSA-N 317.323 -0.129 5 10 DBBE CCCn1cc([N+](=O)[O-])c(=O)n(C[C@](C)(O)C(=O)O)c1=O 80208965 SSOZQUVWLNNOHY-NSHDSACASA-N 301.255 -0.836 5 10 DBBE C[C@@H]1C(=O)NCCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 191500673 VGJIDYALBKEYGA-SECBINFHSA-N 310.314 -0.289 5 10 DBBE COCC[C@@H](CO)NS(=O)(=O)c1cncc([N+](=O)[O-])c1 312818501 SNDIXJRKVQZNGU-QMMMGPOBSA-N 305.312 -0.335 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@]1(OCCO)CCOC1 597996930 RNFJMDCJANZHEK-LBPRGKRZSA-N 314.298 -0.925 5 10 DBBE O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCOCC1 619871009 BZSZQYCZUMHKDU-CYBMUJFWSA-N 323.349 -0.053 5 10 DBBE CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cn1cnnn1 1317564933 MIMQRZHJLQTBMA-UHFFFAOYSA-N 319.325 -0.171 5 10 DBBE COCC1(S(=O)(=O)NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1323961351 IOVQPMUMMXWPOG-UHFFFAOYSA-N 318.311 -0.433 5 10 DBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCn1cnnc1 1449827141 UDVWQJASQODCMB-UHFFFAOYSA-N 318.293 -0.268 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nc(C2CC2)nn1C 1492249398 DLZZNYZVDCIKPL-GHMZBOCLSA-N 322.369 -0.094 5 10 DBBE Cc1cc(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 1506048950 HVUBWTROEAMTJL-GHMZBOCLSA-N 321.337 -0.309 5 10 DBBE CN1CCC(NC(=O)Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 1559418163 YHFKNUZQTWCOIZ-UHFFFAOYSA-N 312.286 -0.090 5 10 DBBE O=C(NCCS(=O)(=O)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] 1584262074 OYMYXNFULPRABP-UHFFFAOYSA-N 316.217 -0.018 5 10 DBBE COC(COCCNC(=O)c1c([N+](=O)[O-])cnn1C)OC 1625379486 JDBAIBUWCFWCFS-UHFFFAOYSA-N 302.287 -0.306 5 10 DBBE CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1630803062 CHAMSICBJNOWFN-ZJUUUORDSA-N 322.321 -0.213 5 10 DBBE CNC(=O)N[C@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 1650932267 OYXZPRHHCTZCEF-QMMMGPOBSA-N 310.314 -0.220 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCO[C@H](CS(C)(=O)=O)C1 1651468131 CBNLZMJGHCBECO-QMMMGPOBSA-N 304.328 -0.422 5 10 DBBE CNC(=O)CN(CCOc1ccccc1[N+](=O)[O-])CC(=O)NC 1655505904 VHXLWCQCPXKAFE-UHFFFAOYSA-N 324.337 -0.232 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnnn1C 1758494277 DHCFYBGFKCGJKU-NXEZZACHSA-N 324.341 -0.551 5 10 DBBE CNC(=O)[C@H](C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1 1867348274 PDGSXJCYWNADTN-QMMMGPOBSA-N 308.294 -0.425 5 10 DBBE NS(=O)(=O)c1cn(CC(=O)N2CCCC2)nc1[N+](=O)[O-] 2156812136 CHIFAEPFIWIQJI-UHFFFAOYSA-N 303.300 -0.939 5 10 DBBE COC(=O)Cn1nnnc1Sc1nc([N+](=O)[O-])nn1C 2159178350 JIFFDKLICDWAPG-UHFFFAOYSA-N 300.260 -0.966 5 10 DBBE C[S@@](=O)C1CN(S(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])C1 2171956966 MUNPUVIIAJTQPV-LJQANCHMSA-N 319.364 -0.072 5 10 DBBE Nc1ccc(S(=O)(=O)NCC[C@@H](O)CO)cc1[N+](=O)[O-] 2182268021 LKRBOMGPXAUVGQ-SSDOTTSWSA-N 305.312 -0.801 5 10 DBBE Cc1cc(S(=O)(=O)N[C@H](CN)CO)cc([N+](=O)[O-])c1F 2182586451 SWXFTOGKINBLDT-SSDOTTSWSA-N 307.303 -0.360 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1N1CC2(C1)OC[C@@H](O)[C@@H]2O 2183637346 LEGWPGSLBWHUAO-APPZFPTMSA-N 301.686 -0.046 5 10 DBBE NS(=O)(=O)CCCN=c1ccn2ncc([N+](=O)[O-])c2[nH]1 2295870041 BJRNGZDIQYDTCH-UHFFFAOYSA-N 300.300 -0.850 5 10 DBBE COC[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)O 158647716 CCPHCCGWALAXOO-MRVPVSSYSA-N 319.295 -0.246 5 10 DBBE NNc1sc(S(=O)(=O)N[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] 229178231 JHYHZGULGZBEQS-SCSAIBSYSA-N 321.340 -0.891 5 10 DBBE O=C(O)[C@H](O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 230097364 GAJSXIUTAFOVPB-SECBINFHSA-N 304.280 -0.291 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2O)c1 800804108 ZEAUHJIXLGLSDF-UWVGGRQHSA-N 321.332 -0.474 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](O)c1cnn(C)c1 1149981788 FLQXSYORZYSVQF-SNVBAGLBSA-N 308.298 -0.317 5 10 DBBE COC(=O)[C@@H]1C[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1154754468 WSUCBNBVQDQVCU-RKDXNWHRSA-N 309.278 -0.318 5 10 DBBE CCOCC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1288366230 TUGJBOXJRPYRBS-VXGBXAGGSA-N 311.338 -0.037 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(C2CCOCC2)CC1 1318889758 ALCYLLDTDAXMCD-UHFFFAOYSA-N 324.341 -0.491 5 10 DBBE Cc1nn(C)cc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1491640526 MYUCJPLXKMZQMK-MWLCHTKSSA-N 309.326 -0.370 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](c2nn[nH]n2)C1 1558080090 ZUCYQGJQCBDPCN-MRVPVSSYSA-N 319.281 -0.714 5 10 DBBE Cn1c(=O)on(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1=O 1615199028 DFOKXCRBAKYIFL-UHFFFAOYSA-N 301.236 -0.715 5 10 DBBE COCC1(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1759957670 NDVRYTJSXRJYGD-GHMZBOCLSA-N 311.338 -0.253 5 10 DBBE C[N+](C)(C)CCOC(=O)CCCN1CCS(=O)(=O)CC1 1848519348 DXAKOHBBBTVDMP-UHFFFAOYSA-N 307.436 -0.254 5 10 DBBE C[C@H](CS(N)(=O)=O)Nc1cnc([N+](=O)[O-])cc1C(=O)O 2152942852 YMBNARVLHDMKNG-RXMQYKEDSA-N 304.284 -0.223 5 10 DBBE O=C(N[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O)c1ccc([N+](=O)[O-])s1 2177877118 MUPZQMKSLFXEPP-ZHYWTAKUSA-N 302.308 -0.511 5 10 DBBE Nc1cc(O[C@@H]2CS(=O)(=O)C[C@@H]2N)c(F)cc1[N+](=O)[O-] 2184669846 UTKZOEYTVPKKHB-OIBJUYFYSA-N 305.287 -0.181 5 10 DBBE CN(NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-])S(C)(=O)=O 2365286338 IOCJAEAFIILVER-UHFFFAOYSA-N 324.340 -0.738 5 10 DBBE CNC(=O)c1ccc([N+](=O)[O-])c(NCCS(N)(=O)=O)c1 212180781 UYTKZDQHBNVPEY-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE COCCN(CC(=O)OC)C(=O)c1nn(C)cc1[N+](=O)[O-] 270848658 XLAXDDBHNREMHY-UHFFFAOYSA-N 300.271 -0.410 5 10 DBBE CC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)[S@@]1=O 342265688 NWZRRNVOGGGVST-FQJNGZCASA-N 315.355 -0.056 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](O)C2)s1 576173284 LCWZZHUISSNZLV-BQBZGAKWSA-N 308.337 -0.370 5 10 DBBE O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@@H](O)C[C@@H](O)C1 612085403 GWXDAQLWVHFIJK-TUAOUCFPSA-N 312.322 -0.238 5 10 DBBE CN([C@@H]1COC[C@@H]1O)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 709288303 CVQQWZGBRMUTBF-BDAKNGLRSA-N 303.296 -0.630 5 10 DBBE CO[C@H](C)CCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 861326447 JSXMLHYJILOAAL-SSDOTTSWSA-N 320.327 -0.052 5 10 DBBE Cc1nn(C)c(C(=O)OCC(=O)c2cn(C)nn2)c1[N+](=O)[O-] 1118296646 SSNUUAZRLYTVJV-UHFFFAOYSA-N 308.254 -0.195 5 10 DBBE Cn1ccc(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1285924013 QYIVMWUJRQZGDC-GHMZBOCLSA-N 321.337 -0.607 5 10 DBBE C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC(=O)N1C 1321246598 GNNVFBNGRLLEPR-SECBINFHSA-N 308.294 -0.554 5 10 DBBE CCCN(C)CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1494475000 DPPRMQHGZBUGAL-DIACKHNESA-N 324.381 -0.434 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cn1)N1CCS(=O)(=O)CCO1 1586542491 SEJJMAMOKDVBEX-UHFFFAOYSA-N 301.280 -0.208 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCC1(S(C)(=O)=O)CC1 1618831783 XRTQPJUYNGEOQO-UHFFFAOYSA-N 302.312 -0.365 5 10 DBBE CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCN2CCO[C@H]1C2 1636268652 KRPFDTAIYFLZBO-KOLCDFICSA-N 309.326 -0.127 5 10 DBBE CNS(=O)(=O)[C@H]1CCCN(c2nn(C)cc2[N+](=O)[O-])C1 1642258689 POQCECAZGSJTPC-QMMMGPOBSA-N 303.344 -0.154 5 10 DBBE COC(=O)C1(O)CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 1644206601 PEPKZUCQSOWECO-SNVBAGLBSA-N 310.262 -0.626 5 10 DBBE CNC(=O)NCC(=O)NC1CN(Cc2cccc([N+](=O)[O-])c2)C1 1665144010 IIXGOCMMSZWDFB-UHFFFAOYSA-N 321.337 -0.176 5 10 DBBE CCN(CCNC(=O)c1cnsn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688388870 TYYWOYGTUWAWQW-VXNVDRBHSA-N 313.339 -0.218 5 10 DBBE CN(CCCNC(=O)Cn1ccnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737164765 XJDPGWXCRKZSES-GHMZBOCLSA-N 309.326 -0.487 5 10 DBBE O=C(NCC(O)(CO)CO)c1c(Cl)cccc1[N+](=O)[O-] 1913800940 VKRGNKDJJNWGGF-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CONC1=O 2148983101 XTAHUNBPZVFIIO-QMMMGPOBSA-N 301.280 -0.388 5 10 DBBE C[C@H](CS(=O)(=O)N(C)C)NCc1nn(C)cc1[N+](=O)[O-] 2159117594 XOPGODSJKXFLNW-MRVPVSSYSA-N 305.360 -0.302 5 10 DBBE Cc1nc([N+](=O)[O-])c(N[C@@H]2CNC[C@H]2S(C)(=O)=O)n1C 2192681292 UGJHCZSUOUMIIB-HTQZYQBOSA-N 303.344 -0.566 5 10 DBBE NS(=O)(=O)NCCNc1cc2c(cc1[N+](=O)[O-])COC2 2287442299 RERMHAAQHMGLSO-UHFFFAOYSA-N 302.312 -0.170 5 10 DBBE CCCNC(=O)CNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50657840 SMDSHGZFWRCYOZ-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE Cn1ccc(NC(=O)CNC(=O)c2cc([N+](=O)[O-])cn2C)n1 591715179 AXSINQKNKFAYGI-UHFFFAOYSA-N 306.282 0.035 5 10 DBBE CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593566759 OJSGRCVQAKPUFQ-LLVKDONJSA-N 318.355 -0.419 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1c([N+](=O)[O-])nc(C)n1C 697268660 BLNXDLDYNUQYHU-HTQZYQBOSA-N 304.328 -0.139 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 800804107 ZEAUHJIXLGLSDF-NXEZZACHSA-N 321.332 -0.474 5 10 DBBE CN1CCN(C)[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 1146376787 MLYGGBAHXBVSGX-KGLIPLIRSA-N 322.365 -0.010 5 10 DBBE CCN(CC)CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1299357607 HOHNEEKQMKWUGY-VXGBXAGGSA-N 312.370 -0.337 5 10 DBBE Cn1cnnc1[C@@H](CO)NC(=O)CNc1ccccc1[N+](=O)[O-] 1301184056 XOXBNJBGVQNIBD-SNVBAGLBSA-N 320.309 -0.015 5 10 DBBE CCc1nn(C)cc1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1355592571 ZPLSBBACODTYSW-BXKDBHETSA-N 323.353 -0.164 5 10 DBBE CN1CCN(C)[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1443897683 OBKWSFLKLVZCOW-NSHDSACASA-N 323.353 -0.882 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCN(CC(N)=O)CC1 1543055161 HVDDLNSLYSHELN-UHFFFAOYSA-N 324.341 -0.881 5 10 DBBE COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCOC1 1558830998 PJWRVZGPBPZZLF-JGVFFNPUSA-N 312.282 -0.127 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NCC1CC1 1667566105 NJSMWWZIWGUREF-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cccc(O)n1 1747769047 LTACQNSPADZUOT-PSASIEDQSA-N 320.305 -0.169 5 10 DBBE CN1C[C@H](O)[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 2146515899 SCAPMQDHYYWDFT-QWRGUYRKSA-N 301.324 -0.452 5 10 DBBE NNc1cccc(S(=O)(=O)NC[C@@H]2CCO2)c1[N+](=O)[O-] 2189564996 VDLFQGDICQBHOO-ZETCQYMHSA-N 302.312 -0.052 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]2[C@H](O)CO)c1 2286213309 REFJEAOCEHUMKP-WDEREUQCSA-N 302.308 -0.289 5 10 DBBE CS(=O)(=O)C[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 2360522351 LAQPNSRBADQCQQ-JTQLQIEISA-N 301.324 -0.417 5 10 DBBE CCCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593526588 VSIDPLPTMOMHQB-UHFFFAOYSA-N 302.312 -0.206 5 10 DBBE COC[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599241207 OAJFGRLDARSFEB-QMMMGPOBSA-N 304.328 -0.015 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(c2nc(N)ncc2[N+](=O)[O-])C1 703162953 NZVLPZXJZYJZLH-LURJTMIESA-N 302.316 -0.905 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CN(C2CC2)C(=O)O1 847265411 BLGBBALSZZMJIC-JTQLQIEISA-N 309.282 -0.109 5 10 DBBE Cn1cc(CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c([N+](=O)[O-])n1 1307994328 NOGBKFLJDVDBKH-CHWSQXEVSA-N 307.310 -0.187 5 10 DBBE CN(C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1573153711 XRXKPPJOMOIYKO-WRWGMCAJSA-N 312.370 -0.386 5 10 DBBE CCOC(=O)[C@H](CO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1596547783 XVDLSRNLVGNSOH-QWRGUYRKSA-N 312.278 -0.332 5 10 DBBE O=C1NC(=O)N2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@@H]12 1612190430 YVHXNTKJYHCNQL-NSHDSACASA-N 324.268 -0.033 5 10 DBBE CCc1nn(C)c(N2CCN(CC(N)=O)C(=O)C2)c1[N+](=O)[O-] 1612468558 LOBGKLPQHKISKC-UHFFFAOYSA-N 310.314 -0.975 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NCc1ccco1 1713451158 DEGZADGVGYHFBU-VXGBXAGGSA-N 324.337 -0.391 5 10 DBBE Cn1c(C(=O)NC2CN(C3CCOCC3)C2)cnc1[N+](=O)[O-] 1889705351 HTNPVAYSKNIPLO-UHFFFAOYSA-N 309.326 -0.079 5 10 DBBE N[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2149986000 FBOZZEKJWYAKAE-JGVFFNPUSA-N 305.287 -0.262 5 10 DBBE N[C@@H]1COC[C@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2149988270 NCKYEQGXSMPTGF-HTQZYQBOSA-N 305.287 -0.262 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCNNCC1 2152175040 DLXYBNSQFKRDQE-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE N[C@H]1C[C@H](O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2168120373 RCOHXIIUDYTGQJ-YUMQZZPRSA-N 302.312 -0.928 5 10 DBBE O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC2(CNS(=O)(=O)C2)C1 2176117763 MKGDKEBOBPNQRP-UHFFFAOYSA-N 300.296 -0.702 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)CC2CC(N)C2)n1 2240642068 IPTNFMVZUUFOHV-UHFFFAOYSA-N 303.344 -0.515 5 10 DBBE O=[N+]([O-])c1cncc(Cl)c1N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289495417 UIVLBLCJGYWXGF-OUAIYISWSA-N 303.702 -0.207 5 10 DBBE NC(=O)c1cn(C2CN(C(=O)c3ccccc3[N+](=O)[O-])C2)nn1 354694837 AWSQLKMJTPCKBQ-UHFFFAOYSA-N 316.277 -0.018 5 10 DBBE Cn1cc(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cn1 599218072 DZFAMYMGWIGOOO-UHFFFAOYSA-N 314.327 -0.417 5 10 DBBE C[C@@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[S@@](C)=O 599261679 WWHPDQRYDAADGK-ZDVLTJLQSA-N 324.384 -0.236 5 10 DBBE CS(=O)(=O)NC1CN(Cc2cc([N+](=O)[O-])ccc2N)C1 703180589 YSOBVEXJRBFYFY-UHFFFAOYSA-N 300.340 -0.090 5 10 DBBE NC(=O)c1ccnc(N2CC[C@@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] 1117688528 WMNLDVAPAKXIAV-CYBMUJFWSA-N 305.294 -0.195 5 10 DBBE Cn1cnnc1[C@H](CO)NC(=O)COc1cccc([N+](=O)[O-])c1 1148313885 FEAKPAVNPWHPFZ-NSHDSACASA-N 321.293 -0.048 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2nn[nH]n2)C1 1175698233 NADUJGOLLXBBFS-SECBINFHSA-N 305.298 -0.241 5 10 DBBE Cn1ccnc1[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1320198599 WTHRBWGGURFYGW-VIFPVBQESA-N 305.298 -0.064 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CCN(C)CC1 1348075700 NTZXVSZTRBTKFI-UHFFFAOYSA-N 321.337 -0.198 5 10 DBBE CCN(CCNC(=O)c1csnn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1528972360 HBNHHELRDNFUNX-VXNVDRBHSA-N 313.339 -0.218 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](CO)[C@@H]1CCOC1 1624226467 RKXAFWGHNJZONT-KOLCDFICSA-N 311.294 -0.730 5 10 DBBE NC(=O)CC1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1638347614 HUKBWQCDRWSPNX-UHFFFAOYSA-N 308.294 -0.472 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1N 2179201473 IITFXJYDVVMJTP-PSASIEDQSA-N 301.324 -0.059 5 10 DBBE CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN)COC1 2189273731 ZRIQHQHEGFNMAF-UHFFFAOYSA-N 302.312 -0.052 5 10 DBBE O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@](O)(CO)[C@@H](O)C1 2234107374 QRHNDPLHSHYPIV-GXSJLCMTSA-N 303.702 -0.062 5 10 DBBE Cc1cc(=NCCS(=O)(=O)CCO)c([N+](=O)[O-])c(C)[nH]1 2360988912 YVOZQRNIRYSSNR-UHFFFAOYSA-N 303.340 -0.152 5 10 DBBE C[C@H](CO)N(C)S(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 122572523 JGVBUUMFULFTDK-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE O=C(NC1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1)C1CC1 187632538 KTQTWRIJRJKQNJ-UHFFFAOYSA-N 322.325 -0.289 5 10 DBBE O=[N+]([O-])c1cc(Br)cnc1NC(CO)(CO)CO 236504467 FXQOCOLJBHJYBA-UHFFFAOYSA-N 322.115 -0.120 5 10 DBBE Nc1ncc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1[N+](=O)[O-] 1149635573 RBKRXHPYOQDDCF-QMMMGPOBSA-N 307.266 -0.151 5 10 DBBE O=c1c2c(ncn1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCOC2 1261503494 BVMVBKSTVZSFTI-SNVBAGLBSA-N 321.293 -0.518 5 10 DBBE Cc1nnccc1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357215722 DPZCTMJVJRIMBQ-VXGBXAGGSA-N 321.337 -0.019 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H](CO)CC(F)F 1625061628 LYOMTXAORSLYPV-SSDOTTSWSA-N 305.237 -0.111 5 10 DBBE Cc1ccc(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc1[N+](=O)[O-] 1642929944 ZTMPAHPCSJBFMC-MGPQQGTHSA-N 322.317 -0.068 5 10 DBBE CNC(=O)NC[C@H]1COCCN1Cc1cn(C)nc1[N+](=O)[O-] 1655406330 JTEAKRUXCJUWAN-JTQLQIEISA-N 312.330 -0.542 5 10 DBBE CN(CCN(C)C(=O)CC(N)=O)Cc1c([N+](=O)[O-])ncn1C 1715778181 FQIRDTOLYOCBBR-UHFFFAOYSA-N 312.330 -0.906 5 10 DBBE CN1CCC[C@@H]1CCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156823089 GUWKSUOFKCVKIZ-MRVPVSSYSA-N 303.344 -0.077 5 10 DBBE O=[N+]([O-])c1cnc(N2CCCN(C[C@H](O)CO)CC2)s1 2178026768 AAKIFCWSCBIPJT-VIFPVBQESA-N 302.356 -0.083 5 10 DBBE C[S@](=O)CC1(C)CN(c2ncnc(NN)c2[N+](=O)[O-])C1 2186341392 TUQYZEPDQNFWHT-FQEVSTJZSA-N 300.344 -0.125 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@]2(CO)CCNC2)cc1 2190274059 QHLKJOQEGXKPLQ-NSHDSACASA-N 301.324 -0.403 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=N[C@H]2C=CS(=O)(=O)C2)[nH]1 2286725818 FGZGSJCPXNDROM-ZETCQYMHSA-N 300.296 -0.324 5 10 DBBE CN(CC1(O)CNC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 2287329741 CAVHIOMYZVBKDE-UHFFFAOYSA-N 301.324 -0.450 5 10 DBBE CNC(=O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 31074751 UKFGDSGZTXUWEB-UHFFFAOYSA-N 317.323 -0.030 5 10 DBBE C[C@](O)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 90287693 YPHHGQWGUUOGCG-SNVBAGLBSA-N 308.287 -0.245 5 10 DBBE NS(=O)(=O)c1cc(C(=O)N[C@H]2CCOC2)cc([N+](=O)[O-])c1 131932593 JSTLUYJHRHECHP-QMMMGPOBSA-N 315.307 -0.239 5 10 DBBE COC[C@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 132376593 BMDVRABZZPGJPR-MRVPVSSYSA-N 319.339 -0.195 5 10 DBBE O=C1NC(=O)[C@]2(CCCN(CCn3ccc([N+](=O)[O-])n3)C2)N1 192679106 JHLURLLEXXANAL-GFCCVEGCSA-N 308.298 -0.535 5 10 DBBE CO[C@H]1C[C@@H](C(=O)O)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 262200162 VWHNYNNPMWSZEF-IUCAKERBSA-N 312.282 -0.200 5 10 DBBE NS(=O)(=O)c1ccc(N2CCNC(=O)CC2)c([N+](=O)[O-])c1 280499388 ITNHIUMRADGKTD-UHFFFAOYSA-N 314.323 -0.432 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H](O)Cc1ccccc1 345627242 AMDGJTGUMGKDSM-NSHDSACASA-N 305.294 -0.094 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)N(C)C 359780235 AIKCWBOFNGHIAN-UHFFFAOYSA-N 316.339 -0.081 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CNCCC1(F)F 567900023 HMLPKKDTBBGYHD-VIFPVBQESA-N 316.264 -0.130 5 10 DBBE O=C(NS(=O)(=O)c1cnn(CC2CC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] 842339325 CGEBRPJKEVMKLS-NXEZZACHSA-N 314.323 -0.237 5 10 DBBE CS(=O)(=O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 849370809 LHNBYSZYANGBDL-UHFFFAOYSA-N 309.325 -0.687 5 10 DBBE COC(=O)[C@@](C)(CCF)NC(=O)Cn1cnc([N+](=O)[O-])n1 1331279758 IMYZNJKWXVLURJ-SNVBAGLBSA-N 303.250 -0.406 5 10 DBBE Cn1cnnc1N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1346493270 ZABUHZPJNIYWTO-UHFFFAOYSA-N 306.286 -0.591 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnns1 1357171618 VERTZALZRYLREJ-HTQZYQBOSA-N 313.339 -0.266 5 10 DBBE COC1(C(=O)Nc2c([N+](=O)[O-])cnn2C)CS(=O)(=O)C1 1537904158 ZTISFGXJXLKJOX-UHFFFAOYSA-N 304.284 -0.920 5 10 DBBE C[S@@](=N)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 1594849749 XRCVFASTZYCRCV-FQEVSTJZSA-N 302.316 -0.333 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)n1 1637648652 VPEZXKAZFGCOGQ-ZJUUUORDSA-N 312.326 -0.126 5 10 DBBE COC1(OC)CCOC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] 1641889278 MRWOTSDDFPDFEX-MRVPVSSYSA-N 300.271 -0.174 5 10 DBBE CCn1nncc1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1743456766 SZWTZNHSDYPGAE-NXEZZACHSA-N 324.341 -0.459 5 10 DBBE C[C@H]1CN(c2nc(N3CC(O)C3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 1871315718 RRALVHBQZHEIPY-YUMQZZPRSA-N 324.341 -0.239 5 10 DBBE CS(=O)(=O)N1CC(Nc2cccc(NN)c2[N+](=O)[O-])C1 2145431947 LGXLAAJNRMKGPS-UHFFFAOYSA-N 301.328 -0.064 5 10 DBBE CCCCNC(=O)Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156805226 DBMNDLAADBCZGU-UHFFFAOYSA-N 305.316 -0.645 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)[C@H](N)CO1 2165824888 JGFMTRNOOKEGOC-XVKPBYJWSA-N 302.312 -0.316 5 10 DBBE NCC(CO)(CO)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 2280455651 UDBXNYSZUAMAKY-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE C[C@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 132187640 BRJYKXXLYZSZNS-QMMMGPOBSA-N 321.330 -0.017 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](N)C(=O)O 323282916 JGOVBMSTFLPPMW-QMMMGPOBSA-N 303.296 -0.407 5 10 DBBE Nc1cc(S(=O)(=O)N[C@H]2COC[C@@H]2O)ccc1[N+](=O)[O-] 323434841 RHVYIQYZZIBIEK-WPRPVWTQSA-N 303.296 -0.785 5 10 DBBE CC1(C(N)=O)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 579477891 OVCLRNFNGMQMLE-UHFFFAOYSA-N 320.305 -0.342 5 10 DBBE CNc1nccc(C(=O)NCCCc2ncn(C)n2)c1[N+](=O)[O-] 594373477 CXGSMCJZFSHGCU-UHFFFAOYSA-N 319.325 0.523 5 10 DBBE CCN1CC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594782333 XAHHSYKYBMUEIH-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE CN(C)CCCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 597989913 NDVDNGNYZUBURH-UHFFFAOYSA-N 312.374 -0.209 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)n1 599390970 HGEJAZVOXRRYTG-RKDXNWHRSA-N 320.327 -0.854 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@@H]2CNC[C@@H]2O)cc1[N+](=O)[O-] 699963832 XLGSQYMIRDXRFT-KOLCDFICSA-N 301.324 -0.486 5 10 DBBE NCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)COC1 705640305 CAKHKZWIMAIORV-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE C[C@@H](O)C1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)C1 719735701 HQJZKGJLYBBEAR-RXMQYKEDSA-N 322.368 -0.057 5 10 DBBE CN(CC(C)(C)S(C)(=O)=O)C(=O)Cn1cnc([N+](=O)[O-])n1 1329892343 QWNUOBYIBLNARK-UHFFFAOYSA-N 319.343 -0.532 5 10 DBBE Cc1ccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1350010305 WWBKHZAPIAIQMA-MWLCHTKSSA-N 307.310 -0.314 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)[C@@H]1[C@H]2COC[C@H]21 1351466522 NGSPSZIGUVIFJO-ZIQFBCGOSA-N 311.338 -0.491 5 10 DBBE O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@H]2C1 1445170892 BILOONKBGAHTJO-RYUDHWBXSA-N 320.305 -0.136 5 10 DBBE O=C1COc2ccc([N+](=O)[O-])cc2N1CC(=O)N1CC[C@@H]1CO 1538642421 XPJKQQNJBZXLHO-SNVBAGLBSA-N 321.289 -0.087 5 10 DBBE CC[C@@H]1C(=O)NCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 1560166580 KSTOQSBYZMKAFU-NWDGAFQWSA-N 311.342 -0.247 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 1618165397 JREFOECMIMUDMB-QMMMGPOBSA-N 316.339 -0.316 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](CO)[C@H]2CO)c1 1620463927 ZDYWAJIQEDRGDR-CYZMBNFOSA-N 314.342 -0.783 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 1629720858 KQYCBHGMPMAXAD-UHFFFAOYSA-N 303.271 -0.153 5 10 DBBE COc1c(C(=O)NC[C@H](O)Cn2ccnn2)cccc1[N+](=O)[O-] 1637560271 WJGMLYBNLUUOQC-VIFPVBQESA-N 321.293 -0.014 5 10 DBBE O=C(c1nccnc1N1CCOCC1)N1CCN=C1C[N+](=O)[O-] 1851596938 XBEZFMYQAVMLIH-UHFFFAOYSA-N 320.309 -0.556 5 10 DBBE NS(=O)(=O)c1cn(C[C@H]2CC(F)(F)CO2)nc1[N+](=O)[O-] 2144780387 HZIFVLOSEBLTLN-RXMQYKEDSA-N 312.254 -0.137 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2N)cc1[N+](=O)[O-] 2149986873 HWXHXVNWJOWKCQ-VHSXEESVSA-N 301.324 -0.092 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 2192677153 MZZIDVYQINOYTJ-HTQZYQBOSA-N 319.364 -0.229 5 10 DBBE NS(=O)(=O)c1ccc(SC[C@@H](O)CO)c([N+](=O)[O-])c1 93958234 FRIWPPBDRMDVCV-LURJTMIESA-N 308.337 -0.313 5 10 DBBE CNc1ncnc(NCCS(=O)(=O)N(C)C)c1[N+](=O)[O-] 231030500 USAWZWISCCTLCZ-UHFFFAOYSA-N 304.332 -0.270 5 10 DBBE CN(CC(=O)N[C@@H]1CCC(=O)NC1=O)c1ccccc1[N+](=O)[O-] 269570314 NKOCSTHNYHELLG-SECBINFHSA-N 320.305 -0.048 5 10 DBBE C[C@H](Cn1cncn1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599232161 JITWYLHAWNONTJ-SSDOTTSWSA-N 315.315 -0.713 5 10 DBBE C[C@@H](CN(C)S(C)(=O)=O)OC(=O)Cn1cnc([N+](=O)[O-])n1 786617677 PDEBAPTUFPPTQX-ZETCQYMHSA-N 321.315 -0.991 5 10 DBBE CC(=O)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C)C1 1340915712 OKNJALDKWUJHOV-SNVBAGLBSA-N 322.321 -0.164 5 10 DBBE Nc1c(C(=O)N2CCS(=O)(=O)CCO2)cccc1[N+](=O)[O-] 1637664436 PTWZBZBLQJTEBP-UHFFFAOYSA-N 315.307 -0.021 5 10 DBBE CCC[C@@H](O)[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1637665313 CROWFANXYASXJA-GHMZBOCLSA-N 313.310 -0.605 5 10 DBBE C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O 1648473527 KNOZHHGLUXLJKY-SCZZXKLOSA-N 317.371 -0.315 5 10 DBBE O=[N+]([O-])c1ccc(CN2CCN[C@H]3CS(=O)(=O)C[C@@H]32)o1 2143711901 GBCMBEILICJVNG-UWVGGRQHSA-N 301.324 -0.241 5 10 DBBE NCCN(CCO)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2152161473 IQVYXCKDDYOPPU-UHFFFAOYSA-N 307.303 -0.324 5 10 DBBE C[S@](=O)(=NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1 2159071870 VIBSSOQZQDZMMZ-GWNMQOMSSA-N 301.328 -0.222 5 10 DBBE CCCS(=O)(=O)CCN=c1cc([N+](=O)[O-])cc(NN)[nH]1 2204673650 IIPSVVUYZYGVTD-UHFFFAOYSA-N 303.344 -0.066 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1NCCS(=O)(=O)CCO 2360919137 KJGHPYCKEYXYMF-UHFFFAOYSA-N 306.344 -0.061 5 10 DBBE CS(=O)(=O)CCNC(=O)c1cc(NN)c(F)cc1[N+](=O)[O-] 51088051 FPTKMXJWWBDDRB-UHFFFAOYSA-N 320.302 -0.206 5 10 DBBE O=C(O)[C@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 90262680 IHLRNVZHGDBIEW-SSDOTTSWSA-N 308.243 -0.542 5 10 DBBE C[C@](O)(CO)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 90287560 MMKSVQGHKWINBD-SNVBAGLBSA-N 308.287 -0.245 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1N 110675136 GWNSXBKUCMCKRO-ZETCQYMHSA-N 314.323 -0.314 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCn1ccnn1 128087218 WSCKBDIZRBPNDV-UHFFFAOYSA-N 312.311 -0.253 5 10 DBBE Cc1nc(NN)nc(N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 235961530 SPLSEANWMSYNNT-UHFFFAOYSA-N 302.316 -0.786 5 10 DBBE CNS(=O)(=O)NCC(=O)Nc1cccc([N+](=O)[O-])c1C 448570170 SIWSNXJHILLKPL-UHFFFAOYSA-N 302.312 -0.104 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CN)C(C)(C)C)n1 599106403 GJNPTUVAEKFBJG-MRVPVSSYSA-N 305.360 -0.020 5 10 DBBE CN1CCC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 599250683 QVPDGJSGDUARMF-ZETCQYMHSA-N 317.327 -0.773 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCNC1=O 693951936 DGWDHVUGLMZPOD-ZETCQYMHSA-N 300.296 -0.656 5 10 DBBE O=C(O)[C@@H]1C[C@H]1CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 715276808 FCDLPBZSHWLXDZ-IMTBSYHQSA-N 301.280 -0.011 5 10 DBBE CN(C)C[C@@H](O)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 717333790 RUPGHBSYUUAJRL-VIFPVBQESA-N 304.328 -0.809 5 10 DBBE CS(=O)(=O)[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1254910703 PHVBGQJHKUMSPE-QMMMGPOBSA-N 317.327 -0.778 5 10 DBBE CCCN(C)CCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1297047671 TUCKRMYXATVCFR-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE COC(=O)c1ccnc(N2CC(NC3COC3)C2)c1[N+](=O)[O-] 1472886351 ULSYDDNKEMKBDU-UHFFFAOYSA-N 308.294 -0.047 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NCCN2CCNC(=O)C2)n1 1632660992 RMUKBULLCSHGBS-UHFFFAOYSA-N 307.310 -0.540 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCCC1 1667565797 IKTOCFXSNGMODC-VXGBXAGGSA-N 312.370 -0.336 5 10 DBBE CN(CCCNC(=O)c1ncccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703641550 SCQTVAZPEHQWSP-NXEZZACHSA-N 307.310 -0.280 5 10 DBBE CCCCNC(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1716740842 DUNSIYATLDTKDR-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE CNC(=O)[C@@H](C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1 1867348273 PDGSXJCYWNADTN-MRVPVSSYSA-N 308.294 -0.425 5 10 DBBE Cn1nc(-n2nc([N+](=O)[O-])nc2Br)nc1C(=O)O 2052984312 HXPXHKHKBNZHKL-UHFFFAOYSA-N 318.047 -0.235 5 10 DBBE N[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2149985997 FBOZZEKJWYAKAE-HTQZYQBOSA-N 305.287 -0.262 5 10 DBBE Nc1[nH]c(=NCCNS(=O)(=O)C(F)F)ccc1[N+](=O)[O-] 2159558106 IXHPFOLVKNEALK-UHFFFAOYSA-N 311.270 -0.452 5 10 DBBE CS(=O)(=O)CCN(c1ncnc(N)c1[N+](=O)[O-])C1CC1 2170135663 QIQRKWUFSGIMDG-UHFFFAOYSA-N 301.328 -0.020 5 10 DBBE O=[N+]([O-])c1ccc(F)c(CN[C@H]2CS(=O)(=O)C[C@H]2O)c1 2177837610 DDIGZJZEJFREDP-WDEREUQCSA-N 304.299 -0.019 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[P@](C)(=O)C[C@@H]2O)n1 2186550810 BTLHJVVCQJMDBH-KXCWDCKNSA-N 302.227 -0.206 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@](C)(O)CO 90287520 IUBQTYAUEVWZCU-NSHDSACASA-N 304.324 -0.075 5 10 DBBE O=C(NC[C@@H]1CNC[C@@H]1O)c1n[nH]c2ccc([N+](=O)[O-])cc12 262344870 TZSJIMSXYVCCHV-CPCISQLKSA-N 305.294 -0.219 5 10 DBBE Cc1nn(C)c(N2CCC[C@H]2CS(N)(=O)=O)c1[N+](=O)[O-] 341942418 ZHAZRQYGFBLNLG-QMMMGPOBSA-N 303.344 -0.106 5 10 DBBE CC[C@@H](CO)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 548387023 NNQSEAQHRKBHDU-JTQLQIEISA-N 323.353 0.101 5 10 DBBE CCOC(=O)[C@@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 595953491 JWBREKWXDMBUAE-NSHDSACASA-N 308.294 -0.235 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CCO)C2CCC2)n1 599288273 OXHRCFJCKHMGNA-UHFFFAOYSA-N 304.328 -0.136 5 10 DBBE O=C1C[C@H](NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CN1 1295930144 RULHTDCCRZKSAC-VIFPVBQESA-N 316.277 -0.206 5 10 DBBE O=C(NCC1(NCCn2cncn2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1568234707 ASBMAXSJCZAGFR-VXGBXAGGSA-N 322.369 -0.038 5 10 DBBE O=C(Cc1cnc[nH]1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1573156500 WQAPWWUNBUOVBY-RBLKWDMZSA-N 321.337 -0.372 5 10 DBBE O=[N+]([O-])c1cnc(N2CCN3[C@@H](CNS3(=O)=O)C2)c(F)c1 1612963392 OKOCTIXMLRLHAX-QMMMGPOBSA-N 317.302 -0.533 5 10 DBBE CNC(=O)C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1629102635 GISQHKMMHCQPMU-UHFFFAOYSA-N 322.321 -0.259 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCN(S(=O)(=O)C3CC3)CC2)n1 1642947127 HQLMUQDJNXVCEH-UHFFFAOYSA-N 315.355 -0.058 5 10 DBBE CN(C[C@@H]1CCS(=O)(=O)C1)c1ncnc(N)c1[N+](=O)[O-] 2148781836 HVOYJKCCLCOGAC-ZETCQYMHSA-N 301.328 -0.162 5 10 DBBE CN=c1[nH]c(N2CC(CS(C)(=O)=O)C2)ncc1[N+](=O)[O-] 2159452249 DCXFRLBBTWLFMR-UHFFFAOYSA-N 301.328 -0.671 5 10 DBBE O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O)c1cc([N+](=O)[O-])cs1 2177861806 XYTCRXZLETVSLP-SVARNEQVSA-N 302.308 -0.511 5 10 DBBE C[C@@H](O)[C@H](N)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 80749086 JDIHQIWMZLDBPI-HTRCEHHLSA-N 305.312 -0.713 5 10 DBBE NC(=O)CCCNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126934322 NFVUMFHHZLPWMC-UHFFFAOYSA-N 302.312 -0.279 5 10 DBBE C[C@H](COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C(N)=O 216107237 MVNYFGJXEKMARX-ZCFIWIBFSA-N 303.296 -0.258 5 10 DBBE COCCO[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 338271438 MYYSYGVYEBWKDI-JTQLQIEISA-N 313.314 -0.160 5 10 DBBE CNc1nccc(C(=O)N2CCCNC(=O)[C@@H]2C)c1[N+](=O)[O-] 579851109 ICHYNTPREDNFEG-QMMMGPOBSA-N 307.310 0.382 5 10 DBBE C[C@](O)(CO)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 592431086 ZJEXLCPYACQFIB-WCQYABFASA-N 300.311 -0.333 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Br)c1=N[C@H]1CNC[C@H]1O 699970031 ZOXDDLCLGLWCPO-POYBYMJQSA-N 303.116 -0.081 5 10 DBBE CNC(=O)[C@H](O)CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 1161155231 DMEQMUDUXDNVCI-SDDRHHMPSA-N 307.306 -0.079 5 10 DBBE O=C(NC[C@@H](O)CO)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1472222009 UZKWGMOSIFFJGM-PRHODGIISA-N 309.278 -0.443 5 10 DBBE COC(=O)[C@@H]1[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1(F)F 1651121539 NOTWEWFXDBPYMF-CBAPKCEASA-N 318.236 -0.038 5 10 DBBE O=C(CN1CCCC1)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1679067934 VIZQBGRVNXBSLO-FDYHWXHSSA-N 324.381 -0.242 5 10 DBBE O=C(CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CC1 1707083395 RSKDYEHODJKBMJ-FDYHWXHSSA-N 324.381 -0.338 5 10 DBBE O=C(c1ccc(N2CCOCC2)nn1)N1CCN=C1C[N+](=O)[O-] 1852722493 YGVCDTANONZVKS-UHFFFAOYSA-N 320.309 -0.556 5 10 DBBE Cn1[nH]c(N2CC(O)C2)nc1=NC(=O)c1ccc([N+](=O)[O-])cc1 1870000904 FRLJDVNMBLSEQO-UHFFFAOYSA-N 318.293 -0.422 5 10 DBBE Cc1c([N+](=O)[O-])ccnc1CS(=O)(=O)CCNCCN 1923483629 KSISBCFXZWPGEF-UHFFFAOYSA-N 302.356 -0.239 5 10 DBBE C[S@@](=O)(=NC(=O)c1cc([N+](=O)[O-])cnc1O)C1CNC1 1924601567 YSPNBCPQSBMMSA-FQEVSTJZSA-N 300.296 -0.095 5 10 DBBE NC[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 2126187947 ROAVTIMLCSJSAB-LURJTMIESA-N 309.731 -0.154 5 10 DBBE CS(=O)(=O)C[C@H](N)C(=O)Nc1c(O)cccc1[N+](=O)[O-] 2360621679 BQUIOKFZIBCSGC-LURJTMIESA-N 303.296 -0.389 5 10 DBBE CCCNC(=O)CNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50657834 YOMSCJMRBJUIOU-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@H](N)[C@@H](C)O)cc1[N+](=O)[O-] 80748763 HRGJJJBZRCUWCE-SCZZXKLOSA-N 303.340 -0.110 5 10 DBBE NS(=O)(=O)c1ccc(NC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 116883650 LOAIZVFBLGVYJH-QMMMGPOBSA-N 316.339 -0.358 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 159062903 MFLYYKRZLCGAJW-SFHVURJKSA-N 307.353 -0.166 5 10 DBBE Cn1cc(N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cn1 347387971 FARALPGLEYWHQK-UHFFFAOYSA-N 320.313 -0.731 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3COC[C@@H](C2)O3)nc1 593592257 SYPARJAVBKFFLP-AOOOYVTPSA-N 315.307 -0.222 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCSC[C@@H]2CO)n1 599281638 GTZINGAVBAEPJC-ZETCQYMHSA-N 322.368 -0.573 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](O)[C@H](C)O 717400814 GBUXAPZBFGQFMZ-WPRPVWTQSA-N 304.324 -0.077 5 10 DBBE COC(=O)[C@@H]1C[C@H](F)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 794215972 ZFQXILZUGDOQLB-BQBZGAKWSA-N 301.234 -0.702 5 10 DBBE CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O 1139077815 JPUPEBPWJOSNIO-SECBINFHSA-N 308.294 -0.507 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ccnn1C 1266654949 OUYODKOIUNXMNI-UHFFFAOYSA-N 321.341 -0.076 5 10 DBBE CNC(=O)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 1307090478 LAKKXYLFVMBAEU-VIFPVBQESA-N 317.323 -0.483 5 10 DBBE C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC(=O)N1C 1321246599 GNNVFBNGRLLEPR-VIFPVBQESA-N 308.294 -0.554 5 10 DBBE CCCOCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1351532140 NLPOOAZWKBYVOD-UHFFFAOYSA-N 306.300 -0.440 5 10 DBBE C[C@H]1OCC[C@]1(O)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1618088637 AVLLRDRBALRSRN-RNCFNFMXSA-N 311.294 -0.587 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCCN(CC(N)=O)C1 1628386767 YMOMYMSKVHVJLM-SNVBAGLBSA-N 324.341 -0.834 5 10 DBBE CN(CCOCCNC(=O)C(N)=O)Cc1cccc([N+](=O)[O-])c1 1700708111 XRHWLJHTTWPYMQ-UHFFFAOYSA-N 324.337 -0.355 5 10 DBBE Cc1cncn1CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1747216059 UWEJNFUCIGYEQC-JDEDCZITSA-N 321.337 -0.355 5 10 DBBE NC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2126187076 CEUFKDPGQPQTNB-LURJTMIESA-N 309.731 -0.154 5 10 DBBE C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(=O)O 2176841990 MRPHGILBNVHSJK-MUWHJKNJSA-N 304.280 -0.293 5 10 DBBE CCc1nn(C)c(N[C@@H]2CS(=O)(=O)C[C@H]2O)c1[N+](=O)[O-] 2177808177 HAFUIYJBIQQHCM-HTQZYQBOSA-N 304.328 -0.540 5 10 DBBE O=C(N[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O)c1csc([N+](=O)[O-])c1 2177861694 WSYUILGRSKVDDI-JBABRTIHSA-N 302.308 -0.511 5 10 DBBE C[P@]1(=O)C[C@H](O)[C@@H](Nc2ncnc(NN)c2[N+](=O)[O-])C1 2177956344 RPWPLAQOUQULQQ-SZKRVKKSSA-N 302.231 -0.182 5 10 DBBE CS(=O)(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cs1)C(=O)O 2360579684 AEHUWQAVSILCOD-ZCFIWIBFSA-N 322.320 -0.116 5 10 DBBE O=C(O)C[C@@H](NC(=O)CCn1cnc([N+](=O)[O-])c1)C(=O)O 166387195 KDSSUVDDPONZIE-ZCFIWIBFSA-N 300.227 -0.775 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@H](O)CN 313202725 OJAVJQKETKBOHT-SECBINFHSA-N 303.340 -0.157 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N[C@H]1COC[C@@H]1O 323523617 UWDPIKINDHLRGZ-CBAPKCEASA-N 306.271 -0.228 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC(n2ccnn2)C1 354689541 LNSAXIMNGYGOBG-UHFFFAOYSA-N 304.266 -0.569 5 10 DBBE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 592918949 KXPIDXRJPRYUPU-PSASIEDQSA-N 309.278 -0.014 5 10 DBBE N[C@@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOC1 688512224 JGLHNKYGDGHMFF-LLVKDONJSA-N 301.324 -0.009 5 10 DBBE CN(Cc1nn[nH]n1)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 706654306 TZZAJGXOSNKWEJ-UHFFFAOYSA-N 319.328 -0.428 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](O)[C@@H](C)O 717403428 WNMPCMVYHWBUNJ-PSASIEDQSA-N 304.324 -0.077 5 10 DBBE C[C@@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)O1 859160600 QQXZOKHNIQHWCD-PHDIDXHHSA-N 304.284 -0.689 5 10 DBBE O=C(Cc1ncc[nH]1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941012870 QISDBTSSARLDFH-GHMZBOCLSA-N 321.337 -0.322 5 10 DBBE O=C1NC[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCN2C1=O 1185649617 MPUFPKLNDOYLMQ-QMMMGPOBSA-N 309.257 -0.724 5 10 DBBE CCNC(=O)N1CC[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 1341459117 GJYIHVOBFYSCLJ-QMMMGPOBSA-N 310.314 -0.138 5 10 DBBE COC(=O)[C@](C)(O)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1447452087 JMSOMSBUFVRGHI-GXFFZTMASA-N 312.278 -0.332 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCOC12CCOCC2 1539767838 HWVYPVBBKPCJDL-VIFPVBQESA-N 311.298 -0.359 5 10 DBBE CN=[S@](C)(=O)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C 1633998863 LFGUXNOJQCYQRI-HXUWFJFHSA-N 303.344 -0.056 5 10 DBBE CO[C@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCS(=O)(=O)C1 1645834455 STDLXMHRLKDGSG-NSHDSACASA-N 317.323 -0.144 5 10 DBBE CO[C@@H]1COCC[C@@H]1N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1659966672 FGPFSLKHPVSTLB-FRRDWIJNSA-N 314.342 -0.112 5 10 DBBE CC(C)=CC(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1718210246 KRBBJERMFLCXNE-GHMZBOCLSA-N 311.338 -0.303 5 10 DBBE CCN(CC)CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1759244918 HXNGJXXUWYPYOU-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CCOC[C@H]1[C@@H](O)CO 2146328158 DDNPGZYFBCSSQQ-IUCAKERBSA-N 302.308 -0.150 5 10 DBBE NS(=O)(=O)c1cn(CCC(=O)NC2CC2)nc1[N+](=O)[O-] 2156806295 GPHHILPWHKSFCP-UHFFFAOYSA-N 303.300 -0.893 5 10 DBBE O=[N+]([O-])c1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1F 2177840431 WHHYTQMVGBWEOF-MWLCHTKSSA-N 304.299 -0.019 5 10 DBBE CS(=O)(=O)[C@@H](CN=c1[nH]cnc(N)c1[N+](=O)[O-])C1CC1 2232821977 SKWJJVFMMWWEME-ZETCQYMHSA-N 301.328 -0.376 5 10 DBBE COC[C@@H](O)CN(C)S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50677964 WFQWJRAAXMKUJB-VIFPVBQESA-N 319.339 -0.195 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)ccc1O 93091880 FDFAWEAPPOXYKI-AOOOYVTPSA-N 304.280 -0.974 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 174866891 CBAHOVSEKHUNGE-SECBINFHSA-N 303.344 -0.585 5 10 DBBE CN1C(=O)C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O 344831645 WNIKIJNNEMGGOO-YFKPBYRVSA-N 319.320 -0.308 5 10 DBBE CNc1nccc(C(=O)NCCCn2ccnn2)c1[N+](=O)[O-] 565724872 KPULAKSFNAKYCJ-UHFFFAOYSA-N 305.298 0.443 5 10 DBBE CCN(CCO)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594766704 JCUULCHNQXZAPL-UHFFFAOYSA-N 318.355 -0.418 5 10 DBBE NNc1sc(S(=O)(=O)Nc2nc[nH]n2)cc1[N+](=O)[O-] 701523111 UYNQAIPVVWVEKB-UHFFFAOYSA-N 305.301 -0.139 5 10 DBBE O=C1OC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@@H]12 859419816 RAXGNYXTCDTEMH-HTQZYQBOSA-N 313.291 -0.217 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCS(=O)(=O)CC1 1115967828 CKXJCDGOAHRCMA-UHFFFAOYSA-N 300.296 -0.677 5 10 DBBE C[C@@H](C[S@](C)=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334958362 UEOLCCKJENBAIR-QQOXFEPMSA-N 310.357 -0.626 5 10 DBBE CCNC(=O)N1CC[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1 1337163708 AQWHFHUAGBXPDD-QMMMGPOBSA-N 310.314 -0.138 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)n1 1436952359 MMTXROUGSXGYHM-SSDOTTSWSA-N 309.282 -0.312 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCCC1=NNC(=O)C1 1468634289 CIHANGLZFFTEPW-UHFFFAOYSA-N 321.293 -0.471 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN3C[C@@H](F)C[C@H]3C2)c1 1473859391 JKMSRHVUTKISNH-GVXVVHGQSA-N 313.333 -0.120 5 10 DBBE C[C@@H](O)[C@@H](O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 1557730705 OAOAICNTSKDPIF-PELKAZGASA-N 308.294 -0.198 5 10 DBBE O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(C[C@H](O)CNC2=O)C1 1558319235 XURFLXJDFGMDFW-VIFPVBQESA-N 321.289 -0.377 5 10 DBBE Cc1cc([N+](=O)[O-])cnc1N1CCN2[C@H](CNS2(=O)=O)C1 1559287191 HRCLHUAPNFTDSF-SNVBAGLBSA-N 313.339 -0.363 5 10 DBBE NC(=O)c1cn(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nn1 1559391740 MFMMPNCSFCBGFU-UHFFFAOYSA-N 316.277 -0.126 5 10 DBBE C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1568085911 LALXSMPVLVUSQX-PRHODGIISA-N 308.294 -0.603 5 10 DBBE Cc1nc([C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2cnn(C)c2)no1 1625177328 OSTMKDOHHMSIFA-BBBLOLIVSA-N 306.282 -0.018 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 1644206285 MSXNEWUWCKSPEH-UHFFFAOYSA-N 313.241 -0.324 5 10 DBBE Cc1nc[nH]c1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1747782761 APPVDPFDQNVURR-RKDXNWHRSA-N 307.310 -0.238 5 10 DBBE O=C(CCc1ccncn1)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1757985608 FNUTYWVGGFWPHP-GHMZBOCLSA-N 307.310 -0.693 5 10 DBBE COC(=O)[C@@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1866022450 ZVQBYMGVKGQCNS-SECBINFHSA-N 311.294 -0.076 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC[C@H](O)CO 1963616929 HSOOFRUUQBLGDO-ZETCQYMHSA-N 308.287 -0.245 5 10 DBBE CN1[C@H](CN=c2[nH]cnc(Cl)c2[N+](=O)[O-])CCS1(=O)=O 2145345681 CWSAQSMRBGLJQF-LURJTMIESA-N 321.746 -0.094 5 10 DBBE N[C@H]1COCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2148815661 HKEBLCASRFYJAY-DTWKUNHWSA-N 302.312 -0.616 5 10 DBBE NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC[C@H]1CC(=O)N1 2149185912 BSMBCEXXHZLSSF-ZCFIWIBFSA-N 301.280 -0.491 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C[C@@H]2O)cc1 2164978990 NAPSTTWWHXDOGI-IEBDPFPHSA-N 302.308 -0.243 5 10 DBBE O=[N+]([O-])c1ccc(CN2C[C@@H]3CNCCN3S2(=O)=O)o1 2236800973 ZKNVQHCNLKEPNE-QMMMGPOBSA-N 302.312 -0.478 5 10 DBBE O=[N+]([O-])c1cnc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(Cl)c1 2289412581 PFCOUYLCJDMYFT-JMOVZRAMSA-N 303.702 -0.207 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](O)C2)c1 61712751 NKQDFRPBMDQASB-QMMMGPOBSA-N 302.312 -0.364 5 10 DBBE O=C1CC[C@@H](NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CN1 111018983 QCOJNXAMPFZMIW-SSDOTTSWSA-N 315.307 -0.143 5 10 DBBE Nc1cccc(S(=O)(=O)N[C@@H]2CNC(=O)C2)c1[N+](=O)[O-] 229362815 DXSAPSLUUHVXMW-LURJTMIESA-N 300.296 -0.656 5 10 DBBE CNC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 346731672 JXNMHSNEIUPUFD-MRVPVSSYSA-N 324.293 -0.345 5 10 DBBE C[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC(=O)N1 593605839 LDEQCVKTVBFFKQ-NSHDSACASA-N 314.323 -0.063 5 10 DBBE CN(CC(C)(C)CN)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599101174 MFTARRQOJKJLQW-UHFFFAOYSA-N 305.360 -0.066 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCOC[C@@]12CCOC2 1448379423 XLFGKPLOWACJJD-AWEZNQCLSA-N 323.305 -0.226 5 10 DBBE CCN1CCN(C2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)CC1 1558535844 QHGQCGSSFNCVIW-UHFFFAOYSA-N 323.357 -0.965 5 10 DBBE O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1C[C@@H](CO)[C@@H](O)C1 1570213306 BAHZOVSYGQRYQW-WPRPVWTQSA-N 310.262 -0.251 5 10 DBBE Cn1c(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnc1O 1575822668 QKZQNYKJPODKRC-HTQZYQBOSA-N 311.298 -0.973 5 10 DBBE CC[C@](COC)(NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)OC 1584385811 HQMKOUDKSANSAP-GFCCVEGCSA-N 314.298 -0.124 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NN1CCNCC1 2145593538 OMIIVZHKEBQHGG-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2[C@@H]3CCOC[C@H]32)nc1[N+](=O)[O-] 2150099975 SEBJZPXOJOZIEK-XLPZGREQSA-N 302.312 -0.279 5 10 DBBE NC(=O)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 30544442 SWAFREPTEDUUIF-UHFFFAOYSA-N 307.310 -0.088 5 10 DBBE O=[N+]([O-])c1ccc(CCN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 40676093 UQHJKICZADRWIF-NEPJUHHUSA-N 300.336 -0.115 5 10 DBBE C[C@@H](O)[C@@H](N)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 80738295 DSMIJQFZONTYCT-SCZZXKLOSA-N 303.340 -0.278 5 10 DBBE O=C(O)[C@@H]1CNCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 88664338 LDKIPPWBZHCHCS-JTQLQIEISA-N 315.307 -0.358 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCOC[C@H]2CO)c1 168909983 ARMXCGZOUQBBQX-SECBINFHSA-N 317.323 -0.441 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N[C@@H]1COC[C@H]1O 323404288 UWDPIKINDHLRGZ-VXNVDRBHSA-N 306.271 -0.228 5 10 DBBE CCOC(=O)[C@](C)(O)CNc1ccc2ncc([N+](=O)[O-])n2n1 357448317 ZFOJIVVMKIDPEC-GFCCVEGCSA-N 309.282 0.364 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCNC(=O)C1 357971239 XLZCAPYDVCAAFF-UHFFFAOYSA-N 307.310 -0.540 5 10 DBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CC[C@H]1O 425060383 NYDCRQYRPBIUJT-PSASIEDQSA-N 319.273 -0.170 5 10 DBBE COc1ccc(NS(=O)(=O)NCC(=O)O)cc1[N+](=O)[O-] 527436251 OYUPKOOPLAEIPH-UHFFFAOYSA-N 305.268 -0.066 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NCC[C@]1(O)CCOC1 594793593 DSTBNOZHNIIYIU-NSHDSACASA-N 317.323 -0.190 5 10 DBBE COCCOCCN(CCO)c1ncc([N+](=O)[O-])c(N)n1 599142721 JYJIAXFPMYBGKF-UHFFFAOYSA-N 301.303 -0.571 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H](O)[C@@H]1CCCO1 600239629 UBAXDHIEOQYUMN-MNOVXSKESA-N 311.294 -0.587 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Br)c1=N[C@@H]1CNC[C@H]1O 699970026 ZOXDDLCLGLWCPO-HTRCEHHLSA-N 303.116 -0.081 5 10 DBBE NS(=O)(=O)C1CCN(c2nc(F)ncc2[N+](=O)[O-])CC1 707291375 VEBHSJWFHJUAGP-UHFFFAOYSA-N 305.291 -0.219 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COCC[C@@H]2O)cn1 710961440 MWZTZYUOQCEGQB-BDAKNGLRSA-N 303.296 -0.582 5 10 DBBE Cc1cn(C)nc1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 723956224 LWWGYRHVEQMMHF-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE CCOC(=O)[C@@H]1CCCN(C(=O)Cn2ncc([N+](=O)[O-])n2)C1 863375514 VGJFOBAONGXQIN-SECBINFHSA-N 311.298 -0.012 5 10 DBBE Nc1ncc(C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1[N+](=O)[O-] 1149635567 RBKRXHPYOQDDCF-MRVPVSSYSA-N 307.266 -0.151 5 10 DBBE CC[C@H]1C(=O)NCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1178642088 KUWHYSJOWSZIJH-JTQLQIEISA-N 322.321 -0.116 5 10 DBBE O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC(CO)(CO)C1 1330076897 CCCLWCKRQYZIER-UHFFFAOYSA-N 323.305 -0.263 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cncnc1O 1356050486 AKHORTBISDJBAW-PSASIEDQSA-N 323.309 -0.574 5 10 DBBE COC(=O)[C@@](C)(O)CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1447452090 JMSOMSBUFVRGHI-MFKMUULPSA-N 312.278 -0.332 5 10 DBBE CNC(=O)C1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1458806803 DITBHKXJZHTEBL-UHFFFAOYSA-N 310.314 -0.393 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1C(=O)NCC12CCOCC2 1595539877 VLQRTFRXNWXMML-LLVKDONJSA-N 323.309 -0.797 5 10 DBBE CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cn1nnc(N)n1 1640362637 PAGXBWNEOJEGTJ-UHFFFAOYSA-N 305.298 -0.135 5 10 DBBE CNC(=O)[C@@H](O)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 1641464248 HDMUZOGHQUJZCV-JTQLQIEISA-N 311.294 -0.631 5 10 DBBE C[C@@]1(CO)C[C@@H](O)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1645962439 XKTWCUSHAYPRBD-RNCFNFMXSA-N 311.294 -0.899 5 10 DBBE COC(=O)[C@@H](CO)NC(=O)C(=O)Cc1ccccc1[N+](=O)[O-] 1866062596 ZGUOFGBYBQRJGD-SECBINFHSA-N 310.262 -0.644 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1COC[C@@H]1N 2149987801 NIBOTBIXIBQQBM-DTWKUNHWSA-N 301.324 -0.092 5 10 DBBE N[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2149988251 MYSJUGIIBZIVHK-BDAKNGLRSA-N 305.287 -0.262 5 10 DBBE Cc1ccc(S(=O)(=O)N(CCN)CCN)cc1[N+](=O)[O-] 2152187805 WUOSTWUQWGWWQM-UHFFFAOYSA-N 302.356 -0.189 5 10 DBBE CCc1nnc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)s1 2156819880 GDPZZSGTGSWAHB-UHFFFAOYSA-N 318.340 -0.099 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)C[C@@]1(O)CNC[C@@H]1O 2157172540 RNDHJKZGUHFSAZ-QWRGUYRKSA-N 302.308 -0.936 5 10 DBBE NS(=O)(=O)c1cc(C(=O)NC2COC2)cc([N+](=O)[O-])c1 2165347215 URAQEDPWUGXRMM-UHFFFAOYSA-N 301.280 -0.629 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1N=c1cc[nH]c(C)c1[N+](=O)[O-] 2183318264 PDRMYKAPGXIJMY-ZJUUUORDSA-N 301.324 -0.056 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)[C@H](CO)C2CC2)n1 2240642348 LKWDAUMAEQWMOJ-SNVBAGLBSA-N 304.328 -0.481 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(C)(CO)CO 126287305 CLEUPVVMXYVWEH-UHFFFAOYSA-N 304.324 -0.075 5 10 DBBE CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@@H]21 153192191 MTOCJMHIVBARRL-WDEREUQCSA-N 307.310 -0.392 5 10 DBBE CSC[C@@](C)(O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 230164983 RYOMQJLWQGDRMY-MNOVXSKESA-N 304.372 -0.144 5 10 DBBE C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593587739 XWNUILONTRBLMC-LDYMZIIASA-N 317.323 -0.192 5 10 DBBE C[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])S(C)(=O)=O 594764796 BGVTXMOWKBVZBG-SSDOTTSWSA-N 323.352 -0.299 5 10 DBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1COCCC1=O 600387438 FIYPJMRXDBWJIH-NSHDSACASA-N 321.289 -0.201 5 10 DBBE O=C1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CC1 610497416 DIBFEYWDHQDFKP-GFCCVEGCSA-N 309.326 -0.541 5 10 DBBE CS(=O)(=O)c1ccc(N(CCN)CCO)c([N+](=O)[O-])c1 1163839236 GHNHYKRSSIVMTK-UHFFFAOYSA-N 303.340 -0.244 5 10 DBBE Cc1nn(C)c(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] 1256232699 CDXQCUXEDXHDFM-CYBMUJFWSA-N 307.310 -0.011 5 10 DBBE Cn1ccc(NC(=O)CNC(=O)c2c([N+](=O)[O-])cnn2C)n1 1467634569 JNVLYKVORXBPIX-UHFFFAOYSA-N 307.270 -0.570 5 10 DBBE Cn1cnc(CCCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1 1469415790 RVDITXZYTZFDOA-UHFFFAOYSA-N 320.309 -0.366 5 10 DBBE CN(C[C@H](O)CN1CCOCC1)C(=O)CCC(C)(C)[N+](=O)[O-] 1630740001 QBKYUIHCDFOTFL-LBPRGKRZSA-N 317.386 -0.027 5 10 DBBE NC(=O)[C@@H](C1CC1)N(CC1CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 1632430883 NUYJJSMYNBOGTM-LLVKDONJSA-N 322.325 -0.311 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](C3OCCO3)C2)c1 1644537018 XAUCNUYZWDNTPB-CMPLNLGQSA-N 312.326 -0.153 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1ncc[nH]1 1687462341 NEFPXJDFLOOIPY-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cc[n+]([O-])cc1 1689582993 RMRMIMOZABSXGB-GHMZBOCLSA-N 320.305 -0.636 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCCn1ccnc1 1721079636 WFVRZOATTQNPCO-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE CCN(CCNCCn1nc(C)nc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1732775381 REZLWFYUNPZOKY-CHWSQXEVSA-N 324.385 -0.002 5 10 DBBE Cn1c(C(=O)N2CCCN(C3COC3)CC2)cnc1[N+](=O)[O-] 1849192574 BNJYMWQGGCBJAE-UHFFFAOYSA-N 309.326 -0.125 5 10 DBBE NC[C@@H](Oc1c(Br)cncc1[N+](=O)[O-])C(N)=O 2007460009 USTLHEYNGFBMTQ-ZCFIWIBFSA-N 305.088 -0.056 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(O)n[nH]1 2199525540 QIKGFEZMFAFNJF-UHFFFAOYSA-N 300.256 -0.199 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 113216769 BMRFMEGXOGZJLC-ZETCQYMHSA-N 314.323 -0.314 5 10 DBBE NC(=O)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 228577407 CAEQWOJCNYKTTL-SSDOTTSWSA-N 323.714 -0.627 5 10 DBBE Cc1cc(S(=O)(=O)NOCC(N)=O)cc([N+](=O)[O-])c1F 235782175 IKGWUYGOMQALQY-UHFFFAOYSA-N 307.259 -0.262 5 10 DBBE N[C@@H](CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O 323298607 NQTUQODPBBSBEH-ZETCQYMHSA-N 307.259 -0.576 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COC[C@H]2O)c(F)c1 323460636 HGPGTSXTDNLWLN-DTWKUNHWSA-N 306.271 -0.228 5 10 DBBE N[C@H](CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O 323553765 GYIIKAGYYYOWHB-SSDOTTSWSA-N 323.714 -0.062 5 10 DBBE CN(CC(N)=O)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 347333381 LTBPMCKNQGQBFC-QMMMGPOBSA-N 324.293 -0.264 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H](CO)O1 594778759 HEMZTFHPFQRGSN-DTWKUNHWSA-N 317.323 -0.240 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCNC(=O)c2cccnc2)n1 1324832867 RHLVBCCUNYQBDL-UHFFFAOYSA-N 318.293 -0.117 5 10 DBBE Cc1noc(C)c1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1325215170 ZTMJNKRNJXVHSR-ZYHUDNBSSA-N 324.337 -0.380 5 10 DBBE O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CC(CO)(CO)C1 1455611767 QVWUVMHYSZQKAI-UHFFFAOYSA-N 306.278 -0.102 5 10 DBBE NC(=O)c1ccc(CN2CC(=O)NCC23COC3)c([N+](=O)[O-])c1 1460738863 UUADOCQGOZHIMY-UHFFFAOYSA-N 320.305 -0.606 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H](CO)C(F)(F)F 1472231216 RLOJRIDJQRZQHJ-MRVPVSSYSA-N 309.200 -0.204 5 10 DBBE COC1(OC)CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O 1560103117 HETJRDUSLOZSGL-JTQLQIEISA-N 300.315 -0.153 5 10 DBBE O=C1CC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C(=O)N1 1623448603 DYVYGGHTZTZUMD-MWLCHTKSSA-N 307.262 -0.450 5 10 DBBE C[C@H](O)CNC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872613914 JTPLVVCRAORGKW-QMMMGPOBSA-N 317.323 -0.630 5 10 DBBE CO[C@@H]1CCS(=O)(=O)N(Cc2nn(C)cc2[N+](=O)[O-])C1 2196037974 PQMHJOKCKLTTRK-MRVPVSSYSA-N 304.328 -0.121 5 10 DBBE N[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)O 2286058518 YEJJSCPYWLNJQD-SSDOTTSWSA-N 307.259 -0.113 5 10 DBBE O=C(CNC(=O)Cn1cc([N+](=O)[O-])cn1)NCc1ccco1 28482484 GLSJHFGLXJHIAI-UHFFFAOYSA-N 307.266 -0.183 5 10 DBBE O=C(CN1C[C@@H](O)C[C@@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 179178974 UCYLAEQAFMBRAQ-OLZOCXBDSA-N 321.333 -0.089 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN 228410607 NLBOUWOUFJDELI-UHFFFAOYSA-N 303.296 -0.382 5 10 DBBE C[C@@](CO)(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 313526385 WCYUBMDTLJPKNC-VIFPVBQESA-N 305.268 -0.896 5 10 DBBE CC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)[S@]1=O 342265686 NWZRRNVOGGGVST-URNOHEEXSA-N 315.355 -0.056 5 10 DBBE CN1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1=O 360491362 NDVPLVOHSNUOFP-UHFFFAOYSA-N 322.277 -0.007 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCCN1CCO 452392765 ROZBWNSHPMRXDV-LLVKDONJSA-N 311.342 -0.246 5 10 DBBE CS(=O)(=O)N1CC[C@H](Nc2ncnc(F)c2[N+](=O)[O-])C1 689071509 NACBULGOWYNNLW-LURJTMIESA-N 305.291 -0.030 5 10 DBBE C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H](O)CO 698920489 REBPHKGUNYTGLH-GZMMTYOYSA-N 304.324 -0.244 5 10 DBBE O=C(NC[C@H]1CNC[C@H]1O)c1cc(Cl)ncc1[N+](=O)[O-] 702810376 BVMUKUIATUATMD-HZGVNTEJSA-N 300.702 -0.047 5 10 DBBE Nc1nc(N2CCC[C@@H](S(N)(=O)=O)C2)ccc1[N+](=O)[O-] 707192031 XTMMJAIYKUOFRO-SSDOTTSWSA-N 301.328 -0.171 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](O)CC2)n1 1118816655 SJAGGRLNZWEETF-MRVPVSSYSA-N 304.328 -0.136 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@@H](O)[C@@H](CO)C1 1299450146 KMPUWTNXOUJAQW-PHDIDXHHSA-N 304.690 -0.213 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@@H]2C1 1445170897 BILOONKBGAHTJO-VXGBXAGGSA-N 320.305 -0.136 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCCN2CCO 1472259697 SUKOUAKDGAUYGL-QWRGUYRKSA-N 309.326 -0.011 5 10 DBBE Cc1c(C(=O)NC[C@@]2(CO)COCCN2)cccc1[N+](=O)[O-] 1557959855 DBNUIQXHWFCTNH-CQSZACIVSA-N 309.322 -0.016 5 10 DBBE O=C(NN1CCCC1=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1597277088 AMVBXNQVSYPLOG-UHFFFAOYSA-N 317.265 -0.162 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CO)CN2CCOCC2)n1 1625874234 JWSHMHZRQMEIQQ-LLVKDONJSA-N 324.337 -0.279 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCC1CCS(=O)(=O)CC1 1632294530 QQCUHVTXLYYPTJ-UHFFFAOYSA-N 316.339 -0.117 5 10 DBBE CNC(=O)NC[C@@H]1COCCN1CCn1ccc([N+](=O)[O-])n1 1659899376 XSFHWAXNVUMRMH-SNVBAGLBSA-N 312.330 -0.579 5 10 DBBE CC(C)(C)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1690513335 KDKTYNYHYAYPPJ-HMUNZLOLSA-N 324.381 -0.387 5 10 DBBE O=[N+]([O-])c1ccc(CCNS(=O)(=O)N2CC(O)C2)cc1 1914123482 NLHUHOSNDYOMJR-UHFFFAOYSA-N 301.324 -0.352 5 10 DBBE CN(C1COC1)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 1915669305 GPVWBGVZHCKFBZ-UHFFFAOYSA-N 302.312 -0.100 5 10 DBBE C[S@@](=O)(=NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1 2159071872 VIBSSOQZQDZMMZ-LXGOIASLSA-N 301.328 -0.222 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@@H]1CCCC[C@H]1S(C)(=O)=O 2159177948 DDRJVLQLWIJMHT-HTQZYQBOSA-N 303.344 -0.087 5 10 DBBE CS(=O)(=O)CC1CN(c2cc([N+](=O)[O-])cc(NN)n2)C1 2159451878 MATMDQBLCGBCKS-UHFFFAOYSA-N 301.328 -0.244 5 10 DBBE NC(=O)C1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N)CC1 2159812394 GANGOORIIWIGBT-UHFFFAOYSA-N 300.296 -0.527 5 10 DBBE CCc1nn(C)c(O[C@@H]2CS(=O)(=O)C[C@@H]2N)c1[N+](=O)[O-] 2177960523 ZKGIVILVDICTJM-POYBYMJQSA-N 304.328 -0.606 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCS[C@@H](C(=O)O)C2)n1 2186550079 POIAGHTZDIVBCK-SSDOTTSWSA-N 300.296 -0.030 5 10 DBBE CCN=c1nc(OCCS(C)(=O)=O)c([N+](=O)[O-])c(C)[nH]1 2189900921 NOEGGQHMPYRYEL-UHFFFAOYSA-N 304.328 -0.030 5 10 DBBE CCOC(=O)C(F)(F)CCS(=O)(=O)N1CC([N+](=O)[O-])C1 2191540644 NTSDOHJBFRWUMU-UHFFFAOYSA-N 316.282 -0.134 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50674111 JTBVQBLNMPHROE-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE Cn1c(C(=O)Nc2cn(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-] 358531765 HGLBUKFMEXSZDY-UHFFFAOYSA-N 307.266 -0.417 5 10 DBBE O=C(N=c1cc[nH]cc1[N+](=O)[O-])N1CCn2c(O)nnc2C1 446344068 RERWQHSUGPBWHP-UHFFFAOYSA-N 305.254 -0.244 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](CO)O1 593582553 OSFSNTVJSJMFDL-PSASIEDQSA-N 317.323 -0.240 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCCN2)n1 599098171 PXINYCUTAWODEU-MRVPVSSYSA-N 303.344 -0.251 5 10 DBBE CCOC(=O)CCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599222663 DDWWGNNJSUBGBI-UHFFFAOYSA-N 320.327 -0.098 5 10 DBBE O=C1NC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]12 725374541 PDXBXFSWQALLMA-RKDXNWHRSA-N 311.319 -0.039 5 10 DBBE COC(=O)[C@@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 1175863075 PGZKXKMCAQHCPY-CYBMUJFWSA-N 309.278 -0.073 5 10 DBBE Cn1cc(CN[C@H]2C(=O)NCC23CCOCC3)c([N+](=O)[O-])n1 1176506046 YXEHIGHMDZIXIQ-JTQLQIEISA-N 309.326 -0.287 5 10 DBBE COC(=O)C[C@@]1(NC(=O)c2nn(C)cc2[N+](=O)[O-])CCOC1 1320556544 BGCHMAJYIRDENY-LBPRGKRZSA-N 312.282 -0.220 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCn2ncnc2C1 1327036267 SUFWWYMRDCJPKL-UHFFFAOYSA-N 310.295 -0.214 5 10 DBBE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nncn1C 1327213566 UEVMMXCKGGAXCL-GHMZBOCLSA-N 310.358 -0.239 5 10 DBBE COCCN1C[C@@H](C(=O)Nc2c([N+](=O)[O-])cnn2C)CC1=O 1435982786 JWKAEAAVKNAYDK-QMMMGPOBSA-N 311.298 -0.238 5 10 DBBE O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccnc2ccnn12 1522628515 QNAYGPDNFAWFNO-PSASIEDQSA-N 318.293 -0.760 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnon1 1581372633 AJBLGDRFNSCOHA-PSASIEDQSA-N 311.298 -0.297 5 10 DBBE CC(=O)NCC(=O)NCC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 1648977582 DGGWLZXPKLDMIM-UHFFFAOYSA-N 322.321 -0.228 5 10 DBBE CCN(CCNC(=O)Cn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1745284192 SNZNCLPUYFNAFO-GHMZBOCLSA-N 309.326 -0.487 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1759913556 YHIWOIWRGSEXFD-NZFPMDFQSA-N 309.322 -0.691 5 10 DBBE CN=c1[nH]c(=NC[C@H]2CCCS2(=O)=O)[nH]cc1[N+](=O)[O-] 2157681759 HZWLBRAAORBPGC-SSDOTTSWSA-N 301.328 -0.741 5 10 DBBE N[C@H]1C[C@H](O)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 2168119496 PYHFTCVRFVYOMP-WPRPVWTQSA-N 301.324 -0.323 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CO)[C@@H](C)O 2174118221 FTJCZOXBNZICPQ-SCZZXKLOSA-N 304.324 -0.077 5 10 DBBE N[C@H](CS(=O)(=O)Nc1c(F)cccc1[N+](=O)[O-])C(=O)O 2286021007 OMCUVQRQIGEERL-ZCFIWIBFSA-N 307.259 -0.113 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NN2CCOCC2)ccc1O 149035082 VDYDLJIJWZXSHE-UHFFFAOYSA-N 303.296 -0.174 5 10 DBBE CN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 228410319 PZOKHUOGFDUXJR-UHFFFAOYSA-N 317.279 -0.601 5 10 DBBE NC(=O)COCCNC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 228693215 DKYIKXVRQBCRQH-UHFFFAOYSA-N 302.674 -0.125 5 10 DBBE COc1ccc([N+](=O)[O-])cc1CNC(=O)CN1CC(=O)NC1=O 264853335 NLVYMSULKAWWLS-UHFFFAOYSA-N 322.277 -0.229 5 10 DBBE NC(=O)[C@@]1(O)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 276433373 KBZRXPMPYRKRPL-CQSZACIVSA-N 322.321 -0.155 5 10 DBBE COC(=O)[C@]1(OC)CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 600298234 LKCPVABBELCERJ-ZDUSSCGKSA-N 324.293 -0.024 5 10 DBBE C[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 600655015 GJJHRWIINGYHAW-BQBZGAKWSA-N 318.311 -0.188 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCOC[C@H]1CCO 758596920 LJHPHZSHGXSVBZ-SNVBAGLBSA-N 313.314 -0.416 5 10 DBBE COc1ccc(C(=O)NC[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] 1161188016 FOMCNFIPZLHIJV-SNVBAGLBSA-N 321.293 -0.014 5 10 DBBE CNC(=O)NC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 1161796905 CAJNHUSRYCLKCI-UHFFFAOYSA-N 310.314 -0.289 5 10 DBBE CN(C[C@H](O)c1cccnc1)C(=O)Cn1cnc([N+](=O)[O-])n1 1180217386 OHSYMFQREHHNGM-JTQLQIEISA-N 306.282 -0.227 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCOC12CCOCC2 1539767836 HWVYPVBBKPCJDL-SECBINFHSA-N 311.298 -0.359 5 10 DBBE COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCOC1 1558830997 PJWRVZGPBPZZLF-HTQZYQBOSA-N 312.282 -0.127 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)c1 1745308450 QSLLWQXNFWCPAJ-GHMZBOCLSA-N 309.326 -0.336 5 10 DBBE Cc1cnn(CC(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1747113891 YQUASNGYRJZECF-JGLYPNHGSA-N 321.337 -0.355 5 10 DBBE C[C@@H](CS(N)(=O)=O)Nc1cc(C(N)=O)ccc1[N+](=O)[O-] 2152955482 VYCNHBAJZDONPW-LURJTMIESA-N 302.312 -0.217 5 10 DBBE CN=c1nc(N=[S@]2(=O)CC[C@@H](CN)C2)c([N+](=O)[O-])c[nH]1 2173927490 IQVUGODHYLZBLA-JKNYTWMOSA-N 300.344 -0.074 5 10 DBBE CS(=O)(=O)CC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccn1 2202442923 NAVUVXYTMHMZNI-MRVPVSSYSA-N 302.312 -0.310 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@@H](N)[C@H](C)O)cc1[N+](=O)[O-] 80748791 BWZKHJNIDFGFFV-IONNQARKSA-N 319.339 -0.410 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126916478 IDAHBLZYTMFYGT-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE CCCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 131964090 GXMVUZLXAPGKIE-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)C1 157478463 MUUSOJZAVWVZCT-ZCFIWIBFSA-N 321.384 -0.076 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCO[C@@H](CO)C2)cc1[N+](=O)[O-] 167247160 PJFYEPCKULEOOP-MRVPVSSYSA-N 317.323 -0.441 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1CO 168911105 NXDJWCJWNJQRKK-SECBINFHSA-N 317.323 -0.441 5 10 DBBE Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)CN)cc1[N+](=O)[O-] 313448593 BMNUZBNEEWWSRB-VIFPVBQESA-N 303.340 -0.157 5 10 DBBE N[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)O 323613556 SHZYCVJCNWRDFH-ZETCQYMHSA-N 323.714 -0.062 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)n1 599108747 QONWEKBHUMYFTR-BQBZGAKWSA-N 307.307 -0.693 5 10 DBBE C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599261346 ONXXPZTWYDHFQQ-JGVFFNPUSA-N 320.327 -0.901 5 10 DBBE C[C@H](O)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 717415839 PQNGPGNLNINJMD-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE CCN(C(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1268825825 SRKBVHCHPMSMPB-CHWSQXEVSA-N 324.381 -0.290 5 10 DBBE CN(C(=O)CCc1cnc[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1286018946 LTHJOVJNLQWCTA-VXGBXAGGSA-N 321.337 -0.323 5 10 DBBE CC(C)(CCC(=O)N1CCN2CCOC[C@]2(CO)C1)[N+](=O)[O-] 1347432656 JKQXUBDYKBEMFD-CQSZACIVSA-N 315.370 -0.273 5 10 DBBE CC(C)(CCC(=O)NC[C@H](O)CN1CCCC1=O)[N+](=O)[O-] 1445933310 UUHYAXATPBJDKQ-JTQLQIEISA-N 301.343 -0.079 5 10 DBBE C[C@]1(CO)C[C@@H](O)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1453742846 IFSFUMXOVXRFLJ-YRGRVCCFSA-N 310.306 -0.028 5 10 DBBE O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(C[C@@H](O)CNC2=O)C1 1455690699 VOQHBFFAOHQXKG-SECBINFHSA-N 321.289 -0.377 5 10 DBBE CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 1455719275 ARXLVJJGBJJADT-LURJTMIESA-N 303.300 -0.320 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](CO)C(F)(F)F 1472230796 ZTXNTLCTYRYQFW-SSDOTTSWSA-N 309.200 -0.204 5 10 DBBE CC(C)OCC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1526178140 FSXKEXIOHRDTHS-HMUNZLOLSA-N 311.338 -0.350 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CNC(N)=O)C2)n1 1624680263 WSYBIXPTBGZTFH-QMMMGPOBSA-N 310.314 -0.151 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCOC[C@H]1CC(N)=O 1638227849 PWKMPYBEFUWQKJ-SECBINFHSA-N 311.298 -0.797 5 10 DBBE COCCN(CCNC(=O)C(N)=O)Cc1cccc([N+](=O)[O-])c1 1677317393 QAMOSWWLXCIIRL-UHFFFAOYSA-N 324.337 -0.355 5 10 DBBE CCC(=O)NCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759544532 JBVFUXFLSOTGMN-NXEZZACHSA-N 314.342 -0.905 5 10 DBBE Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCN=C1C[N+](=O)[O-])CC2 1852829998 AXXMKPLAGJXAPY-SECBINFHSA-N 319.321 -0.597 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NC1C[C@@H]2CC[C@H](C1)S2(=O)=O 2159179156 URSOWDFPCOVWOE-IEESLHIDSA-N 301.328 -0.335 5 10 DBBE NC(=O)C1(NS(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])CC1 2159812984 ORTVBQXUECVFOA-UHFFFAOYSA-N 300.296 -0.527 5 10 DBBE Cc1cc(=N[C@@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c(C)[nH]1 2177803752 ZPNWTNWBFCILEH-NXEZZACHSA-N 301.324 -0.402 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1N=c1c(Cl)c[nH]cc1[N+](=O)[O-] 2192681553 VMOANSOZRWQGRA-CBAPKCEASA-N 320.758 -0.138 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCc2nnn[nH]2)c(F)cc1F 44930680 LQHPCMYSYCNGNT-UHFFFAOYSA-N 320.237 -0.135 5 10 DBBE Cn1cnnc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50661885 CLAOZIAARRCBEA-UHFFFAOYSA-N 312.311 -0.216 5 10 DBBE NS(=O)(=O)NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 344425734 WCYGDRNVOWWJDV-VIFPVBQESA-N 315.355 -0.001 5 10 DBBE C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593614150 RUKROIXFHNMXFK-SSDOTTSWSA-N 300.296 -0.202 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc([N+](=O)[O-])cn1 710804506 ZWKGNHMTMNOMDK-MNOVXSKESA-N 301.324 -0.109 5 10 DBBE COC(=O)N(C)CCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 852571341 XSHCKVJDQIZKBN-LLVKDONJSA-N 315.330 -0.218 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCNC[C@H]2C(F)F)c1 923352727 QPMLISFFMAMVOG-UWVGGRQHSA-N 305.285 -0.309 5 10 DBBE CCO[C@H]1C[C@H]1C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1261816624 PWMDZPVVJTXYGC-SVRRBLITSA-N 318.311 -0.442 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(N2CC[C@@H](O)C2)C1 1452872266 VDITWFMDQTWKSE-LLVKDONJSA-N 322.321 -0.966 5 10 DBBE CN1CCCC[C@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C1=O 1462031185 BWXGMXOVKSXXNQ-VIFPVBQESA-N 310.314 -0.344 5 10 DBBE Cn1nnnc1CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1653555661 KOLLGIJYTMXWSG-GFCCVEGCSA-N 320.309 -0.099 5 10 DBBE COCCCC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1744565639 SHPSQRXEYVMZJB-HMUNZLOLSA-N 311.338 -0.349 5 10 DBBE CCOC(=O)[C@H](CC(N)=O)NC(=O)c1cc([N+](=O)[O-])ccc1N 1865986223 QESLSXBGUDBGMU-JTQLQIEISA-N 324.293 -0.286 5 10 DBBE Cc1[nH]c(=N)[nH]c(=N[C@H](C)C2CS(=O)(=O)C2)c1[N+](=O)[O-] 2146088198 RQEYNLCBFORSQD-RXMQYKEDSA-N 301.328 -0.627 5 10 DBBE O=C(O)[C@@]1(Nc2ncc([N+](=O)[O-])cn2)CCS(=O)(=O)C1 2172194505 ZZDNZXCYSRKSJG-SECBINFHSA-N 302.268 -0.561 5 10 DBBE CN(C)S(=O)(=O)C1CN(c2ncnc(F)c2[N+](=O)[O-])C1 2187305580 OYGGFLDUIUJABP-UHFFFAOYSA-N 305.291 -0.396 5 10 DBBE CO[C@H]1C[C@H]1NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 2188225885 YOWRWHMXKRXMSF-APPZFPTMSA-N 302.312 -0.054 5 10 DBBE O=C1CNC(=O)N1CCn1ccc(Cl)c([N+](=O)[O-])c1=O 2207099242 ASBQZYFPDMDIMB-UHFFFAOYSA-N 300.658 -0.038 5 10 DBBE O=c1cnn2c(=O)/c(=C/c3cccc([N+](=O)[O-])c3)sc2n1 15223812 JVPBNYUWBWBCKN-UITAMQMPSA-N 302.271 -0.033 5 10 DBBE O=C(O)[C@@H](CCO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 40700034 CSGWVPYKVVKVDD-SSDOTTSWSA-N 320.279 -0.586 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 49102122 NYWKTFSMRUQMDQ-ZCFIWIBFSA-N 317.327 -0.707 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](CO)C1 167833648 RKRQXILWHVROQS-MRVPVSSYSA-N 316.339 -0.117 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCc2nnn(C(C)(C)C)n2)n1 594110460 OWOVNVBNHSOOND-UHFFFAOYSA-N 308.302 0.000 5 10 DBBE CO[C@@]1(CO)CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 595662162 NHWHNXAFZNNPKT-STQMWFEESA-N 314.342 -0.375 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCn2ccnc2)n1 599204389 UVDDSMYIFSHHJY-UHFFFAOYSA-N 314.327 -0.107 5 10 DBBE Cc1nn(C)c(C(=O)NC[C@@H]2CN3CCCN2CC3)c1[N+](=O)[O-] 619874059 XOAQQCRIZJZVQJ-LLVKDONJSA-N 322.369 -0.244 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N[C@@H]2CNC[C@@H]2O)c1 699963001 POZLBGBRMNQKCA-BDAKNGLRSA-N 305.287 -0.655 5 10 DBBE CN(CCS(N)(=O)=O)c1cnc([N+](=O)[O-])cc1C(=O)O 719722723 TUMBETUMTBSNKV-UHFFFAOYSA-N 304.284 -0.587 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCS(=O)(=O)C2)n1 1116854138 ZWHCIMMFBWLCNK-SSDOTTSWSA-N 303.296 -0.080 5 10 DBBE COC(=O)Cn1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])n1 1323392697 PMQTWALVJJAJMV-UHFFFAOYSA-N 308.254 -0.050 5 10 DBBE CO[C@H](COC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCOC1 1327441638 LIRYGRSBCIAWPA-RKDXNWHRSA-N 300.271 -0.219 5 10 DBBE CS(=O)(=O)[C@H]1CSCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] 1465321620 RVSFCTDJSUNNLE-ZETCQYMHSA-N 320.352 -0.122 5 10 DBBE C[C@@H]1[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CCS1(=O)=O 1531538970 IRZWOCHJFZBPNB-RNFRBKRXSA-N 302.312 -0.366 5 10 DBBE CC(=O)N1CCN(C(=O)CCNc2nn(C)cc2[N+](=O)[O-])CC1 1611946806 CBSOAKNOKAAINM-UHFFFAOYSA-N 324.341 -0.179 5 10 DBBE NC(=O)[C@@H](O)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 1635721748 QVFSEURFYVDGGR-ZETCQYMHSA-N 305.649 -0.037 5 10 DBBE O=C1OCC[C@]12CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 1660694147 LJFYOXTUWBZXOV-AAEUAGOBSA-N 310.310 -0.209 5 10 DBBE O=C(NCC1(O)CN(Cc2nccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1699913457 XKFZUFFHJANRFD-RKDXNWHRSA-N 312.351 -0.529 5 10 DBBE N[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2149988366 NQQNDUNUTKXSGV-DTWKUNHWSA-N 305.287 -0.262 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NCCNS(=O)(=O)C2CC2)[nH]1 2238982247 FXYPPPRHNPBSOF-UHFFFAOYSA-N 303.344 -0.273 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@H]2COC[C@@H]2S(C)(=O)=O)[nH]1 2239002454 VJTAMMHIUGZCIX-CBAPKCEASA-N 304.328 -0.543 5 10 DBBE Cc1nc(Cl)[nH]c(=NCCS(=O)(=O)CCO)c1[N+](=O)[O-] 2360911877 VMFJHTYMQRAKQV-UHFFFAOYSA-N 324.746 -0.412 5 10 DBBE CNC(=O)[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(C)C 178452660 UAKYNKGEXBDVLY-SNVBAGLBSA-N 312.330 -0.139 5 10 DBBE NC(=O)[C@]1(O)CCCN(c2nc(Cl)ncc2[N+](=O)[O-])C1 312266549 HVSXEXMAYNJCFA-JTQLQIEISA-N 301.690 -0.145 5 10 DBBE Cc1[nH]nc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 1441047743 FSEUEENHMIUXMA-ZETCQYMHSA-N 302.312 -0.209 5 10 DBBE COC(=O)[C@@]1(NC(=O)Cn2c([N+](=O)[O-])cnc2C)CCOC1 1517118626 DUCRKPOSRZGFCJ-GFCCVEGCSA-N 312.282 -0.452 5 10 DBBE O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@]1(O)CCOC1 1540737007 DYVIVLIEYAGSQH-AWEZNQCLSA-N 322.321 -0.210 5 10 DBBE O=C(NCC1CCS(=O)(=O)CC1)c1c[nH]nc1[N+](=O)[O-] 1556091017 WRQGPRQZAUYTMQ-UHFFFAOYSA-N 302.312 -0.128 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCOCC1 1689583083 VSWAGOHECMIJIV-GHMZBOCLSA-N 311.338 -0.157 5 10 DBBE CCc1n[nH]cc1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758953681 ZAOZMOVOFDRUCU-LDYMZIIASA-N 309.326 -0.175 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1N1CCS(=O)(=O)CCN1 1965651200 QVDHVBJHQGIYLJ-UHFFFAOYSA-N 303.344 -0.141 5 10 DBBE C[C@H]1NC[C@@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 2011378262 DQTNHAWKZZTJIR-WVBDSBKLSA-N 306.076 -0.280 5 10 DBBE NS(=O)(=O)c1ccc(N2CC[C@H]2C(=O)O)c([N+](=O)[O-])c1 2160919956 NCUQCIYOPVILMC-QMMMGPOBSA-N 301.280 -0.095 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CO)[C@H](C)O 2174123086 IFHCWXPOVFXILL-DTWKUNHWSA-N 304.324 -0.077 5 10 DBBE CCc1nn(C)c(N[C@@H]2CS(=O)(=O)C[C@@H]2O)c1[N+](=O)[O-] 2177808179 HAFUIYJBIQQHCM-SFYZADRCSA-N 304.328 -0.540 5 10 DBBE Cc1c([N+](=O)[O-])ccnc1CS(=O)(=O)C[C@H](N)C(=O)O 2195328980 VEHAVQBEMVTPMR-ZETCQYMHSA-N 303.296 -0.375 5 10 DBBE O=C(O)[C@@H]1[C@@H](O)[C@@H](O)CN1c1ncc(Cl)cc1[N+](=O)[O-] 2200857974 IVLMKNSEFTXVSD-FXQIFTODSA-N 303.658 -0.362 5 10 DBBE CS(=O)(=O)[C@H]1CCC[C@H]1N=c1[nH]c(=N)[nH]cc1[N+](=O)[O-] 2206001506 QCFMWTGTWXDKRW-SVRRBLITSA-N 301.328 -0.403 5 10 DBBE COC[C@H](O)CN(C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 42526656 NBNARDYDLXOXRN-MRVPVSSYSA-N 319.339 -0.195 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)CO 90281318 LLRLEEDAOXWQGB-QMMMGPOBSA-N 306.296 -0.765 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNC[C@H](O)C1 141300326 CUCRGGQANDKXFF-VIFPVBQESA-N 301.324 -0.450 5 10 DBBE Cn1cc(CC2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)cn1 1301623436 NLBRKHZEFVWUDK-UHFFFAOYSA-N 305.298 -0.379 5 10 DBBE O=C1NC(=O)[C@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 1307785023 HBLLHGXIFWZQQW-GRYCIOLGSA-N 305.290 -0.167 5 10 DBBE COc1ccc(CNC(=O)C(=O)N2CC(CO)C2)cc1[N+](=O)[O-] 1321813201 GHXZFUYXEUUCCD-UHFFFAOYSA-N 323.305 -0.330 5 10 DBBE CNC(=O)[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1351373695 IJVLDQMROUVPSD-ZETCQYMHSA-N 317.327 -0.915 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@](C)(CO)C(=O)OC)n1 1556975697 REJXNJLQLDXYET-LLVKDONJSA-N 300.271 -0.535 5 10 DBBE C[C@H]1CCNC(=O)[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1568085912 LALXSMPVLVUSQX-QPUJVOFHSA-N 308.294 -0.603 5 10 DBBE CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1628510067 RDAUOJHKTWXUEH-UHFFFAOYSA-N 305.298 -0.138 5 10 DBBE Nc1ncc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] 1635983156 YVASGXLEUOWAMJ-WDEREUQCSA-N 321.337 -0.147 5 10 DBBE NC(=O)c1ccnc(N2CC(N3CCCC3=O)C2)c1[N+](=O)[O-] 1655896352 LZZCAYPIPFCSCQ-UHFFFAOYSA-N 305.294 -0.100 5 10 DBBE CN(CCCNC(=O)c1ccc(O)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1687376826 YDNMUTCUOMPHPG-PSASIEDQSA-N 323.309 -0.574 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc[n+]([O-])cc1 1745308337 MAMNTKWIVOCTQD-VXGBXAGGSA-N 322.321 -0.437 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1C1(C(=O)O)CS(=O)(=O)C1 2146100959 RUCPIJKZJZOEBP-UHFFFAOYSA-N 303.296 -0.130 5 10 DBBE NCC1CN(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])C1 2161187261 NUKHHLRVCGNUNZ-UHFFFAOYSA-N 300.340 -0.180 5 10 DBBE Cc1nn(C)c(N[C@H]2CNC[C@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2192674181 BIXCIEAGIQEAMD-JGVFFNPUSA-N 303.344 -0.566 5 10 DBBE O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1NC[C@H](O)[C@H]1O 2201149268 MDQQJMLWNFZFET-IVZWLZJFSA-N 301.686 -0.120 5 10 DBBE COc1ccc([N+](=O)[O-])c(NCCS(=O)(=O)CCO)n1 2360919188 KYFLVGCZODMZCD-UHFFFAOYSA-N 305.312 -0.183 5 10 DBBE COc1ccc([N+](=O)[O-])c(OCCS(=O)(=O)CCN)n1 2361000971 IEMPUARAYYNNOH-UHFFFAOYSA-N 305.312 -0.249 5 10 DBBE CO[C@@H](CN)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2365416619 VZWFUYHAMHZOTD-ZETCQYMHSA-N 305.312 -0.448 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 20545778 IVRFKAUYGBXKDI-HZGVNTEJSA-N 304.280 -0.293 5 10 DBBE NS(=O)(=O)c1ccc(C(=O)N2CCOC2)cc1[N+](=O)[O-] 597721973 BNRWFEGQJXZNEM-UHFFFAOYSA-N 301.280 -0.328 5 10 DBBE C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CN(C)C 599311773 LUJXLHHFWWJEGJ-QMMMGPOBSA-N 305.360 -0.196 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNC[C@@H]2O)c(F)c1 699961008 DGPYUAUYFXTMIK-IUCAKERBSA-N 305.287 -0.655 5 10 DBBE O=C(Cn1ncc([N+](=O)[O-])n1)NC1CCC2(CC1)OCCO2 863375140 ZNAMMKLSAYONOF-UHFFFAOYSA-N 311.298 -0.012 5 10 DBBE CS(=O)(=O)C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCO1 1179413843 LEQFKDNSPOEOKP-SSDOTTSWSA-N 318.311 -0.797 5 10 DBBE NC(=O)C1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1251834010 QMZWTUGXVDSANA-UHFFFAOYSA-N 322.321 -0.083 5 10 DBBE CCN(C(=O)CN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1318020665 XQRLEQREDVAJIO-VXGBXAGGSA-N 310.354 -0.537 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnccn1 1357520860 JQFJFKOCSTXMPS-UESFQREOSA-N 305.294 -0.456 5 10 DBBE O=C(NCCCN(C(=O)c1cnon1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1493068946 APHRLMDLJVDQOF-MWLCHTKSSA-N 323.309 -0.154 5 10 DBBE C[C@H]1CN(CCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CCO1 1559356486 LYZFRLYMHMJKGX-VIFPVBQESA-N 310.310 -0.424 5 10 DBBE CNC(=O)[C@H](O)CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 1641464249 HDMUZOGHQUJZCV-SNVBAGLBSA-N 311.294 -0.631 5 10 DBBE CC(=O)N[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1656312428 HFKRXSLJDMLONB-NSHDSACASA-N 322.321 -0.116 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1CCS(=O)(=O)CCO1 1660671717 LUQSMJBUCBHAIQ-UHFFFAOYSA-N 317.323 -0.582 5 10 DBBE Cn1cc(Cl)c(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1736741792 ZDPOEPHEIOJSEB-HTRCEHHLSA-N 315.717 -0.415 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1=CCOCC1 1747180641 CBXFCLDNKPKXSZ-JZIZGNRHSA-N 309.322 -0.213 5 10 DBBE C[C@H](O)[C@H](NC(=O)c1cn2cc([N+](=O)[O-])ccc2n1)C(=O)O 1860400698 QIMORKWJUDCFKD-WKEGUHRASA-N 308.250 -0.194 5 10 DBBE C[C@H](N=c1[nH]c(=N)[nH]cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 2146103140 LHLJGJRQQKNJNN-BQBZGAKWSA-N 301.328 -0.546 5 10 DBBE Nc1cccc(S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)c1[N+](=O)[O-] 2149266383 MJESGCPIMSEBOH-XPUUQOCRSA-N 305.287 -0.120 5 10 DBBE O=C(O)c1cc(=NC[C@@H]2CCS2(=O)=O)[nH]cc1[N+](=O)[O-] 2150724092 JGXUFSLXWWVXKG-LURJTMIESA-N 301.280 -0.291 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](F)[C@H](CO)C2)cn1 2177141772 YWFIHGSPQGHTHT-IONNQARKSA-N 305.287 -0.059 5 10 DBBE Nc1ccc(S(=O)(=O)NCC[C@H](O)CO)cc1[N+](=O)[O-] 2182259232 LKRBOMGPXAUVGQ-ZETCQYMHSA-N 305.312 -0.801 5 10 DBBE C[C@@H]1[C@@H](O)CN1S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 2182522490 FTVQLLRKHRCFFX-MUWHJKNJSA-N 302.312 -0.366 5 10 DBBE NNc1ccc([N+](=O)[O-])c(N2CC[C@@H](S(N)(=O)=O)C2)c1 2206775566 LMKHLDIZKOSQQK-MRVPVSSYSA-N 301.328 -0.252 5 10 DBBE COc1ccc(S(=O)(=O)NCc2nnn[nH]2)cc1[N+](=O)[O-] 44930809 HOMDAOXIBRRYER-UHFFFAOYSA-N 314.283 -0.405 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 125584646 RDXDRJJYKHHJRH-RXMQYKEDSA-N 320.352 -0.253 5 10 DBBE CC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(N)=O 206285922 YKHLYTAVXOLNIN-NSHDSACASA-N 308.294 -0.757 5 10 DBBE COC(=O)CN1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 420581010 DLGLBMVOQIATEC-UHFFFAOYSA-N 322.321 -0.011 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2O)cn1 706680689 MODIOGDVKYQUBS-BDAKNGLRSA-N 303.296 -0.582 5 10 DBBE CN(CCCNC(=O)c1cnnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1351433743 WMQYOUIUHNHGMB-RKDXNWHRSA-N 310.314 -0.941 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1n[nH]c(C)n1 1356051861 YFCJKZRUDZDXOK-NXEZZACHSA-N 324.341 -0.714 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 1536776739 RJKBURQRPJFUSR-DTORHVGOSA-N 314.323 -0.706 5 10 DBBE C[C@H](O)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1 1626328781 RPGCSVRTXRQQRM-ONGXEEELSA-N 311.294 -0.635 5 10 DBBE Cc1nn(C)c(C(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)c1[N+](=O)[O-] 1638983872 RWAHROQDSHSCFD-HTQZYQBOSA-N 316.339 -0.058 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCCC1 1641852991 TUOPWPOHSVNKFO-VIFPVBQESA-N 309.326 -0.242 5 10 DBBE NC(=O)CC1CC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1651576701 CISRXFWTYZFUIL-UHFFFAOYSA-N 308.294 -0.473 5 10 DBBE O=C(NCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)c1cnon1 1703765848 ZDEVRKIBYRJSDN-MWLCHTKSSA-N 323.309 -0.154 5 10 DBBE CNC(=O)CNC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1733686696 YKIRZNYOEDVWRI-DDHJBXDOSA-N 312.370 -0.338 5 10 DBBE COCC(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1739401872 HIHVACUAHOVYEX-GHMZBOCLSA-N 313.354 -0.007 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)NC[C@@H](C)O)c1 1861338876 ZPRKXMVBSFUYKP-MRVPVSSYSA-N 311.294 -0.170 5 10 DBBE CC[C@H](CS(C)(=O)=O)N=c1[nH]c(NN)ncc1[N+](=O)[O-] 2146300153 SAXSBXRPPZSEDM-ZCFIWIBFSA-N 304.332 -0.673 5 10 DBBE COC1(CO)CN(S(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)C1 2157302975 DWXPFVXSDFNUIP-UHFFFAOYSA-N 323.352 -0.380 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CS(=O)(=O)C[C@H]1O 2177814122 VHMSUWPZOGBINU-JGVFFNPUSA-N 304.328 -0.311 5 10 DBBE CO[C@@H]1CNC[C@H]1S(=O)(=O)N=c1cc[nH]cc1[N+](=O)[O-] 2202432651 UNMXHIKJJFOKRG-NXEZZACHSA-N 302.312 -0.860 5 10 DBBE CS(=O)(=O)[C@H]1CC[C@](C(=O)O)(n2cnc([N+](=O)[O-])n2)C1 2361603757 HIULREGYPNXJSC-RCOVLWMOSA-N 304.284 -0.437 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] 50661845 WQPLHDYRXYGJNI-SECBINFHSA-N 314.323 -0.266 5 10 DBBE C[C@@H](O)CNCCNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 132249216 INQJLUILNSLTNR-MRVPVSSYSA-N 321.330 -0.017 5 10 DBBE COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cn1 532388356 VGPJQHYBIHUTQT-JTQLQIEISA-N 322.277 -0.507 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CNC[C@H]1O 699963289 UIMLQSVUKWIRML-VHSXEESVSA-N 301.324 -0.486 5 10 DBBE CN(C)C[C@]1(O)CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 1455057344 RCUIUZLXILLSSU-CYBMUJFWSA-N 309.326 -0.289 5 10 DBBE O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CC(N[C@H]2CCOC2)C1 1597700523 KOUVWNDBAIKPSS-VIFPVBQESA-N 308.294 -0.102 5 10 DBBE C[C@@H]1OCC[C@]1(O)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1618088639 AVLLRDRBALRSRN-ZANVPECISA-N 311.294 -0.587 5 10 DBBE CNC(=O)[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1630403582 JTIFAMXHEVDAHX-SECBINFHSA-N 308.294 -0.649 5 10 DBBE CCS(=O)(=O)CCCN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1714966332 DXMZULNNFFWZTI-GHMZBOCLSA-N 319.383 -0.723 5 10 DBBE O=C(NC1(CCO)CN(Cc2ccccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1717503938 PUOYHEYXIKZGCX-CHWSQXEVSA-N 320.349 -0.200 5 10 DBBE C[S@@](=O)(CCN)=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 1924738198 IOKLMLGTYMHHTR-LJQANCHMSA-N 322.368 -0.070 5 10 DBBE Nc1ncnc(N2CC(NC(=O)C(F)(F)F)C2)c1[N+](=O)[O-] 1962054194 CMWSKBNMCJYOFC-UHFFFAOYSA-N 306.204 -0.166 5 10 DBBE C[C@@H](C(=O)NC1CC1)n1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156815931 JXZPRIBJEBMPKA-YFKPBYRVSA-N 303.300 -0.722 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@H]1CCN(C)C1 2156821905 WGMDOVNDCYVYDD-QMMMGPOBSA-N 303.344 -0.301 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@H](O)C[C@@H]2O)cn1 2164981109 QTOBEWHHXFQMSZ-ZQARSLAVSA-N 303.296 -0.848 5 10 DBBE C[S@](=O)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)C1 2171957139 OFWQJROMMNGSTJ-IBGZPJMESA-N 319.364 -0.072 5 10 DBBE Cc1nc([N+](=O)[O-])c(N[C@H]2COC[C@@H]2S(C)(=O)=O)n1C 2207482707 MHIDLVIWOWPIQV-YUMQZZPRSA-N 304.328 -0.139 5 10 DBBE NNc1cc(N[C@H]2CS(=O)(=O)C[C@@H]2O)ccc1[N+](=O)[O-] 2234460424 BMLABGMXOAMSFK-WPRPVWTQSA-N 302.312 -0.550 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@](C)(F)CN)n1 2240624281 UTTJIGQPZYFYIE-SECBINFHSA-N 309.323 -0.565 5 10 DBBE COc1ccc([N+](=O)[O-])c(NCC2(O)CS(=O)(=O)C2)n1 2283074136 OLFIVTNHTRKYJT-UHFFFAOYSA-N 303.296 -0.430 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](N)[C@H](C)O 80749049 UWVYPZQJEDRUAD-CBAPKCEASA-N 319.339 -0.410 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCCNC(=O)C2)c([N+](=O)[O-])c1 87887073 MCAVUHADGOFKHL-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE CO[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 262088638 CFIFIZGABGUJCN-SFYZADRCSA-N 312.282 -0.049 5 10 DBBE CN(CCCO)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 302483640 RFFRZYVFATYEMV-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE COc1ncnc(NCCCCS(N)(=O)=O)c1[N+](=O)[O-] 312485013 OZKCNJPWQRADAY-UHFFFAOYSA-N 305.316 -0.126 5 10 DBBE COC(=O)c1cnc(N2CCC(CO)(CO)C2)c([N+](=O)[O-])c1 596507052 ZMLUXDPUFZAAPI-UHFFFAOYSA-N 311.294 -0.043 5 10 DBBE O=C(NC[C@@H]1CNC[C@H]1O)c1cc(Cl)ncc1[N+](=O)[O-] 702810380 BVMUKUIATUATMD-IMTBSYHQSA-N 300.702 -0.047 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCNC[C@H]2O)c1 710423774 WTCSTKAVVPAQGZ-WDEREUQCSA-N 301.324 -0.404 5 10 DBBE C[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N1CCNC1=O 772061753 YPWGTIIDFFGVNS-LURJTMIESA-N 311.254 -0.575 5 10 DBBE O=Cc1ccc(OCC(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 1455993498 UQZUQXIFRMUAQB-YHPBZONMSA-N 324.289 -0.214 5 10 DBBE Cc1nnccc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1506153889 IMQIBULOVJXPNR-GHMZBOCLSA-N 319.321 -0.171 5 10 DBBE NC(=O)C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1586957390 YNJNVOINDXKOOK-UHFFFAOYSA-N 308.294 -0.520 5 10 DBBE CNC(=O)CN1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 1645056720 HBAKZTVQVYQIKE-UHFFFAOYSA-N 324.341 -0.480 5 10 DBBE O=C(CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccon1 1716681212 LNEHGNBSYJLNAH-RKDXNWHRSA-N 323.309 -0.483 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cnoc1 1759558226 VBGBWMQSCOYOBM-GHMZBOCLSA-N 310.310 -0.201 5 10 DBBE N[C@H]1COCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 2152193017 WWLWCHYIPYVSLX-SECBINFHSA-N 301.324 -0.057 5 10 DBBE CS(=O)(=O)c1cccc(O[C@@H](CN)C(N)=O)c1[N+](=O)[O-] 2176306540 BGOSJVWRBSYDJA-ZETCQYMHSA-N 303.296 -0.810 5 10 DBBE Cc1[nH]c(=N)[nH]c(=N[C@@H]2C[P@](C)(=O)C[C@H]2O)c1[N+](=O)[O-] 2177951770 JITGKWIKDATYPY-VYSJLUBLSA-N 301.243 -0.324 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC(CO)CO 2179742562 IYDJTEPSLKJDCZ-UHFFFAOYSA-N 308.287 -0.387 5 10 DBBE CS(=O)(=O)N1CC(CNc2cc([N+](=O)[O-])cc(=N)[nH]2)C1 2233069313 CTCVUKWBCCJXDT-UHFFFAOYSA-N 301.328 -0.294 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 157575991 PMSBSUPHFJNGAM-SCSAIBSYSA-N 308.341 -0.349 5 10 DBBE CNC(=O)[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(C)C 178452652 UAKYNKGEXBDVLY-JTQLQIEISA-N 312.330 -0.139 5 10 DBBE CCN1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 567375970 RGOBNQFMKPIUEB-UHFFFAOYSA-N 321.337 -0.116 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(CCO)C(C)(C)C2)n1 614895500 VKUIBEXMPXYIIM-UHFFFAOYSA-N 311.342 -0.143 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccc([N+](=O)[O-])c(N)n1 697270016 MQTYPZFNEQPZIJ-POYBYMJQSA-N 302.312 -0.204 5 10 DBBE Cc1nc(NC[C@]2(O)CCS(=O)(=O)C2)ncc1[N+](=O)[O-] 1307120412 QIMGOIXETSATLU-SNVBAGLBSA-N 302.312 -0.345 5 10 DBBE Cc1ccnn1CC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1355592557 ZIMXSXBPMLDBCB-GHMZBOCLSA-N 309.326 -0.569 5 10 DBBE COCCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1493752859 BIFSDJWBEOCHJI-NNYUYHANSA-N 311.338 -0.110 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnnn1C 1566550625 OSJJFUJIXSERJD-VXGBXAGGSA-N 310.358 -0.192 5 10 DBBE CN1CC2(CN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)OC1=O 1626772852 QIUGXARMLYIWSJ-UHFFFAOYSA-N 307.266 -0.151 5 10 DBBE C[S@@](=O)CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1635500091 MNVZFFWBELKGFD-HXUWFJFHSA-N 301.324 -0.359 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)c1 1689059198 YOGHFVPMDVLDJH-GHMZBOCLSA-N 309.326 -0.384 5 10 DBBE Cc1cnn(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 1689582913 NYNGVPPPGJBDTL-GHMZBOCLSA-N 321.337 -0.378 5 10 DBBE Cc1ncc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 1699913499 YSCJYMJRNDXOSF-VXGBXAGGSA-N 321.337 -0.887 5 10 DBBE O=C1NOC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 2148981681 OHTJAFSQGVNBNS-SSDOTTSWSA-N 321.698 -0.044 5 10 DBBE O=C(NC1(C(=O)O)CNC1)c1cc(Cl)ncc1[N+](=O)[O-] 2152326280 OYADBGBMOJLDRR-UHFFFAOYSA-N 300.658 -0.200 5 10 DBBE Cc1c[nH]nc1Cn1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C 2156806889 HVPBASHKXMRBNH-UHFFFAOYSA-N 300.300 -0.173 5 10 DBBE CCN1CC[C@@H](n2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)C1=O 2156826368 VQTSPMVQLRRUMH-ZCFIWIBFSA-N 303.300 -0.768 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2C[C@H]3C[C@H]3CO2)nc1[N+](=O)[O-] 2179428056 LSKGTAUSQHCOIV-CSMHCCOUSA-N 302.312 -0.136 5 10 DBBE Nc1cc(NCCCNS(N)(=O)=O)c(F)cc1[N+](=O)[O-] 2183885864 WYQIBQIACYPQII-UHFFFAOYSA-N 307.307 -0.089 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2289384628 FRZCWUDQUXDQQQ-NRPADANISA-N 302.308 -0.558 5 10 DBBE O=Cc1cc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])s1 2289402523 IEGSUQVSVBCMKD-WHFVKQHSSA-N 302.308 -0.381 5 10 DBBE CO[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 36265003 HBNUOOWDNPUSNZ-KCJUWKMLSA-N 317.323 -0.435 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nnn[nH]2)c(F)c1 44930740 HSWJDMQLWLPCAI-UHFFFAOYSA-N 302.247 -0.275 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1[N+](=O)[O-] 61712730 YQSLSROJXHGRJW-SSDOTTSWSA-N 302.312 -0.364 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@@H](O)CO)c([N+](=O)[O-])c1 90281218 UOOMMWUDXOLLQR-SSDOTTSWSA-N 306.296 -0.765 5 10 DBBE NNc1ccc(S(=O)(=O)NCCOC(N)=O)cc1[N+](=O)[O-] 135246882 CUIVZJKECPRSLS-UHFFFAOYSA-N 319.299 -0.746 5 10 DBBE CN(CC(=O)NC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 173502692 MQDYLVMANYATSG-NSHDSACASA-N 313.358 -0.001 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN2CCN1CC2 185565212 MHYURWLKHXIAJA-SNVBAGLBSA-N 306.326 -0.698 5 10 DBBE COC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN)C1 312304958 TVLDZVKYJUQNMH-UHFFFAOYSA-N 302.312 -0.100 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@H](N)C2)n1 599101205 MVFDNXKTPNKNON-YUMQZZPRSA-N 303.344 -0.124 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCO1 599286594 CPXVDDPFHSWVQU-VIFPVBQESA-N 303.296 -0.017 5 10 DBBE CC(C)[C@H](CO)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599307468 OASQWWIOORYVQU-QMMMGPOBSA-N 306.344 -0.129 5 10 DBBE C[C@H](C[S@](C)=O)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1138185317 FNQHAAXAILLHNN-SQFXPLBJSA-N 301.324 -0.360 5 10 DBBE COC(=O)c1cc(C(=O)N2CC(CO)(CO)C2)cc([N+](=O)[O-])c1 1154594116 DNJSNWQGEXIVCD-UHFFFAOYSA-N 324.289 -0.192 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(OCC(N)=O)CC2)n1 1294076703 AUBAEZCWLRGMQX-UHFFFAOYSA-N 311.298 -0.565 5 10 DBBE Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(CO)COCCN1 1302504075 OUNLWSYBXWUMLW-ZDUSSCGKSA-N 310.310 -0.742 5 10 DBBE COC(=O)C1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 1307232191 YWGOSKVOSRZXRJ-UHFFFAOYSA-N 315.307 -0.149 5 10 DBBE CN(CCNC(=O)Cn1ncnn1)Cc1ccccc1[N+](=O)[O-] 1317446021 REOUARNGAOINFB-UHFFFAOYSA-N 319.325 -0.171 5 10 DBBE COC[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)OC 1466394447 UAMCGBMWWLQGPJ-QMMMGPOBSA-N 313.266 -0.939 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NCCS(=O)(=O)C1CC1 1536239848 AXOIEBSXPZFTAV-UHFFFAOYSA-N 302.312 -0.515 5 10 DBBE CN(CCNC(=O)CCc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1580838826 VBRVIVBNCKYUBV-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE Cc1ccc([N+](=O)[O-])c(N2CCN3[C@@H](CNS3(=O)=O)C2)n1 1612963296 OCCPZGPOKLELEV-VIFPVBQESA-N 313.339 -0.363 5 10 DBBE CC(=O)NCC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1626625568 GQUZFGLSACGPQK-UHFFFAOYSA-N 310.314 -0.439 5 10 DBBE NS(=O)(=O)NCCNC(=O)Cc1cccc([N+](=O)[O-])c1 2157537433 PTRJZFXOQDHGJT-UHFFFAOYSA-N 302.312 -0.953 5 10 DBBE CCS(=O)(=O)NCCN=c1nc(OC)c([N+](=O)[O-])c[nH]1 2157680701 RPWPEXXLCWTESK-UHFFFAOYSA-N 305.316 -0.834 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC1(CO)CC(O)C1 2193967906 GBYNTKMPPFGRCM-UHFFFAOYSA-N 302.308 -0.241 5 10 DBBE CO[C@H]1CNC[C@@H]1S(=O)(=O)Nc1ncccc1[N+](=O)[O-] 2202433281 FSMVTYXKMFCGPZ-IUCAKERBSA-N 302.312 -0.282 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@](O)(CO)[C@H](O)C1 2234099665 FMUNKWWDMYGSTB-XCBNKYQSSA-N 304.690 -0.667 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)[C@H]2C[C@@H](CO)C2)n1 2240653646 JBGXNEPBOMYDNM-OCAPTIKFSA-N 304.328 -0.481 5 10 DBBE NNc1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1[N+](=O)[O-] 126821570 ONKKOIIMEUGMDS-SSDOTTSWSA-N 302.312 -0.052 5 10 DBBE CNS(=O)(=O)CCNc1cc(C(N)=O)ccc1[N+](=O)[O-] 231004176 RINAKRBLWTWEMN-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE NNc1cc([N+](=O)[O-])cc(N2CCCS(=O)(=O)CC2)n1 236175262 QQVIJAIBXFHINU-UHFFFAOYSA-N 301.328 -0.100 5 10 DBBE COC[C@@](C)(O)CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 582296688 RHYZXJCUYVFMRD-NEPJUHHUSA-N 302.331 -0.471 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N[C@H]2CNC[C@@H]2O)c1 699963003 POZLBGBRMNQKCA-IUCAKERBSA-N 305.287 -0.655 5 10 DBBE CC[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC 1299427244 WFHYKZVHDYBALZ-LLVKDONJSA-N 322.321 -0.035 5 10 DBBE C[C@H](N)[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 1334933986 LCUOOLXRISZJNH-IONNQARKSA-N 319.343 -0.935 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCCOC1CCOCC1 1339449848 WZQMUPHYORVKGL-UHFFFAOYSA-N 313.314 -0.112 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC(=O)CN1CCCCC(=O)C1=O 1459301673 VQSOZLYTKGAZFL-UHFFFAOYSA-N 309.282 -0.152 5 10 DBBE COC(=O)[C@H]1COCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1465600763 CUDSKZWMQUOQNM-RXMQYKEDSA-N 318.673 -0.015 5 10 DBBE CN(C)c1noc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1569400633 UDTPNLLKKRWUDE-RKDXNWHRSA-N 324.341 -0.461 5 10 DBBE Cc1cnn(CC(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1576827323 YLVWHRJSAPCYPM-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE O=C(O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(O)O 1866091824 CNAPWKJPLFRPBL-ZETCQYMHSA-N 314.250 -0.426 5 10 DBBE N[C@H]1COC[C@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2149990007 YMVAYGNSACOUBL-VHSXEESVSA-N 301.324 -0.260 5 10 DBBE Cn1cc([N+](=O)[O-])c(=NC2C[C@H]3CS(=O)(=O)C[C@@H]3C2)[nH]1 2161135120 IYCFQUFRPGKZTL-YUMQZZPRSA-N 300.340 -0.015 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CO)COC1 2189265408 ZVZVIWWECIFPLD-UHFFFAOYSA-N 302.308 -0.057 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCO1 2189561046 BJHBOLMAMVOKKH-QMMMGPOBSA-N 302.312 -0.052 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 2192676032 JMNLFRQTLKWVPG-BDAKNGLRSA-N 302.312 -0.962 5 10 DBBE Cn1cc([N+](=O)[O-])c(CS(=O)(=O)CC[C@@H](N)C(=O)O)n1 2195339599 LHNSMVLVDQDVNJ-ZCFIWIBFSA-N 306.300 -0.955 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1Nc1ncc([N+](=O)[O-])c(=N)[nH]1 2207472798 YZXVRFZUMHSLMX-FSPLSTOPSA-N 303.300 -0.979 5 10 DBBE O=C(O)C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 313065286 JELDTILHPLZMPA-UHFFFAOYSA-N 304.236 -0.589 5 10 DBBE CS(=O)(=O)NCCCNC(=O)c1ccc([N+](=O)[O-])cn1 532397793 SBQBBPHNYVZCAZ-UHFFFAOYSA-N 302.312 -0.341 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H](O)C2(C)C)n1 599280031 ABSYOCXYJWJZAN-JGVFFNPUSA-N 304.328 -0.234 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCS(=O)(=O)C2)n1 1136799311 MKVHDIWTULAMOI-ZETCQYMHSA-N 302.312 -0.365 5 10 DBBE Cn1cc(CN2CCO[C@@H](CS(C)(=O)=O)C2)c([N+](=O)[O-])n1 1473842051 SJYMBFXXIPXZFM-SNVBAGLBSA-N 318.355 -0.426 5 10 DBBE CNS(=O)(=O)C1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 1618207466 BUQAIGBXZUFYGV-UHFFFAOYSA-N 317.371 -0.158 5 10 DBBE O=C1CC[C@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)N1 1629293288 MEXRZVJUIWQMOR-SNVBAGLBSA-N 319.321 -0.083 5 10 DBBE Cc1nc([N+](=O)[O-])cn1[C@@](C)(C(=O)O)C1CS(=O)(=O)C1 2146791851 NYGKATLMEZZCIE-SNVBAGLBSA-N 303.296 -0.056 5 10 DBBE N[C@@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2154387292 ATDPKBXBTUYEAQ-QOLSBQFWSA-N 320.352 -0.123 5 10 DBBE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ncnc(N)c1[N+](=O)[O-] 2170281850 CICOYAVDZNLKRD-NKWVEPMBSA-N 301.328 -0.021 5 10 DBBE C[C@H]1CN(S(=O)(=O)Nc2ncccc2[N+](=O)[O-])CCN1 2202433893 MKGYJLVUXXSBIJ-QMMMGPOBSA-N 301.328 -0.060 5 10 DBBE NNc1cccc(CN2CCCNS2(=O)=O)c1[N+](=O)[O-] 2236891498 CFCHEXBNYNVTKM-UHFFFAOYSA-N 301.328 -0.080 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NC[C@H]2[C@@H]3CS(=O)(=O)C[C@H]23)[nH]1 2239199144 XMBVIRINXCLOCN-PSVAKVPMSA-N 300.340 -0.064 5 10 DBBE Nc1[nH]c(=NCCN2CCCS2(=O)=O)ccc1[N+](=O)[O-] 405348528 XJBGGBBXGJKFLP-UHFFFAOYSA-N 301.328 -0.559 5 10 DBBE CN(C)CCN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O 593234766 HPJKXSMGEUJWQL-UHFFFAOYSA-N 324.341 -0.826 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)[C@H](O)CO 698921861 XENKIKDUDYXMEI-QUBYGPBYSA-N 308.287 -0.246 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@@H]2CNC[C@H]2O)cc1[N+](=O)[O-] 699919865 XLGSQYMIRDXRFT-MWLCHTKSSA-N 301.324 -0.486 5 10 DBBE CN([C@H]1COC[C@H]1O)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 708203195 QLWHXRLCTGIZJR-NKWVEPMBSA-N 323.352 -0.381 5 10 DBBE C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)S1=O 1116747098 FFNVJDMNYJDGDH-YUMQZZPRSA-N 301.328 -0.446 5 10 DBBE COC(=O)c1cc(C(=O)N2C[C@H](O)[C@@H](CO)C2)cc([N+](=O)[O-])c1 1161337268 YSEDYLOZTQGXTK-PWSUYJOCSA-N 324.289 -0.193 5 10 DBBE Cc1nn(C)c(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 1182303663 ZZJJIIKTMBBGTE-MRVPVSSYSA-N 316.339 -0.199 5 10 DBBE COC(=O)[C@@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCO1 1292910803 OQMCMLBAGOQZLX-YFKPBYRVSA-N 318.673 -0.015 5 10 DBBE CN1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC1=O 1628281737 VQDZRWLGRPBGIH-VIFPVBQESA-N 308.294 -0.507 5 10 DBBE O=C(CN1CCCC1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705266259 VZVMGHDJUJVAHC-GHMZBOCLSA-N 310.354 -0.488 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])C(=O)N1C[C@@H](O)C[C@H]1C(=O)O 1866349462 WLQQSLRUMLWZOJ-ONGXEEELSA-N 322.273 -0.247 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[C@@H](O)CO 1963621615 LRDQQBFMACAIOC-SSDOTTSWSA-N 308.287 -0.245 5 10 DBBE NC[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2154118402 IHUDUSNQHQMIRA-KCJUWKMLSA-N 301.324 -0.153 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1(CO)COC1 2189263617 HFSISCGDHZVDSJ-UHFFFAOYSA-N 302.308 -0.057 5 10 DBBE CNC(=O)COc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-] 215873390 AWEOKBXNRSYBCQ-UHFFFAOYSA-N 307.259 -0.494 5 10 DBBE O=C(C[C@@H]1NC(=O)NC1=O)NCCc1ccccc1[N+](=O)[O-] 343312884 RAWBLDHERFIILK-VIFPVBQESA-N 306.278 -0.148 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)s1 576173287 LCWZZHUISSNZLV-RQJHMYQMSA-N 308.337 -0.370 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593541580 CQOXHCYWGCCANO-SSDOTTSWSA-N 300.296 -0.501 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1=O 593585082 KNAWARDDUANNNT-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE CCN(C(=O)Cn1ncc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 863374994 HICFACCBLKMFDC-MRVPVSSYSA-N 317.327 -0.778 5 10 DBBE O=C(c1cnon1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941012891 RKGHUGCOPGVNHU-PSASIEDQSA-N 309.282 -0.591 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC(O)(c3ccnn3C)C2)n1 1175624938 AKNKRHIKTSRYFN-UHFFFAOYSA-N 306.282 -0.595 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)n1 1290539691 CAAAXYNMYDHJCT-UHFFFAOYSA-N 322.281 -0.858 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnns1 1298284990 QJBKNQCPBVFLLF-XLNBVVSQSA-N 311.323 -0.395 5 10 DBBE CCc1cnc(CC(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 1528337051 VUTXQKXBKIUELG-GHMZBOCLSA-N 323.353 -0.246 5 10 DBBE O=C(/C=C/CN1CCOCC1)NCCn1cc([N+](=O)[O-])cn1 1545543308 XCEKGSUCWHWGEB-OWOJBTEDSA-N 309.326 -0.204 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](CO)CC[C@H]1CO 1557227315 RNWUULFDUPKNIS-QWRGUYRKSA-N 312.326 -0.166 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(CC(F)(F)CO)CC1 1557265912 HHKSUSBDEIDACT-UHFFFAOYSA-N 319.268 -0.297 5 10 DBBE O=C1NCCn2c(CCNc3ncccc3[N+](=O)[O-])nnc21 1559279660 ZDKBBGAJBYBXHZ-UHFFFAOYSA-N 303.282 -0.021 5 10 DBBE COC(=O)[C@]1(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](O)C1 1644331918 OUEAWENSZJDVPH-GYSYKLTISA-N 324.289 -0.189 5 10 DBBE O=C1CN(C2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)CCN1 1889939663 MFUGLUZENFYEGB-UHFFFAOYSA-N 322.296 -0.010 5 10 DBBE Cn1cc(C(=O)N2CCS(=O)(=O)CC2)cc([N+](=O)[O-])c1=O 1890972976 PHIQAZYVHIGBDO-UHFFFAOYSA-N 315.307 -0.836 5 10 DBBE CN(C1COC1)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 1915669825 OPVOLISVVSXNEV-UHFFFAOYSA-N 308.341 -0.039 5 10 DBBE Cn1ncc([N+](=O)[O-])c1OCC[C@@H]1CNCCS1(=O)=O 1916433716 GRLZYPYHQXWSBL-MRVPVSSYSA-N 304.328 -0.516 5 10 DBBE Cc1[nH]c(=N)[nH]c(=N[C@@H](C)C2CS(=O)(=O)C2)c1[N+](=O)[O-] 2146088199 RQEYNLCBFORSQD-YFKPBYRVSA-N 301.328 -0.627 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CCOC[C@H]1[C@H](O)CO 2146323346 KPXFCDHWNCDMFV-VHSXEESVSA-N 304.324 -0.293 5 10 DBBE N=c1nc(N2CCC[C@@H]2CS(N)(=O)=O)c([N+](=O)[O-])c[nH]1 2146419293 PZMVLZSDHOCERN-ZCFIWIBFSA-N 302.316 -0.945 5 10 DBBE NNc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC(CO)C1 2148958665 PQBFCAFBDWVWQB-UHFFFAOYSA-N 302.312 -0.507 5 10 DBBE Cc1[nH]c(=N)[nH]c(=N[C@@H](C)[C@@H](C)S(C)(=O)=O)c1[N+](=O)[O-] 2170592527 AAWWOHLXELSNGX-CAHLUQPWSA-N 303.344 -0.239 5 10 DBBE CN=c1nc(N=[S@@]2(=O)CC[C@H](N)C2)c([N+](=O)[O-])c(C)[nH]1 2173937313 ZLDJOYDTARHUHR-SVWIBVJCSA-N 300.344 -0.013 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CNCC[C@H]2O)c1 2183273165 ZPWDCXUCDUPXDK-GHMZBOCLSA-N 301.324 -0.404 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Oc2ncnc(N)c2[N+](=O)[O-])C1 2285599617 JOLDOOVPZDVYQF-ZCFIWIBFSA-N 303.300 -0.620 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)N(C)C 30497734 URBOWOWSVJSRFY-UHFFFAOYSA-N 317.323 -0.030 5 10 DBBE CNCc1ccc(O[C@@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c1 37703135 CKGFURDUDDHVAN-CMPLNLGQSA-N 316.335 -0.149 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](CO)C2)c1 165827287 OODFKMNFMYTNFJ-MRVPVSSYSA-N 316.339 -0.117 5 10 DBBE C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@](O)(C(N)=O)C1 276448843 MMLSNEHUEZDJEK-YMTOWFKASA-N 322.321 -0.156 5 10 DBBE C[C@@H]1[C@H](Nc2ncnc(NN)c2[N+](=O)[O-])CCS1(=O)=O 312912446 BBBODJCNXDOYKZ-PHDIDXHHSA-N 302.316 -0.342 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)nc1 595109838 VATLCFHNSQUCOU-VIFPVBQESA-N 302.312 -0.744 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2(CN)CC2)n1 599103124 VMHMBMDXCSCCEX-UHFFFAOYSA-N 303.344 -0.264 5 10 DBBE C[C@H](O)[C@@H](O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 717402085 ORWMQSIRMDPBBJ-KWQFWETISA-N 304.324 -0.244 5 10 DBBE O=C1C[C@]2(NC(=O)Cn3cnc([N+](=O)[O-])n3)CCCC[C@@H]2N1 1134946861 YAZMGQFSLHUXAC-QPUJVOFHSA-N 308.298 -0.496 5 10 DBBE COC(=O)c1cc(C)nc(N2C[C@@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] 1145089509 XPNRWWXLXJNTAY-PSASIEDQSA-N 311.294 -0.126 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CCCOCC1 1296677254 LKIUXMXVMPDHCG-UHFFFAOYSA-N 311.342 -0.062 5 10 DBBE CS(=O)(=O)C[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 1298395253 IKHXBXFAQYWFOY-SSDOTTSWSA-N 302.312 -0.175 5 10 DBBE CC(C)(CCC(=O)N1CCN2CCOC[C@@]2(CO)C1)[N+](=O)[O-] 1347432655 JKQXUBDYKBEMFD-AWEZNQCLSA-N 315.370 -0.273 5 10 DBBE NC(=O)c1cc(N2CC3(C[C@H](O)CNC3=O)C2)ccc1[N+](=O)[O-] 1472877741 BYXWUZMQYXLKIR-VIFPVBQESA-N 320.305 -0.619 5 10 DBBE O=C(NC1(CCO)CN(Cc2ncccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1485405576 PCNPHNLYWDWRAD-GHMZBOCLSA-N 321.337 -0.805 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCc1cnn(C)n1 1534367630 RBRUKJPURMUZPG-UHFFFAOYSA-N 307.314 -0.023 5 10 DBBE CN(C)S(=O)(=O)N1CC(Nc2c([N+](=O)[O-])cnn2C)C1 1651302118 WYOFHWLMKMMNHN-UHFFFAOYSA-N 304.332 -0.769 5 10 DBBE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC2(CO)CNC2)c1 1918430405 XMWDGRCPAFVPNM-UHFFFAOYSA-N 321.742 -0.139 5 10 DBBE Cc1cc(C(=O)NCCNS(N)(=O)=O)cc([N+](=O)[O-])c1 2157537469 QFZFCFYSBMJOMZ-UHFFFAOYSA-N 302.312 -0.574 5 10 DBBE CCS(=O)(=O)NC1CN(c2[nH]c(=N)ccc2[N+](=O)[O-])C1 2165562258 BGFNOOJUZYBWIH-UHFFFAOYSA-N 301.328 -0.470 5 10 DBBE O=C(O)[C@H](Nc1cc([N+](=O)[O-])ccn1)C1CS(=O)(=O)C1 2197527588 ZQBBSGMJZORZKY-SECBINFHSA-N 301.280 -0.101 5 10 DBBE O=C(N[C@H]1C[C@@H](CO)[C@H](O)[C@@H]1O)c1cc([N+](=O)[O-])cs1 2355675794 XYTCRXZLETVSLP-ZGDSCGAWSA-N 302.308 -0.511 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1COC[C@H]1O 323476107 KWFYESNHGVVLFX-IONNQARKSA-N 306.271 -0.228 5 10 DBBE CS(=O)(=O)N1CC[C@H](Nc2cc([N+](=O)[O-])cc(=N)[nH]2)C1 400141113 WPYJHXWMAXOEIL-ZETCQYMHSA-N 301.328 -0.152 5 10 DBBE O=C1C[C@@]2(CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CN1 408247250 NALDVVXLYVVIGJ-ZDUSSCGKSA-N 307.310 -0.080 5 10 DBBE O=C(CC1OCCO1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851329459 MJWLMCFFUFMLBB-UHFFFAOYSA-N 317.279 -0.442 5 10 DBBE CC(=O)N1CCN(Cc2cn(CC(C)(C)[N+](=O)[O-])nn2)CC1 887423323 RSUGFDLNXMSUPF-UHFFFAOYSA-N 310.358 -0.003 5 10 DBBE CCc1c(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nnn1CC 1292718747 SRDKHNYVNJYWLW-PSASIEDQSA-N 324.341 -0.628 5 10 DBBE Cc1cn(CC(=O)N[C@H]2CCS(=O)(=O)C2)nc1[N+](=O)[O-] 1322685420 FFPFKPQODNMBOB-QMMMGPOBSA-N 302.312 -0.597 5 10 DBBE COc1cccnc1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1355785421 AQZXDBOAJAGQKV-NXEZZACHSA-N 322.321 -0.056 5 10 DBBE CN(C)C(=O)c1c[nH]nc1NC(=O)Cn1cc([N+](=O)[O-])cn1 1471782125 XRBAUGQIJIRSRM-UHFFFAOYSA-N 307.270 -0.145 5 10 DBBE CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(CCNC(=O)C2CC2)C1 1483863284 SLUMMPGWBFLAOX-VXGBXAGGSA-N 310.354 -0.680 5 10 DBBE CN(C)C[C@]1(O)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 1558042534 DIDQPUJPLJLDKY-CYBMUJFWSA-N 309.326 -0.289 5 10 DBBE CCn1cnc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1583311125 PZUDDXVLJLBFQK-YZKQYGISSA-N 321.337 -0.030 5 10 DBBE CC1(C)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[S@]1=O 1640764613 BUVVKKUBIPNVDT-OAQYLSRUSA-N 315.355 -0.054 5 10 DBBE CNS(=O)(=O)c1ccc(S(=O)(=O)NC)c([N+](=O)[O-])c1 2118651377 SQKMUKZCFAHYAF-UHFFFAOYSA-N 309.325 -0.589 5 10 DBBE Cc1cc(S(=O)(=O)NC(CN)CN)cc([N+](=O)[O-])c1F 2162382260 VWSZBSMJMFJAFG-UHFFFAOYSA-N 306.319 -0.393 5 10 DBBE Cc1[nH]c(=N)[nH]c(=N[C@H](C)[C@H](C)S(C)(=O)=O)c1[N+](=O)[O-] 2170592530 AAWWOHLXELSNGX-VDTYLAMSSA-N 303.344 -0.239 5 10 DBBE Cc1c(Br)cn(C[C@@H](N)C(N)=O)c(=O)c1[N+](=O)[O-] 2317206734 AURVYVWANHNGJG-ZCFIWIBFSA-N 319.115 -0.360 5 10 DBBE O=C(O)c1ccc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@H]2O)c1 50517654 VDGFIRBYBVKTKN-SCZZXKLOSA-N 317.275 -0.170 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1=O 84206223 LOJMXTABZODRPK-UHFFFAOYSA-N 315.307 -0.237 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)n1 599267464 XKASVEWVVJQGNF-ZKCHVHJHSA-N 304.328 -0.090 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(c2ccnc(O)c2[N+](=O)[O-])C1 1118589525 KENPSQQEGFNQEZ-ZETCQYMHSA-N 302.312 -0.177 5 10 DBBE O=C1C[C@]2(CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CN1 1322285534 CIZBSDANNLTDAO-WCQYABFASA-N 309.326 -0.636 5 10 DBBE NS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 1443868980 NYHALXLECZVNTL-MWLCHTKSSA-N 311.319 -0.112 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C2CN(C)C2)CC1 1520660925 UYJNTOYKZDDWSS-UHFFFAOYSA-N 322.369 -0.442 5 10 DBBE Cc1nn(C)c(NC[C@]2(O)CCS(=O)(=O)C2)c1[N+](=O)[O-] 1559191411 LDSFOAHOPDSETK-SNVBAGLBSA-N 304.328 -0.402 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2C[C@H]3COC[C@@H]3O2)c1=O 1613452373 NVMRWGFTNMNKET-ARENWVFISA-N 309.278 -0.341 5 10 DBBE NC(=O)[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C(N)=O 1643814466 LNKCLIWNXXIMEY-NXEZZACHSA-N 310.285 -0.248 5 10 DBBE CO[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@](C)(CO)C1 1644128924 JWQHHDDXWABVKD-RWMBFGLXSA-N 314.342 -0.376 5 10 DBBE CN1CCOC[C@]1(CO)CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 1652236946 XCWLHQZEZQVRTK-CQSZACIVSA-N 324.337 -0.201 5 10 DBBE NS(=O)(=O)C1CN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1 1654698926 UJAXXKBDSKYCQH-UHFFFAOYSA-N 311.323 -0.056 5 10 DBBE Cc1ccnc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1689582586 AYURCPRSKPLXES-NXEZZACHSA-N 319.321 -0.171 5 10 DBBE CN(CCNC(=O)CCc1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704212914 QHWJMOQFCXCEFT-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE NC(=O)CC(=O)NCC1(O)CN(Cc2cccc([N+](=O)[O-])c2)C1 1716934292 MCTYVMGFNYREPH-UHFFFAOYSA-N 322.321 -0.867 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cccc(=O)n1C 1721079295 OCZHFILECSRARS-MWLCHTKSSA-N 322.321 -0.761 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cn(C)nn1 1737797722 LXGDFXNTYYUYDL-PSASIEDQSA-N 310.314 -0.941 5 10 DBBE O=C(CCc1cnc[nH]1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758171561 HKDPHWJHVDUHQL-GHMZBOCLSA-N 309.326 -0.370 5 10 DBBE Cn1cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc([N+](=O)[O-])c1=O 1889912195 HVJUZGDXJNOJQX-SECBINFHSA-N 320.305 -0.213 5 10 DBBE NC(=O)N1CC(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)C1 1917787802 QPMYDQZGVJJMSS-UHFFFAOYSA-N 321.340 -0.720 5 10 DBBE CCc1nn(C)c(NC[C@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 1965606405 FDTXTTQJMSRSJW-SSDOTTSWSA-N 303.344 -0.006 5 10 DBBE C[C@@](N)(CO)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2181129238 LPERZAZAOVSEFE-JTQLQIEISA-N 307.303 -0.278 5 10 DBBE O=[N+]([O-])c1ccc(CN2CCS(=O)(=O)CC23CNC3)o1 2183486820 QBZUHQGAIQIXAC-UHFFFAOYSA-N 301.324 -0.240 5 10 DBBE CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)N1CC(N)C1 2191536930 VKSFTTUMPSDGPL-UHFFFAOYSA-N 300.340 -0.086 5 10 DBBE CCCc1ncc([N+](=O)[O-])c(=NC[C@H](C)S(N)(=O)=O)[nH]1 2286670208 RIPMVBZNQYBQSW-ZETCQYMHSA-N 303.344 -0.152 5 10 DBBE NS(=O)(=O)CCN=c1[nH]c(C2CCC2)ncc1[N+](=O)[O-] 2286670798 WFXGAMBVFVSADP-UHFFFAOYSA-N 301.328 -0.225 5 10 DBBE Nc1cc(S(=O)(=O)NCCn2ccnn2)ccc1[N+](=O)[O-] 128085552 NFCIEOWOZAIVPE-UHFFFAOYSA-N 312.311 -0.253 5 10 DBBE CNC(=O)NC[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCO1 599127215 FGDKHAIVTAJVLT-MRVPVSSYSA-N 310.314 -0.294 5 10 DBBE CN(c1ccn(C)n1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599278482 DWGAVDJTKHIZPT-UHFFFAOYSA-N 300.300 -0.113 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CNC[C@H]1O 699914117 UIMLQSVUKWIRML-NXEZZACHSA-N 301.324 -0.486 5 10 DBBE N[C@H]1CCOC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 721846599 RFMNUNVMVIMCNK-QWRGUYRKSA-N 301.324 -0.011 5 10 DBBE N[C@H]1CCOC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 721919633 IGGCEWLQASMLLK-DTWKUNHWSA-N 302.312 -0.616 5 10 DBBE C[C@H](N)[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 1334933985 LCUOOLXRISZJNH-CBAPKCEASA-N 319.343 -0.935 5 10 DBBE O=C(CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)NC1CC1 1493370072 CKSLOTIOBBYDFT-VXGBXAGGSA-N 310.354 -0.489 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccnnc1 1496739696 NJCVNAMATKFZHK-GHMZBOCLSA-N 307.310 -0.280 5 10 DBBE Cc1cc(O)ncc1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1528110184 GQAFRRZGKWOKMX-MWLCHTKSSA-N 322.321 -0.051 5 10 DBBE O=C(NC1(CNC(=O)C23CCN(CC2)C3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1585075837 FMWFJZYHYOEKDI-GHMZBOCLSA-N 322.365 -0.488 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 1643797129 PDJHTZWBWJKOBH-GMSGAONNSA-N 312.282 -0.066 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCn1nc(C)nc1C 1663381574 LBLGNQAUKKXRSN-CHWSQXEVSA-N 324.385 -0.002 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CCOC[C@H]1[C@@H](O)CO 2146323607 NCHLSVBPTIEINW-YUMQZZPRSA-N 304.690 -0.403 5 10 DBBE CN=c1nc(N2CC(CS(C)(=O)=O)C2)c([N+](=O)[O-])c[nH]1 2159451691 AYNKFXZETHYALD-UHFFFAOYSA-N 301.328 -0.671 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NC[C@@H](F)C2CNC2)c1 2169211975 WLKZIVKAVKXBSB-SNVBAGLBSA-N 304.303 -0.174 5 10 DBBE C[C@H](Nc1ncnc(NN)c1[N+](=O)[O-])[C@@H](C)S(C)(=O)=O 2170587598 DAAFNWFJLJALLP-NTSWFWBYSA-N 304.332 -0.096 5 10 DBBE NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 2181126065 SVUCBXLEGMKWKJ-NXEZZACHSA-N 301.324 -0.323 5 10 DBBE CN(C)C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 116792668 ZVASHCUXTQIXNO-LBPRGKRZSA-N 311.342 -0.030 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 136167855 YDINPPSSNYERAW-LURJTMIESA-N 317.327 -0.577 5 10 DBBE NC(=O)[C@H]1CN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CCO1 262593566 IIYCNJSACSEVIK-SNVBAGLBSA-N 323.261 -0.381 5 10 DBBE C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1S(C)(=O)=O 408121885 RYVFLPWBPZXTHV-VIFPVBQESA-N 317.371 -0.206 5 10 DBBE CO[C@@](C)(CO)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594795720 OQGLXIIIGJTDJD-SNVBAGLBSA-N 305.312 -0.335 5 10 DBBE N[C@@]1(CNS(=O)(=O)c2cncc([N+](=O)[O-])c2)CCOC1 688510828 ARMQBGZDLGCSHJ-SNVBAGLBSA-N 302.312 -0.614 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)[C@H](O)CO 698921447 XENKIKDUDYXMEI-LHLIQPBNSA-N 308.287 -0.246 5 10 DBBE Nc1ccc(C(=O)N[C@H](CO)CN2CCOCC2)cc1[N+](=O)[O-] 773384721 QYRVGJMXYZPCGT-NSHDSACASA-N 324.337 -0.400 5 10 DBBE CN1C[C@@H](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1=O 1133855455 CIKXHMNVCSXYMH-JTQLQIEISA-N 322.321 -0.259 5 10 DBBE CCOC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](CO)C1 1180243646 HVNJAGDFLSFANB-SGIHWFKDSA-N 301.299 -0.783 5 10 DBBE O=C1CN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CCN1 1289982220 JNJNPCFPLHOWDT-UHFFFAOYSA-N 316.277 -0.253 5 10 DBBE CCN(CC)CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1299345334 CXNYGPTZCOUNRK-VXGBXAGGSA-N 312.370 -0.337 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)n1 1302876548 HAUWQFVQPBWRAQ-KOLCDFICSA-N 323.309 -0.552 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CO)CC(F)F)n1 1328828284 NFMOIEIDKFPJPT-RXMQYKEDSA-N 314.270 -0.377 5 10 DBBE Cc1cnn(C)c1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1329565821 SGVUJHRTHFDSGI-UHFFFAOYSA-N 321.297 -0.412 5 10 DBBE O=C(CCc1cnc[nH]1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1525022461 IVJCIQONGQSPAH-DDHJBXDOSA-N 321.337 -0.229 5 10 DBBE O=[N+]([O-])c1ncccc1CN1CCS(=O)(=O)C[C@@H]1CCO 1655651586 SKKVHJVEBFRYLQ-NSHDSACASA-N 315.351 -0.029 5 10 DBBE COc1ccc(C(=O)N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 1889917690 DSEFUDRSWNVRBO-NXEZZACHSA-N 319.273 -0.052 5 10 DBBE CN(C)CCN1CC[C@@H](CNC(=O)c2cnc([N+](=O)[O-])n2C)C1 1890897597 QXZJAEZKYNDIOP-NSHDSACASA-N 324.385 -0.058 5 10 DBBE Nc1ccnc(N2CCC[C@H]2CS(N)(=O)=O)c1[N+](=O)[O-] 2146425756 OLQRLBYUVMBYEN-ZETCQYMHSA-N 301.328 -0.171 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1 2149266894 SYVVSHIBPGUNAP-VXNVDRBHSA-N 305.287 -0.120 5 10 DBBE COc1ccc(NS(=O)(=O)N2CC(N)C2)cc1[N+](=O)[O-] 2159027979 XCRUHOGTIBFNSJ-UHFFFAOYSA-N 302.312 -0.097 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 2159177412 WVZDOOAONPQWGH-HTQZYQBOSA-N 303.344 -0.087 5 10 DBBE Cn1c(O)nnc1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2199720370 YDIQMLVJQQDJCY-UHFFFAOYSA-N 300.256 -0.375 5 10 DBBE CC(C)n1ncc([N+](=O)[O-])c1O[C@@H]1CS(=O)(=O)C[C@@H]1N 2240592518 JWOAPYPCWZFMRZ-IONNQARKSA-N 304.328 -0.125 5 10 DBBE O=C(O)[C@@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302112 MGCCJLAIDHCKIH-SSDOTTSWSA-N 305.268 -0.896 5 10 DBBE CS(=O)(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1NN 161520832 MZZGTVOPCZNNHF-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)S(C)(=O)=O 593566298 KSLPRXZHAFJLCF-SSDOTTSWSA-N 323.352 -0.299 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CNC[C@@H]1O 699963805 WXCSPMVFAFMKNT-WPRPVWTQSA-N 301.324 -0.486 5 10 DBBE NC(=O)C1(N=c2c(Br)c[nH]cc2[N+](=O)[O-])CNC1 715485587 FDZSAXZXPXSRNW-UHFFFAOYSA-N 316.115 -0.587 5 10 DBBE CCON(C)C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 846007775 HONVJLCSLGJRPV-UHFFFAOYSA-N 318.311 -0.322 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ncc2c(n1)CCOC2 1328638007 GOCCVSSHGMIUTN-UHFFFAOYSA-N 318.293 -0.030 5 10 DBBE COC(=O)[C@](C)(CCF)NC(=O)Cn1cnc([N+](=O)[O-])n1 1331279753 IMYZNJKWXVLURJ-JTQLQIEISA-N 303.250 -0.406 5 10 DBBE CN(C)CCCC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1355592063 OBQLCRSJCCVCPF-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[S@@]2=O 1469748831 LRXMYARTHOFROE-SYLNSOGPSA-N 311.319 -0.512 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(CC(N)=O)C2)n1 1542978346 NZOAKGCWORIJQA-VIFPVBQESA-N 324.341 -0.509 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCN1CCCO 1637314665 UYVAIYKTBVWXTA-NSHDSACASA-N 311.342 -0.246 5 10 DBBE CCOC(=O)[C@H](COC)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1645392017 YNRLBILIHYBKPH-ZETCQYMHSA-N 300.271 -0.364 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1[nH]cnc1C 1745308116 HHNQBKZDFAKAFF-NXEZZACHSA-N 309.326 -0.038 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1CCOC(F)F 2093838259 ZMYAWPLHNHZUKA-UHFFFAOYSA-N 300.243 -0.014 5 10 DBBE CN(C)S(=O)(=O)c1ncn(-c2ncc([N+](=O)[O-])s2)n1 2122585114 VURGKONNTTWSMD-UHFFFAOYSA-N 304.313 -0.118 5 10 DBBE CS(=O)(=O)[C@H]1CCN(c2nc(NN)ccc2[N+](=O)[O-])C1 2179892525 HHDYAKBUPHYZIJ-ZETCQYMHSA-N 301.328 -0.101 5 10 DBBE CCc1ncc([N+](=O)[O-])c(OCCS(=O)(=O)CCN)n1 2360903303 AHRVBCVBHXAYFR-UHFFFAOYSA-N 304.328 -0.301 5 10 DBBE CS(=O)(=O)[C@H]1CC[C@@](C(=O)O)(n2cnc([N+](=O)[O-])n2)C1 2361603753 HIULREGYPNXJSC-IMTBSYHQSA-N 304.284 -0.437 5 10 DBBE COC[C@@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50677971 UTVLLSMHYCSIPW-VIFPVBQESA-N 319.339 -0.195 5 10 DBBE CS(=O)(=O)CC[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 52943214 MMFYWQVLOBXYHO-LLVKDONJSA-N 315.351 -0.027 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N1C[C@H](O)[C@H](O)C1 93091859 KSQYJAJDSAUAAW-DTORHVGOSA-N 306.271 -0.540 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 174866905 CBAHOVSEKHUNGE-VIFPVBQESA-N 303.344 -0.585 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1cncc([N+](=O)[O-])c1 312297909 NDBARDZOAQCWOT-ZETCQYMHSA-N 300.296 -0.501 5 10 DBBE C[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCS1(=O)=O 548058629 QEVJJBQIGSQDDR-ZETCQYMHSA-N 314.323 -0.169 5 10 DBBE COC(=O)[C@@H]1CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599222690 OMVZFBTUKJSJKV-ZETCQYMHSA-N 318.311 -0.346 5 10 DBBE COC(=O)[C@@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599258862 PLWLDDKWUIITTM-LURJTMIESA-N 306.300 -0.584 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@]1(C)CO 599350269 PTGQYUVYKDWOFI-GZMMTYOYSA-N 318.355 -0.033 5 10 DBBE Nc1ccc([N+](=O)[O-])c(N2CCC(S(N)(=O)=O)CC2)n1 707414510 HPOYFICGFCUDIA-UHFFFAOYSA-N 301.328 -0.171 5 10 DBBE CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1cncc([N+](=O)[O-])c1 709289456 ILRBJNRTQOSLGJ-NXEZZACHSA-N 303.296 -0.630 5 10 DBBE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839755348 HYXFFURPSCMWLB-QCLAVDOMSA-N 305.356 -0.514 5 10 DBBE Cc1nc(N2CCN3CCOC[C@]3(CO)C2)ncc1[N+](=O)[O-] 1187716515 MGEPRGQMCNUDRC-CYBMUJFWSA-N 309.326 -0.423 5 10 DBBE CS(=O)(=O)NCCNc1ccc2ncc([N+](=O)[O-])n2n1 1262670377 IEVKLZSOEQSJMU-UHFFFAOYSA-N 300.300 -0.401 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnnn1C 1265113321 IVVUUTAOIUZIKR-NXEZZACHSA-N 311.346 -0.797 5 10 DBBE O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H](O)[C@@H](CO)C1 1299170024 LBRQNIQXQNBSSY-RDDDGLTNSA-N 306.278 -0.104 5 10 DBBE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 1318561669 QMBHLDORMKVAGI-HTQZYQBOSA-N 319.343 -0.534 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H](Cn2ccnn2)C1 1320083363 VCBMDOKMZNHRKC-JTQLQIEISA-N 320.313 -0.283 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1C[C@@H](CO)[C@@H](CO)C1 1471318759 DUNMJMPIIQTKSH-DTORHVGOSA-N 324.289 -0.004 5 10 DBBE CN1CCN(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1540508360 WBEGPZDGLRHZBS-UHFFFAOYSA-N 323.353 -0.880 5 10 DBBE O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCS(=O)(=O)CC1 1546343655 BNQGBPXKGYWIET-NSHDSACASA-N 314.319 -0.115 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1ccnc1 1577540093 JMXQNZUPMKDTQB-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(C[C@H](O)CNC2=O)C1 1634491926 IAAPIVAIFRYKMA-VIFPVBQESA-N 320.305 -0.500 5 10 DBBE Cc1nc(CO[C@H]2CS(=O)(=O)C[C@@H]2N)ccc1[N+](=O)[O-] 2177961299 FICJBYKVXBGXTQ-ONGXEEELSA-N 301.324 -0.061 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1Nc1ncnc(N)c1[N+](=O)[O-] 2207456841 FOQJZRQLNBPICM-RITPCOANSA-N 303.300 -0.809 5 10 DBBE O=C(O)[C@H](Nc1ncncc1[N+](=O)[O-])C1CS(=O)(=O)C1 2235285610 LLWVDLOZHXQMKZ-SSDOTTSWSA-N 302.268 -0.706 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 45012001 PMTYRMDKBDHELT-UHFFFAOYSA-N 317.327 -0.705 5 10 DBBE Cc1cc(S(=O)(=O)CCS(N)(=O)=O)ccc1[N+](=O)[O-] 70214163 QBVOAHPNOJJIKX-UHFFFAOYSA-N 308.337 -0.035 5 10 DBBE CN1CCN(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)CC1 150109295 OUPFNARIQYYZEA-UHFFFAOYSA-N 315.355 -0.382 5 10 DBBE COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCCCNC=O 170357582 ITQAYBSUKCQCIG-UHFFFAOYSA-N 324.293 -0.206 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1Cc1cnn(C)c1 380226131 KLGZMORCSCGITF-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2[C@H]3CC[C@H]2CNC3)n1 599100151 KITIFCCOMTUCLA-YUMQZZPRSA-N 301.328 -0.547 5 10 DBBE C[C@@H](O)CN(C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599346425 IDXJBKMVQINNAJ-SSDOTTSWSA-N 304.328 -0.138 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@H]([C@H]2CCCO2)C1 610687336 CDBBZBWDFRYVDV-ZJUUUORDSA-N 311.298 -0.407 5 10 DBBE Cn1cc([N+](=O)[O-])c(NCC[C@H]2CNCCS2(=O)=O)n1 721807817 PVHJLJLTILMWKG-QMMMGPOBSA-N 303.344 -0.483 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)n1 1160582197 YLONLYZWQNJEAT-QMMMGPOBSA-N 310.314 -0.151 5 10 DBBE CCN(CCNC(=O)Cn1cncc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1284630684 FDFXRNRXEQVAGU-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE COC(CN(CCCO)C(=O)Cn1cnc([N+](=O)[O-])n1)OC 1338768255 TYULUTYNAHFPRA-UHFFFAOYSA-N 317.302 -0.984 5 10 DBBE C[C@H](CN1CCCC1=O)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1542625934 HXQQAJIGYSHELO-SNVBAGLBSA-N 322.321 -0.116 5 10 DBBE O=C1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2(CN1)COC2 1560120947 MGBLJZGAVNVVAN-GFCCVEGCSA-N 307.306 -0.171 5 10 DBBE CS(=O)(=O)NC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1624062799 ZPILQEHQWFWFHL-UHFFFAOYSA-N 317.327 -0.528 5 10 DBBE O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CC([N+](=O)[O-])C1 1881297392 FNPBXNVVMRCPCE-JTQLQIEISA-N 305.290 -0.396 5 10 DBBE N=c1[nH]cc([N+](=O)[O-])c(=NCC(=O)NCc2ccccc2)[nH]1 1961999216 BYLZLFHADYWQRY-UHFFFAOYSA-N 302.294 -0.052 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1N=c1cc[nH]c(C)c1[N+](=O)[O-] 2183318261 PDRMYKAPGXIJMY-NXEZZACHSA-N 301.324 -0.056 5 10 DBBE Cn1cc([N+](=O)[O-])c(C[S@](=O)C(C)(C)[C@H](N)C(=O)O)n1 2195300141 XTNAUCONJHINOP-SQFXPLBJSA-N 304.328 -0.233 5 10 DBBE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1c1ncc([N+](=O)[O-])cc1Cl 2200863193 QUIRFYJLSUAERM-CSMHCCOUSA-N 303.658 -0.362 5 10 DBBE NCCC(CCN)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2205693405 ZXOXIXKVLMURPB-UHFFFAOYSA-N 302.356 -0.061 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-])C(N)=O 35796752 JKYQMFXODKUVAY-YFKPBYRVSA-N 303.300 -0.968 5 10 DBBE CNC(=O)[C@H](C)Oc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-] 215828412 DSDWFJVLWHQHFT-YFKPBYRVSA-N 321.286 -0.105 5 10 DBBE CN(C)C(=O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593525438 QMLLMFNLCPMGDW-UHFFFAOYSA-N 302.312 -0.302 5 10 DBBE CN(C(=O)COC(=O)[C@H]1CNC(=O)N1)c1ccc([N+](=O)[O-])cc1 732361988 RTHQWYREAOGOMY-SNVBAGLBSA-N 322.277 -0.218 5 10 DBBE Cn1cc(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1293185765 FZYSZPDHTAWIQS-GHMZBOCLSA-N 309.326 -0.750 5 10 DBBE COCC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1572689347 OMDVOODVHJQLSD-VXGBXAGGSA-N 311.338 -0.037 5 10 DBBE CN(C(=O)COCC(F)F)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1585462789 MXCQETNBSPMVKQ-RKDXNWHRSA-N 321.280 -0.398 5 10 DBBE COC(=O)[C@@H]1CN(C(=O)Cn2c([N+](=O)[O-])cnc2C)CCO1 1615412913 GNPIGOGDVICUBC-VIFPVBQESA-N 312.282 -0.500 5 10 DBBE CCS(=O)(=O)NCCNC(=O)Cn1c([N+](=O)[O-])cnc1C 1631856991 XALROPKAOGTDIY-UHFFFAOYSA-N 319.343 -0.845 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(Cc2cn[nH]c2)CC1 1639496286 SXTOTFAMUUKGTF-UHFFFAOYSA-N 319.325 -0.141 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnnn1CC 1731803061 GTFVPPWBJSWWDB-VXGBXAGGSA-N 310.358 -0.099 5 10 DBBE CC(=O)NCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1C 1859183093 BOQYUWBFFZDJAG-UHFFFAOYSA-N 322.321 -0.115 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COC[C@@H]2CO)cn1 2146504206 KMTOCBLMOURSTR-CBAPKCEASA-N 303.296 -0.725 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] 2206725837 TYXKELOCKLKMMW-KOLCDFICSA-N 300.340 -0.026 5 10 DBBE COCc1cccc(NCCNS(N)(=O)=O)c1[N+](=O)[O-] 2236907507 XSVUFYUDBYMVKO-UHFFFAOYSA-N 304.328 -0.054 5 10 DBBE Nc1ccc([N+](=O)[O-])c(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c1Cl 2357914627 KRFGWFMNWCQNFV-XLDPMVHQSA-N 303.702 -0.267 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-])c1nn[nH]n1 50672568 FSPIFBHOVIOSFU-RXMQYKEDSA-N 313.299 -0.270 5 10 DBBE NNc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 157094582 GVPGQUNSDADKHP-SSDOTTSWSA-N 314.323 -0.203 5 10 DBBE COc1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1[N+](=O)[O-] 343220469 GOZDVPMBMRCZHW-QMMMGPOBSA-N 322.277 -0.182 5 10 DBBE N[C@@H]([C@@H](O)C(C(=O)O)C(=O)O)[C@H](O)c1ccc([N+](=O)[O-])cc1 514284360 GEQBBGGANDSSEX-BBBLOLIVSA-N 314.250 -0.898 5 10 DBBE CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 595352836 PGRLVOLSODEVPP-VIFPVBQESA-N 314.323 -0.207 5 10 DBBE C/C=C\C[C@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599281157 HOHGQHDVVSNBOT-TUUFMJSCSA-N 304.328 -0.066 5 10 DBBE NC(=O)C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCO1 599664475 OFIUXCCBQGMRIG-LLVKDONJSA-N 310.310 -0.667 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] 698177628 YRNMRPHXTNZRPE-PHDIDXHHSA-N 323.352 -0.645 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(N2CC[C@@H](O)C2)CC1 1328508525 FZBGEZFNYPROCT-GFCCVEGCSA-N 323.353 -0.151 5 10 DBBE O=C1N[C@H](C2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CO1 1585596667 MBVYEXCGFHXFTC-VIFPVBQESA-N 324.297 -0.467 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@H](O)C[C@@H]2O)c1 2164975539 CYJWJXMFDFMTGM-GDPRMGEGSA-N 302.308 -0.243 5 10 DBBE Nc1ccc(CN2CCS(=O)(=O)CCN2)cc1[N+](=O)[O-] 2165093289 LSJUJWIEXPWMMZ-UHFFFAOYSA-N 300.340 -0.088 5 10 DBBE CN1[C@@H](CN=c2cc(N)c([N+](=O)[O-])c[nH]2)CCS1(=O)=O 2165861570 LKSUOQMEQOMREG-SSDOTTSWSA-N 301.328 -0.560 5 10 DBBE NCCCN(CCO)S(=O)(=O)c1cncc([N+](=O)[O-])c1 2281158618 FMYKIXJJMWBMIA-UHFFFAOYSA-N 304.328 -0.678 5 10 DBBE O=[N+]([O-])c1cncc(Cl)c1N1C[C@H](O)[C@H](O)[C@H](CO)C1 2289495415 UIVLBLCJGYWXGF-DQBIJJQNSA-N 303.702 -0.207 5 10 DBBE COCCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 66327502 HUSWNEMSNCXOEI-UHFFFAOYSA-N 323.352 -0.303 5 10 DBBE N[C@H](Cn1cc([N+](=O)[O-])cc(Br)c1=O)C(=O)O 165350921 GNHUOXALVKKHAU-ZCFIWIBFSA-N 306.072 -0.069 5 10 DBBE C[C@@](CO)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 313503431 CRPWYJHFHPXBSN-JTQLQIEISA-N 304.280 -0.291 5 10 DBBE CNS(=O)(=O)c1ccc(N2CC(O)(CO)C2)c([N+](=O)[O-])c1 521463063 XNRQUPSGKULNBT-UHFFFAOYSA-N 317.323 -0.954 5 10 DBBE C[C@H](O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 535031587 YRVBHGZXLDQEOX-VIFPVBQESA-N 308.294 -0.345 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCOCCO 594773520 RXYVRCNBSROCGH-UHFFFAOYSA-N 305.312 -0.333 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCCS(=O)(=O)CC1 1116102066 JQJNAIAKAIGMFU-UHFFFAOYSA-N 314.323 -0.286 5 10 DBBE NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 1319556135 CMILLFHTYOARBP-SECBINFHSA-N 314.323 -0.117 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCC(=O)NCc1ccco1 1341458384 BDSPZZOVAQGZFY-UHFFFAOYSA-N 307.266 -0.033 5 10 DBBE CNC(=O)NC[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 1455076357 DVDQQYWJTDCZBN-SECBINFHSA-N 311.298 -0.307 5 10 DBBE COC[C@@H](NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])C(N)=O 1535886766 OWMRZMVKEJGWCA-MRVPVSSYSA-N 315.257 -0.027 5 10 DBBE O=C(NCC(=O)N1CC[C@H]1CO)NCc1ccc([N+](=O)[O-])cc1 1597670047 VWRBBHOLULHVIR-LBPRGKRZSA-N 322.321 -0.013 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC[C@@H](O)CO 1963622157 WQFVXJNPNRMUIH-SNVBAGLBSA-N 304.324 -0.243 5 10 DBBE CN(CCN(C)S(C)(=O)=O)c1ncc([N+](=O)[O-])c(=N)[nH]1 1971682548 FLLRGTOKDDUMBP-UHFFFAOYSA-N 304.332 -0.875 5 10 DBBE Cc1nc(Cl)nc(N2CCNC[C@@H]2C(N)=O)c1[N+](=O)[O-] 2162818758 RAHVCDUHDVMVND-ZCFIWIBFSA-N 300.706 -0.390 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CN)CO 2182586161 NKEDSPABBGCQSL-SSDOTTSWSA-N 305.312 -0.799 5 10 DBBE CCc1nn(C)c(NCCS(=O)(=O)CCO)c1[N+](=O)[O-] 2360986906 QCZOEKVDPWMNRS-UHFFFAOYSA-N 306.344 -0.290 5 10 DBBE O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H](O)CO 90281324 BLMNYQGCZDPNFW-ZETCQYMHSA-N 310.715 -0.120 5 10 DBBE C[C@H](O)[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)O 157107441 ZMAODXLYPIQMEM-YLWLKBPMSA-N 322.270 -0.154 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1NC(=O)C[S@](=O)C[C@@H](O)CO 526885892 OJLFPKWDKNLLTK-CHNSCGDPSA-N 316.335 -0.056 5 10 DBBE C[C@@H](O)CN(CCO)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594777756 AYWZMRLSHWWZJM-MRVPVSSYSA-N 305.312 -0.646 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC(=O)N1C 594778225 CTUGIGQWKAOBSE-QMMMGPOBSA-N 314.323 -0.159 5 10 DBBE COC[C@@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])OC 599338760 WEQOQKJRFNONBN-MRVPVSSYSA-N 322.343 -0.342 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H](O)CO 698918627 KIVLMONFXKCSCU-WPRPVWTQSA-N 304.324 -0.077 5 10 DBBE CCN1C(=O)[C@H]2CN(c3nn(C)cc3[N+](=O)[O-])CCN2C1=O 1306990135 IIIVFQVHXWBJBF-SECBINFHSA-N 308.298 -0.199 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC(CN3CCOCC3)C2)n1 1347916801 LTNVEKVKZRIDJZ-UHFFFAOYSA-N 309.326 -0.268 5 10 DBBE CC[C@@H](OC)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1351531961 MJDVWQLAXKVNHB-SSDOTTSWSA-N 306.300 -0.442 5 10 DBBE CCOC(=O)COCCNC(=O)c1n[nH]c(C)c1[N+](=O)[O-] 1449775031 OZZHKLVENSBOJB-UHFFFAOYSA-N 300.271 -0.064 5 10 DBBE CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 1455492732 GZPSDRDJGWNGFF-ZETCQYMHSA-N 317.327 -0.671 5 10 DBBE CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](CO)C1 1460471248 MJRANLPLGNGCIQ-GFCCVEGCSA-N 308.338 -0.198 5 10 DBBE O=C(NC[C@]1(CO)COCCN1)c1ccc([N+](=O)[O-])cc1O 1471179556 XDQUMOOKBXGGAT-ZDUSSCGKSA-N 311.294 -0.619 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCS2(=O)=O)n1 1525763845 ULXCPGMCXADLGJ-SSDOTTSWSA-N 302.312 -0.365 5 10 DBBE CS(=O)(=O)C[C@@H]1CN(c2ccnc(O)c2[N+](=O)[O-])CCO1 1559291915 VFVGUVHWSRYOIV-QMMMGPOBSA-N 317.323 -0.055 5 10 DBBE Cc1c(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nnn1C 1720462351 BHZWNQPVJWRIOX-NXEZZACHSA-N 324.341 -0.633 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CN1CCCC1 1746900714 GBODPAAAJWZVFV-VXGBXAGGSA-N 312.370 -0.336 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(F)(CO)C1 2172924484 HTTYUAKPKNIVGB-UHFFFAOYSA-N 305.287 -0.118 5 10 DBBE NS(=O)(=O)c1cn(C[C@H](F)[C@H]2CCOC2)nc1[N+](=O)[O-] 2238307001 OVHKAQRBNKMHJL-BQBZGAKWSA-N 308.291 -0.187 5 10 DBBE CCOC(=O)CNC[C@@H](O)Cn1nc(C)c([N+](=O)[O-])c1C 69369573 LQWYTBHETHYBLT-SNVBAGLBSA-N 300.315 -0.078 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 124435954 JCWUGDNCEBBWPW-UHFFFAOYSA-N 303.300 -0.876 5 10 DBBE CN(CCO)C(=O)NCCNC(=O)c1cccc([N+](=O)[O-])c1 585843593 CVHAWEODMAMXIO-UHFFFAOYSA-N 310.310 -0.042 5 10 DBBE Cn1ccc(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1 599279270 OXOIQVNAHVXQRT-UHFFFAOYSA-N 314.327 -0.417 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3COC[C@@]3(C)C2)n1 599347892 WADYBDKMZWPSJY-LDYMZIIASA-N 316.339 -0.015 5 10 DBBE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CNC[C@H]2O)c1 699919466 RMVUNYVWTNDGNU-RKDXNWHRSA-N 321.742 -0.141 5 10 DBBE NNc1ncnc(N2CCS[C@H](CCO)C2)c1[N+](=O)[O-] 719979943 WBUIBILMAPOODY-SSDOTTSWSA-N 300.344 -0.025 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnccn1 1357520858 JQFJFKOCSTXMPS-GRKXQCETSA-N 305.294 -0.456 5 10 DBBE CS(=O)(=O)c1cc(C(=O)N2CC=C(N)N2)cc([N+](=O)[O-])c1 1439534398 ZREZWTAISXLKJG-UHFFFAOYSA-N 312.307 -0.241 5 10 DBBE CC1(NCC(=O)N2CCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1502779275 SZKCJDISKRVLLU-VXGBXAGGSA-N 324.381 -0.145 5 10 DBBE CN(C)C(=O)Cn1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)n1 1542667691 JJTNCZHOQBLJJA-UHFFFAOYSA-N 321.297 -0.135 5 10 DBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CO 1638904835 RRJQQIZBXYSSNV-UHFFFAOYSA-N 317.323 -0.676 5 10 DBBE O=C(CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccon1 1687475382 AGNQNOHJVJLXGW-NXEZZACHSA-N 323.309 -0.578 5 10 DBBE CCOCC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703880265 VTILCSPQEWXGTN-WRWGMCAJSA-N 311.338 -0.110 5 10 DBBE CN1CCN(C(=O)CN(C)C(=O)c2cnc([N+](=O)[O-])n2C)CC1 1850544688 PFXYXHYEGILKFM-UHFFFAOYSA-N 324.341 -0.826 5 10 DBBE NC(=O)[C@@H]1CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 1963536942 JDCOAVWIPGGFMH-ZETCQYMHSA-N 303.271 -0.018 5 10 DBBE O=[N+]([O-])c1ccc(CN2CCN[C@@H]3CS(=O)(=O)C[C@H]32)o1 2143711899 GBCMBEILICJVNG-NXEZZACHSA-N 301.324 -0.241 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2COC[C@H]2CO)c1 2146507286 ZENTYTQGDBYMOH-GMSGAONNSA-N 303.296 -0.725 5 10 DBBE CCS(=O)(=O)NC1CN(c2ccc(N)c([N+](=O)[O-])n2)C1 2165630596 MNHZNKHRFQPRQZ-UHFFFAOYSA-N 301.328 -0.300 5 10 DBBE Cc1[nH]c(=NCC(CO)(CO)CO)c(Cl)cc1[N+](=O)[O-] 2179743552 QVFKZJNFCKBFRS-UHFFFAOYSA-N 305.718 -0.251 5 10 DBBE COC(=O)[C@H](C)CS(=O)(=O)N=c1cc[nH]cc1[N+](=O)[O-] 2202430349 RFCMWFRJIHGZBC-SSDOTTSWSA-N 303.296 -0.038 5 10 DBBE C[C@@H]1CNCCN1S(=O)(=O)Nc1ncccc1[N+](=O)[O-] 2202434748 VQMWZJJJSXANSX-MRVPVSSYSA-N 301.328 -0.060 5 10 DBBE Cc1nc(Cl)nc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c1[N+](=O)[O-] 2357913659 SZAYARXGJFWTGM-JKMUOGBPSA-N 304.690 -0.751 5 10 DBBE CN(Nc1ncnc(NN)c1[N+](=O)[O-])S(=O)(=O)C1CC1 2365275462 SOONKXRWLRELCI-UHFFFAOYSA-N 303.304 -0.579 5 10 DBBE C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCS1(=O)=O 132122843 LBHFUYGOAVYHAZ-SNVBAGLBSA-N 315.351 -0.125 5 10 DBBE COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 592934866 FLKJJKUTUWLBLW-YUMQZZPRSA-N 312.282 -0.676 5 10 DBBE O=[N+]([O-])c1cnc(OCC[C@H]2CNCCS2(=O)=O)nc1 725060385 JXBWTUNEPSAZML-VIFPVBQESA-N 302.312 -0.460 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1n[nH]cc1F 1501852494 RCQDTRJBPGTJSE-NRGCHRPYSA-N 311.273 -0.384 5 10 DBBE C[C@]1(CO)C[C@H](O)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1645962440 XKTWCUSHAYPRBD-TVQRCGJNSA-N 311.294 -0.899 5 10 DBBE Cc1nocc1CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1733500459 RJTRASRCGVAJOC-GHMZBOCLSA-N 310.310 -0.689 5 10 DBBE CS(=O)(=O)[C@H]1CCC[C@]1(C(=O)O)n1cnc([N+](=O)[O-])n1 2144984571 PUDXPHHAVITZDQ-RCOVLWMOSA-N 304.284 -0.437 5 10 DBBE C[C@@H]1CNC(=O)CN1S(=O)(=O)c1cncc([N+](=O)[O-])c1 2181184058 SQFLPMHVSYCPTL-SSDOTTSWSA-N 300.296 -0.501 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(=N[C@H]2CS(=O)(=O)C[C@@H]2O)[nH]1 2239225476 RZBRWKNWSFGTMT-CBAPKCEASA-N 304.328 -0.636 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCc2ncnn2C1 112659846 ZLVZNGBEZBWWLD-SECBINFHSA-N 305.298 -0.178 5 10 DBBE O=C(NC1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1)C1CCC1 188557137 CAUXUERIAOTDAG-UHFFFAOYSA-N 307.310 -0.082 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@](O)(C(N)=O)C1 284984862 KUVNXTZVPQOKNW-CQSZACIVSA-N 322.321 -0.236 5 10 DBBE C[C@H](O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 593606807 CAOKWBHZHMKBMM-WCBMZHEXSA-N 317.323 -0.240 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Br)c1=N[C@@H]1CNC[C@@H]1O 699970035 ZOXDDLCLGLWCPO-SVRRBLITSA-N 303.116 -0.081 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@]2(O)CCSC2)c1 702232487 KHUQCGSGTQYWNI-MNOVXSKESA-N 302.356 -0.390 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)c1ccc(N)c([N+](=O)[O-])c1 719725115 UULUFYIRKARTQV-UHFFFAOYSA-N 302.312 -0.463 5 10 DBBE Cn1cc(C(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)nn1 845109676 XJKKPNYVVQLZEV-UHFFFAOYSA-N 321.249 -0.689 5 10 DBBE CNC(=O)CN(CC(=O)NC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 1197514735 RLZHMQDFTZIOJI-GFCCVEGCSA-N 324.337 -0.578 5 10 DBBE Cc1nnc(S)n1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 1339790896 ZBAFBXXWBYLGKW-UHFFFAOYSA-N 312.315 -0.809 5 10 DBBE CC1=NNC(=O)[C@@H]1CCNC(=O)Cn1c([N+](=O)[O-])cnc1C 1565612167 FLLWTJBTNGZWPH-SECBINFHSA-N 308.298 -0.272 5 10 DBBE COC1(OC)CCOC[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] 1629921889 ATVRHEBNMBCKQD-QMMMGPOBSA-N 300.271 -0.174 5 10 DBBE O=C(NCC(=O)N1C[C@@H](O)[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 1638815290 SZUIWPSXPFUQHH-ZYHUDNBSSA-N 323.305 -0.864 5 10 DBBE O=C(CCn1ccnn1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1689582567 APCSPMSRHANGNB-NXEZZACHSA-N 322.325 -0.902 5 10 DBBE CCOCCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1720869536 IEKINSPJPGVETH-HMUNZLOLSA-N 311.338 -0.349 5 10 DBBE C[C@@H](O)[C@H](NC(=O)C(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 1866062170 FCWOABDVVWXJAZ-HQJQHLMTSA-N 310.262 -0.343 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)c1cc([N+](=O)[O-])ccc1N 2152954743 QKXOPBXXUCBQPA-ZCFIWIBFSA-N 302.312 -0.416 5 10 DBBE Nc1ccc(S(=O)(=O)N2CC([N+](=O)[O-])C2)c([N+](=O)[O-])c1 2191503483 STINMCVOZYTUQN-UHFFFAOYSA-N 302.268 -0.173 5 10 DBBE C[C@H]1CNCCN1S(=O)(=O)Nc1ccc([N+](=O)[O-])cn1 2202444180 XFFUKXARALVPMZ-QMMMGPOBSA-N 301.328 -0.060 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1NN 51128997 YMDUFIOYDYYJGL-UHFFFAOYSA-N 317.327 -0.841 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1ccc(NN)c([N+](=O)[O-])c1 51129001 VPCMOCWVFKUPJX-UHFFFAOYSA-N 317.327 -0.841 5 10 DBBE O=C1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CN1 70302394 MKKPEOKTFRSUAW-ZETCQYMHSA-N 300.296 -0.453 5 10 DBBE CC(=O)N[C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 81133429 CNHNELWSVBOAST-QMMMGPOBSA-N 316.291 -0.042 5 10 DBBE NNc1cccc(S(=O)(=O)NCc2nnc[nH]2)c1[N+](=O)[O-] 126799781 CAGLOMCWJLOOGF-UHFFFAOYSA-N 313.299 -0.523 5 10 DBBE CNC(=O)CNS(=O)(=O)c1cccc(NC)c1[N+](=O)[O-] 126916198 NTVTULDMTICHLQ-UHFFFAOYSA-N 302.312 -0.339 5 10 DBBE CC(C)n1ncnc1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 160858057 MGKRFTWDRYRJGW-UHFFFAOYSA-N 315.315 -0.341 5 10 DBBE CN(C[C@@H](O)CN)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 313151309 GRGYXELBGMACGU-ZETCQYMHSA-N 307.303 -0.326 5 10 DBBE CNS(=O)(=O)NCC(=O)NCCc1ccc([N+](=O)[O-])cc1 339257001 VDOSJUBSOZNOAW-UHFFFAOYSA-N 316.339 -0.693 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)nc1 593523523 NKRGNYJQDYEIQE-SSDOTTSWSA-N 321.336 -0.545 5 10 DBBE CCN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593591316 STBCRQWKARMKHX-SECBINFHSA-N 314.323 -0.111 5 10 DBBE C[C@@H](N)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 595108178 IVEJIDGZRWDSFI-PSASIEDQSA-N 316.339 -0.274 5 10 DBBE CN(C)C[C@]1(O)CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 619254235 KHVKXDORSLMEOC-CYBMUJFWSA-N 311.342 -0.143 5 10 DBBE NC(=O)C(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(N)=O 695295307 MKLBYEMLPROOQP-UHFFFAOYSA-N 300.658 -0.683 5 10 DBBE CNC(=O)NC[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCO1 862634310 AIVYDESULBOJFA-SNVBAGLBSA-N 316.358 -0.022 5 10 DBBE CC[C@@H](CNS(C)(=O)=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 1129129236 OUKMMRLKZNWSGK-QMMMGPOBSA-N 319.343 -0.765 5 10 DBBE COC(=O)CNC(=O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])cn1 1151905305 COKLMAOXCAVLJD-VIFPVBQESA-N 309.282 -0.357 5 10 DBBE CNC(=O)CN(CC(=O)NC)C(=O)c1cc(C)cc([N+](=O)[O-])c1 1154129869 LRYOOMFXJPSSKH-UHFFFAOYSA-N 322.321 -0.163 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCO[C@H](CS(C)(=O)=O)C1 1307219957 AWVNQMXYEUXTRN-QMMMGPOBSA-N 304.328 -0.422 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@@]2(F)CCOC2)n1 1329982427 BDYFQJQQMFNJCV-SECBINFHSA-N 322.274 -0.738 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](NS(C)(=O)=O)C1 1341456488 PXDJNIBYPLOPGK-ZETCQYMHSA-N 317.327 -0.908 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)CN2CCCCC2)n1 1449352632 BULAVYIPUSISDD-SNVBAGLBSA-N 311.342 -0.095 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] 1453432971 CZBZSJVQYVWSMK-SCZZXKLOSA-N 311.269 -0.277 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1CCC(O)CC1 1569179891 OKZYUSCZKLDOQA-UHFFFAOYSA-N 324.337 -0.671 5 10 DBBE CC(C)(O)CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1572052789 YAUZJYNJORFHQM-GWOFURMSSA-N 313.354 -0.176 5 10 DBBE CNC(=O)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1585500893 QUKSOJHDDLHJQA-SECBINFHSA-N 308.294 -0.649 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 1628055119 OXKQTQUKXURLIE-DTORHVGOSA-N 304.262 -0.478 5 10 DBBE O=C(NCC(O)(CO)CO)c1cccc([N+](=O)[O-])c1Cl 1913800302 FQSAPQNKAFNOPY-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE NC[C@@]1(CO)COCCN1c1ncnc(Cl)c1[N+](=O)[O-] 2162789795 KLUFXRXHGKFGCO-SNVBAGLBSA-N 303.706 -0.435 5 10 DBBE O=[N+]([O-])c1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)c(CO)c1 2205292805 ULFHGUGKQUKFOQ-MNOVXSKESA-N 302.308 -0.343 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=NCCS(=O)(=O)CCO 2335876393 IBAHXMWBMHHEOS-UHFFFAOYSA-N 310.719 -0.721 5 10 DBBE Nc1nc(S(=O)(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 57341322 OIYRYZRVCNVCGO-UHFFFAOYSA-N 311.279 -0.048 5 10 DBBE NNc1c(Cl)cc(C(=O)NCCNC(N)=O)cc1[N+](=O)[O-] 147487234 WLRGCYKCDRVZGB-UHFFFAOYSA-N 316.705 -0.068 5 10 DBBE CC[C@@H](CO)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 179412300 AMNKUVFQZKPPTA-NSHDSACASA-N 311.342 -0.294 5 10 DBBE CCN1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 599302596 HYOPQQOFBABYJQ-SSDOTTSWSA-N 317.327 -0.773 5 10 DBBE Nc1sc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)cc1[N+](=O)[O-] 707022871 QUBIUNJKURLUCC-FSPLSTOPSA-N 323.352 -0.333 5 10 DBBE CN(C)C[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 717327878 BVZMJFMVCWZQCT-JTQLQIEISA-N 303.340 -0.204 5 10 DBBE NC(=O)N[C@@H](CO)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1137278912 VPUNZLZORLXDTK-NSHDSACASA-N 308.294 -0.491 5 10 DBBE CC(=O)NC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCO1 1319154016 YNPVVQOUYVLSME-LLVKDONJSA-N 308.294 -0.033 5 10 DBBE Cc1nncn1CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1329590690 WHKSCZZQVHEVLV-UHFFFAOYSA-N 315.315 -0.793 5 10 DBBE COC(=O)C1(O)CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 1558060708 TXNSMSFRLQKZCF-UHFFFAOYSA-N 310.262 -0.280 5 10 DBBE O=C(NCC1CN(CCOCC(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1567830101 YFDOXJVEPWIISX-NXEZZACHSA-N 307.297 -0.019 5 10 DBBE CS(=O)(=O)c1ccc(C(=O)N2CC(O)C2)c([N+](=O)[O-])c1 1588014431 GEMCUTHXDVNYEQ-UHFFFAOYSA-N 300.292 -0.185 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCC[C@H]1CCCS1(=O)=O 1625210960 KQCYARBUZPOTAV-MRVPVSSYSA-N 317.327 -0.730 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](Cc3nn[nH]n3)C2)n1 1651874517 NGLPBHNTHQIIBS-QMMMGPOBSA-N 320.313 -0.064 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](O)[C@@H](F)C1 2149266768 RIGVKCUDBBDLHM-CBAPKCEASA-N 305.287 -0.120 5 10 DBBE CNS(=O)(=O)CCN(C)c1nc(=N)[nH]c(C)c1[N+](=O)[O-] 2151038454 HMVWACXHWIWALM-UHFFFAOYSA-N 304.332 -0.909 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCS(=O)(=O)[C@H](C(=O)O)C2)n1 2197721941 MMUKGMFBEBCKSZ-ZETCQYMHSA-N 304.284 -0.984 5 10 DBBE O=[N+]([O-])c1ccnc(NS(=O)(=O)C[C@@H]2CNCCO2)c1 2202449240 TZCHLMSSXLNEMW-VIFPVBQESA-N 302.312 -0.280 5 10 DBBE NC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCO1 165633288 ZAPBJZXTJQWQMN-MRVPVSSYSA-N 302.312 -0.662 5 10 DBBE O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CC(O)C1 340559427 ZYVVJAQPRJRBSD-SECBINFHSA-N 309.278 -0.005 5 10 DBBE C[C@@H]1CN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CCS1(=O)=O 352351778 ZDGGOEZLVYEANC-SSDOTTSWSA-N 315.307 -0.046 5 10 DBBE CN1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 597693485 FDGYCKUGKFMAJJ-GHMZBOCLSA-N 324.341 -0.492 5 10 DBBE CC(C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1CCCC1 600491227 RLWYHKXVQFVTAR-UHFFFAOYSA-N 324.341 -0.049 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)CO 722300076 UXLTWPAGSMRUCI-LDWIPMOCSA-N 305.312 -0.803 5 10 DBBE O=C(Cn1ncc([N+](=O)[O-])n1)N1CCN(C(=O)C2CC2)CC1 863374179 MGZAUWXHOYCMRW-UHFFFAOYSA-N 308.298 -0.733 5 10 DBBE CCCN(CCNC(=O)c1nc[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296532127 VIUJHSFLZNZTKB-RKDXNWHRSA-N 310.314 -0.562 5 10 DBBE CS(=O)(=O)C[C@@H]1CCN(c2ncnc(N)c2[N+](=O)[O-])C1 2143675832 ATQHVHVRUJVJBA-SSDOTTSWSA-N 301.328 -0.162 5 10 DBBE CCn1cncc1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156811720 BRORWXAFTOUYQT-UHFFFAOYSA-N 300.300 -0.297 5 10 DBBE C[C@H](CS(=O)(=O)N(C)C)Nc1ncc([N+](=O)[O-])c(=N)[nH]1 2157639641 MPNXAIYJDMXZTK-ZCFIWIBFSA-N 304.332 -0.511 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC(O)(CO)C1 2171960994 XBXBVKRNYPZTLA-UHFFFAOYSA-N 306.271 -0.538 5 10 DBBE C[C@@](N)(CO)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2181129749 PEYVWVMFXMPTBN-JTQLQIEISA-N 307.303 -0.278 5 10 DBBE Cc1cc(NN)c(CN2CCNS2(=O)=O)cc1[N+](=O)[O-] 2202071373 ACHGAZCVSROSKI-UHFFFAOYSA-N 301.328 -0.161 5 10 DBBE C[C@@H]1CNCCN1S(=O)(=O)Nc1ncccc1[N+](=O)[O-] 2202432731 VQMWZJJJSXANSX-MRVPVSSYSA-N 301.328 -0.060 5 10 DBBE O=C(O)[C@@H](CCO)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 40700004 BTQDGUCUEVRNEF-SSDOTTSWSA-N 322.270 -0.152 5 10 DBBE Nc1cccc(S(=O)(=O)N[C@@H]2CCCNC2=O)c1[N+](=O)[O-] 126938167 FDHLNRPYLUERNQ-MRVPVSSYSA-N 314.323 -0.266 5 10 DBBE COC[C@@](C)(CCO)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 132556081 IOUKHTYLLLRPDW-NWDGAFQWSA-N 302.331 -0.471 5 10 DBBE O=C(O)[C@H](O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 236536147 URYLHBNRPASNPH-SSDOTTSWSA-N 305.268 -0.896 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@H]2COC[C@@H]2O)cc1[N+](=O)[O-] 323113844 IGVRWJCKQHQVFK-ONGXEEELSA-N 302.308 -0.059 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)ccc1O 323525077 VGWULVNYAKHLLT-XCBNKYQSSA-N 304.280 -0.662 5 10 DBBE CNC(=O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 530511372 ZQUNGAJOEVLMRT-UHFFFAOYSA-N 307.310 -0.226 5 10 DBBE CC(=O)NCCN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594792848 CIBODQOVMNUIPK-UHFFFAOYSA-N 302.312 -0.254 5 10 DBBE CNCCOCCN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 599921315 QUOMEEXDAONKTM-UHFFFAOYSA-N 314.346 -0.331 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@@H](O)C1 611024452 UAZMENQEPQDQDK-DTORHVGOSA-N 302.308 -0.289 5 10 DBBE Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)nn1 701983397 UOOGZRWDTKTUCR-UHFFFAOYSA-N 319.328 -0.129 5 10 DBBE CN(C)C(=O)OCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 849446292 PDEDSVHBUFJQEB-UHFFFAOYSA-N 318.311 -0.034 5 10 DBBE NC(=O)[C@H](CO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 1140505500 PMYJFFSKAIFZOZ-QMMMGPOBSA-N 301.686 -0.247 5 10 DBBE CN(CCCNC(=O)Cc1cnc[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1351957907 HORIBVFMJJOKML-GHMZBOCLSA-N 309.326 -0.418 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NCCS(=O)(=O)C1CC1 1436762623 ZCGZGFUSLNRKTE-UHFFFAOYSA-N 302.312 -0.515 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCCN1CCO 1450022034 PWUVWRAUZPQVMK-SNVBAGLBSA-N 312.330 -0.851 5 10 DBBE O=C(NCCS(=O)(=O)C(F)(F)F)c1c[nH]nc1[N+](=O)[O-] 1470030385 OMFMVVBGVGDXDM-UHFFFAOYSA-N 316.217 -0.018 5 10 DBBE CCN1CCN(C2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 1529092626 DHRVDXBMRAEGFI-UHFFFAOYSA-N 308.342 -0.220 5 10 DBBE Nc1ncc(C(=O)NCCN2CCC(O)CC2)cc1[N+](=O)[O-] 1556641845 PQROYDTUKUMRGZ-UHFFFAOYSA-N 309.326 -0.242 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1[C@H](C)C(=O)N(C)S1(=O)=O 1656489121 LWGGVXOVYMIEBF-SSDOTTSWSA-N 317.327 -0.493 5 10 DBBE CN(CCO)c1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2)n(C)[nH]1 1870028116 FYOHDOCKPOKKTM-UHFFFAOYSA-N 320.309 -0.174 5 10 DBBE Nc1ccc(N2CC[C@H](CS(N)(=O)=O)C2)nc1[N+](=O)[O-] 2144396218 WHBNSSCECKPBBY-ZETCQYMHSA-N 301.328 -0.313 5 10 DBBE NNc1cc(NCCCNS(N)(=O)=O)cc([N+](=O)[O-])c1 2157535624 XFKTZQZKIBSHKM-UHFFFAOYSA-N 304.332 -0.525 5 10 DBBE N=c1[nH]c(N2CCC(S(N)(=O)=O)CC2)ncc1[N+](=O)[O-] 2157641872 ZDRPTWRGDDBMAX-UHFFFAOYSA-N 302.316 -0.945 5 10 DBBE CS(=O)(=O)c1ccc(NC[C@@H](O)C(=O)O)c([N+](=O)[O-])c1 2176871522 REMKUFCWUCIPKY-SECBINFHSA-N 304.280 -0.144 5 10 DBBE O=CN[C@@H](C[S@@](=O)Cc1ccc([N+](=O)[O-])cn1)C(=O)O 2195294464 JKIHYRNJJXZFDH-LXGOIASLSA-N 301.280 -0.562 5 10 DBBE CS[C@@H]1COC[C@@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 2207562387 QQGBAGAOGXMKBV-GARJFASQSA-N 302.356 -0.128 5 10 DBBE C[C@@H](O)c1cc([N+](=O)[O-])c(N2C[C@@H](O)[C@@H](O)[C@H]2CO)s1 2357910988 XNXVOXRRFNHDAL-UZRKRJFESA-N 304.324 -0.388 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@]2(C)C(=O)O)n1 600653886 PUHMMVAWYWGGAY-SNVBAGLBSA-N 318.311 -0.044 5 10 DBBE COC1(OC)CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1O 1308037022 XQSMQSYSCGHTKM-LLVKDONJSA-N 300.315 -0.153 5 10 DBBE O=C(CCCn1ccnc1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1356773270 OAKUQLLPJXRHJN-VXGBXAGGSA-N 321.337 -0.345 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1 1440965640 GOKDFDUDZAXOMJ-QMMMGPOBSA-N 315.307 -0.940 5 10 DBBE CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(CC(=O)NCC2CC2)C1 1483863225 QVECCWHKYOTPPF-VXGBXAGGSA-N 310.354 -0.680 5 10 DBBE CC(=O)N1CC[C@@H](CN(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1525936636 ZCLUNSIJUYUIGQ-JTQLQIEISA-N 310.314 -0.487 5 10 DBBE O=C(CN1CCCC1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1530769539 MKYOAQIWSDQUSS-VXGBXAGGSA-N 310.354 -0.678 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H](CO)[C@@H](CCO)C1 1607697679 HGOFRFQIKNTSEA-WDEREUQCSA-N 312.326 -0.451 5 10 DBBE NC(=O)[C@H](CO)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 1636336051 DTXAFVNGHPGUBP-LURJTMIESA-N 305.649 -0.037 5 10 DBBE O=C(CCn1ccnc1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1688050015 MGPZEPNIDOOCIU-WRWGMCAJSA-N 321.337 -0.298 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=NCC2(C)CS(=O)(=O)C2)[nH]1 2152861968 QYDAPEDDXKCLER-UHFFFAOYSA-N 301.328 -0.883 5 10 DBBE C[C@H]1C[C@@H](CN=c2nc([N+](=O)[O-])[nH]n2C)CCS1(=O)=O 2161425828 ZNIBUWDCSWRNMB-YUMQZZPRSA-N 303.344 -0.230 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C[C@H]1N 2179202174 MPQQOWKTIDNEKX-ZJUUUORDSA-N 302.312 -0.664 5 10 DBBE CNS(=O)(=O)c1ccc(N[C@H](CN)CO)c([N+](=O)[O-])c1 2182584561 KBOAIHBJXFASNZ-SSDOTTSWSA-N 304.328 -0.766 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC[C@H](O)[C@H](O)C2)c1 2188677339 FHMMSRPLHWHWRU-VHSXEESVSA-N 303.296 -0.894 5 10 DBBE CCOC(=O)[C@H](N)C[S@](=O)Cc1nn(C)cc1[N+](=O)[O-] 2195291902 PATNCDXFZXCHJH-GLEHDBDLSA-N 304.328 -0.533 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](N)[C@H](C)O 80736677 NRADYYSEKGBVKK-DTWKUNHWSA-N 303.340 -0.110 5 10 DBBE C[C@@H](CO)N(C)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 122572794 AXCIBXYVPFXWNE-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE C[C@@H](COc1c(F)cc([N+](=O)[O-])cc1S(N)(=O)=O)C(N)=O 215979893 OWMMFHBEFDYHPH-YFKPBYRVSA-N 321.286 -0.119 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]1CN1CCOCC1 362055462 IRSXGEYLEZAIMO-NSHDSACASA-N 324.341 -0.491 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCn2nncc2C1 517756026 BJXJPCVYZUOXJK-UHFFFAOYSA-N 306.286 -0.392 5 10 DBBE C[C@@H]1CCN(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599247918 WEZWEGFDYCFNQX-SECBINFHSA-N 317.371 -0.052 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 600242066 QTUNENYPPPMYMD-NEPJUHHUSA-N 307.306 -0.026 5 10 DBBE COC(=O)[C@]1(F)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 752678013 UXXKHUDHFZWDTE-JTQLQIEISA-N 301.234 -0.700 5 10 DBBE COC(=O)N(C)CCN(C)C(=O)Cn1cnc([N+](=O)[O-])n1 855887983 JPEOPQUHKLQYMP-UHFFFAOYSA-N 300.275 -0.657 5 10 DBBE COC(=O)c1cc(C)nc(N2C[C@@H](CO)[C@@H](O)C2)c1[N+](=O)[O-] 1145089516 XPNRWWXLXJNTAY-WPRPVWTQSA-N 311.294 -0.126 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](CNC(N)=O)C1 1290956664 VOFLDFXECXXMCB-MRVPVSSYSA-N 310.314 -0.151 5 10 DBBE CNC(=O)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 1307090477 LAKKXYLFVMBAEU-SECBINFHSA-N 317.323 -0.483 5 10 DBBE C[C@@H]1CC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CN1 1329070516 RKOZXWBMBRYDPD-ZJUUUORDSA-N 324.341 -0.836 5 10 DBBE CC(C)N(C)CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357815129 RNJSHKWUPVEIIV-XLMCQVRKSA-N 312.370 -0.220 5 10 DBBE O=C(NC[C@@H](O)CO)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1472222008 UZKWGMOSIFFJGM-PELKAZGASA-N 309.278 -0.443 5 10 DBBE Cn1cc(CC(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1533408311 BRVMHYZYWNIVQD-JGLYPNHGSA-N 321.337 -0.584 5 10 DBBE COC(=O)[C@@]1(O)CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 1559028039 XXZJGHOMURNFPT-GFCCVEGCSA-N 312.282 -0.613 5 10 DBBE CN1CC2(CN(C(=O)c3cc([N+](=O)[O-])cnc3O)C2)OC1=O 1611446716 HNTZZAROSWYEJF-UHFFFAOYSA-N 308.250 -0.028 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O 1626160336 JNYQHQHGDCOBHB-SECBINFHSA-N 321.293 -0.494 5 10 DBBE Nc1ccc(N2CCC[C@H]2CS(N)(=O)=O)nc1[N+](=O)[O-] 2146427509 UXLJGBWRNHBOAS-ZETCQYMHSA-N 301.328 -0.171 5 10 DBBE N[C@@H]1COCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 2152193019 WWLWCHYIPYVSLX-VIFPVBQESA-N 301.324 -0.057 5 10 DBBE NS(=O)(=O)c1cn(CCCc2cn[nH]c2)nc1[N+](=O)[O-] 2156821883 WCOZGANNWLXLNH-UHFFFAOYSA-N 300.300 -0.205 5 10 DBBE CS(=O)(=O)[C@H]1CCN(c2cc([N+](=O)[O-])cc(NN)n2)C1 2179892440 GKEGNWPGTSZXSV-QMMMGPOBSA-N 301.328 -0.101 5 10 DBBE CS(=O)(=O)[C@@H]1CC[C@@](C(=O)O)(n2cnc([N+](=O)[O-])n2)C1 2361603751 HIULREGYPNXJSC-HZGVNTEJSA-N 304.284 -0.437 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCNC(=O)c1ccccc1 48246379 MSQDDYSHFSENPO-UHFFFAOYSA-N 318.293 -0.268 5 10 DBBE Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)Nc1nnn(C)n1 127730903 KWIAQQUKOCBRHM-UHFFFAOYSA-N 313.299 -0.190 5 10 DBBE C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 190301439 MAUYAWUWQRXPKC-WPRPVWTQSA-N 304.328 -0.112 5 10 DBBE C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1CN 599103613 XKEAPIKDKAZYMJ-RKDXNWHRSA-N 317.371 -0.066 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CNC[C@@H]1O 699961769 GZHCFGZKQONMJP-UWVGGRQHSA-N 301.324 -0.486 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c1 706680198 HXYQGYNKKBWGST-NXEZZACHSA-N 303.296 -0.582 5 10 DBBE COC(=O)CN(C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722212161 ARUOGPIXNSBRJB-UHFFFAOYSA-N 303.296 -0.030 5 10 DBBE COC(=O)C(=O)[C@H](C)OC(=O)Cn1cc([N+](=O)[O-])ccc1=O 778307565 HECCORSPPVOTSK-ZETCQYMHSA-N 312.234 -0.570 5 10 DBBE CC(=O)NC[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1142579679 VGKJJHRMFXHEBB-JTQLQIEISA-N 310.314 -0.439 5 10 DBBE O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1n[nH]cc1[N+](=O)[O-] 1329544450 GOQVHKKEKIOLHF-VIFPVBQESA-N 323.309 -0.172 5 10 DBBE COCC1(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 1356777538 FCMKDCPKBKZGBZ-GHMZBOCLSA-N 311.338 -0.205 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1C(=O)CCCC1=O 1465334865 QZAIZLMJNLVYGC-UHFFFAOYSA-N 323.309 -0.245 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nc(C)c[nH]1 1496739610 KYVXZGLVMWPHKG-NXEZZACHSA-N 309.326 -0.038 5 10 DBBE CCN(C)CCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1536355996 YORXJDINCKTKNA-VXGBXAGGSA-N 312.370 -0.337 5 10 DBBE O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1C[C@H](O)[C@@H](CO)C1 1570213304 BAHZOVSYGQRYQW-SCZZXKLOSA-N 310.262 -0.251 5 10 DBBE NS(=O)(=O)C1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 1570262787 OTUGMHQMOBHZKD-UHFFFAOYSA-N 315.307 -0.527 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1N1CC2(C[C@@H](O)CNC2=O)C1 1643188057 ZGKZPQZQBQYRIA-SECBINFHSA-N 309.326 -0.193 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2cc(Cl)ncc2[N+](=O)[O-])C1 1914986069 DERGLCRXKDCWTQ-UHFFFAOYSA-N 320.714 -0.244 5 10 DBBE CN=c1[nH]c(N[C@@H]2CCS(=O)(=O)[C@H]2C)ncc1[N+](=O)[O-] 2157682938 YRULXZHNAAZGSV-NKWVEPMBSA-N 301.328 -0.164 5 10 DBBE CCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2175280999 RZGIHKXKCDHZRS-UHFFFAOYSA-N 323.352 -0.070 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=N[C@@H]2C[P@@](C)(=O)C[C@H]2O)[nH]1 2177955625 ZWNVWRKYOQYUQO-WULHADROSA-N 301.243 -0.582 5 10 DBBE O=[N+]([O-])c1cnc[nH]c1=NCCCNS(=O)(=O)C1CC1 2235292657 XICQYWYGSWHMDB-UHFFFAOYSA-N 301.328 -0.310 5 10 DBBE CNC1CC(S(=O)(=O)NCc2nn(C)cc2[N+](=O)[O-])C1 2240643368 XBRKMPFLPXHUGP-UHFFFAOYSA-N 303.344 -0.502 5 10 DBBE O=[N+]([O-])c1c(N[C@H]2C[C@@H](O)[C@H](O)[C@@H]2O)nc2sccn12 2354718393 VEZTTXQAQOKEIF-WNJXEPBRSA-N 300.296 -0.429 5 10 DBBE O=C(O)[C@@H](O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 90263037 LVNOSUDIYCTBMX-QMMMGPOBSA-N 306.252 -0.976 5 10 DBBE CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CC1=O 125630412 FEQYPWUYPIOXGY-UHFFFAOYSA-N 320.352 -0.299 5 10 DBBE CN1CCO[C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]21 284455906 KYRQJGKIZFXYAG-MNOVXSKESA-N 309.326 -0.277 5 10 DBBE NC(=O)[C@@]1(O)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 367004006 QKYIVMFISGEFLC-CQSZACIVSA-N 322.321 -0.155 5 10 DBBE CO[C@@H]1CCOC[C@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1176463499 HYFQPHRCFYXNHN-IJLUTSLNSA-N 300.315 -0.454 5 10 DBBE COc1c(C(=O)N2CC3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] 1180852454 XKRSBZJYSPKVJW-UHFFFAOYSA-N 320.261 -0.363 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1[C@H](CO)CC[C@H]1CO 1452459941 HUEMHJCTQXTMLK-RWMBFGLXSA-N 310.306 -0.028 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCCCNC1=O 1464121136 ICLYTLQFUIPJQE-VIFPVBQESA-N 308.294 -0.459 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 1544957940 AEOKLUCGIQJJTC-SNVBAGLBSA-N 319.277 -0.447 5 10 DBBE CN(C)C(=O)CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1577035965 XYNZWDYFNCXTBK-NXEZZACHSA-N 314.342 -0.905 5 10 DBBE CCC[C@H](O)[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1637665314 CROWFANXYASXJA-MNOVXSKESA-N 313.310 -0.605 5 10 DBBE Nc1ncc(C(=O)NC[C@@H]2CN3CCN2CC3)cc1[N+](=O)[O-] 1648669827 ULNBDLPKGZPAID-SNVBAGLBSA-N 306.326 -0.698 5 10 DBBE Cc1[nH]nc(C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c1[N+](=O)[O-] 1648899483 JBYQPORUTROVRG-KNVOCYPGSA-N 307.266 -0.687 5 10 DBBE COCCN1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1713805893 SJWBWPNAALYTBR-VXGBXAGGSA-N 300.359 -0.968 5 10 DBBE N[C@@H]1COC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2149989141 STRXBBSLILPUFO-RKDXNWHRSA-N 305.287 -0.262 5 10 DBBE CO[C@H]1C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 2188221324 PCBZVTHYBACTRL-APPZFPTMSA-N 302.312 -0.054 5 10 DBBE NC(=O)[C@H]1CCN1S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2232793463 ZDMPGUFSAMRWQR-MRVPVSSYSA-N 303.271 -0.018 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2289486113 SAQJHQFYICIPMH-DTLFHODZSA-N 304.690 -0.812 5 10 DBBE NNc1cccc(S(=O)(=O)NCCC(N)=O)c1[N+](=O)[O-] 126689624 VGWMXKBADCYBOC-UHFFFAOYSA-N 303.300 -0.966 5 10 DBBE CN1C(=O)NC2(CCN(c3c([N+](=O)[O-])cnn3C)CC2)C1=O 1612217774 FYXRASTXVIHDOC-UHFFFAOYSA-N 308.298 -0.151 5 10 DBBE CN1CCN(CC2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 1628387537 MZKONYPMBOXBAD-UHFFFAOYSA-N 308.342 -0.363 5 10 DBBE NC(=O)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1O)C(=O)O 1866176993 YLUMFKJIZSEOAP-SSDOTTSWSA-N 311.250 -0.251 5 10 DBBE O=[N+]([O-])c1nc(Br)n(CC2=NO[C@@H]3CNC[C@H]23)n1 2068452949 NGWOPVCJZBEWLQ-INEUFUBQSA-N 317.103 -0.077 5 10 DBBE C[S@@](=O)(CC1CNC1)=NC(=O)Cn1ccc([N+](=O)[O-])n1 2165757054 YGVVOSWPDGMDGV-HXUWFJFHSA-N 301.328 -0.365 5 10 DBBE NCc1nc(=NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)s[nH]1 2187513833 JLTCPEZSOUQUQD-UHFFFAOYSA-N 316.324 -0.477 5 10 DBBE COC(=O)[C@@H](N)CC[S@@](=O)Cc1nn(C)cc1[N+](=O)[O-] 2195299524 UUDDUIAEIZMKOP-SVWIBVJCSA-N 304.328 -0.533 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1NC[C@H](O)[C@@H]1O 2201148844 JLIXTXLGPKIOHT-AEJSXWLSSA-N 301.686 -0.120 5 10 DBBE CS(=O)(=O)C[C@H](N=c1c(Cl)c[nH]cc1[N+](=O)[O-])C(=O)O 2360620534 KESOJXYBIFMLKU-LURJTMIESA-N 323.714 -0.025 5 10 DBBE CO[C@@H](CN)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2365426133 DQGWASODWFIRKK-QMMMGPOBSA-N 307.303 -0.014 5 10 DBBE O=C(O)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 20544992 LVPLNVXNQLJWRN-ZCFIWIBFSA-N 308.243 -0.542 5 10 DBBE CN(CCO)C(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1 585842464 TWCZJTVUFSHAAF-UHFFFAOYSA-N 310.310 -0.042 5 10 DBBE CCOC(=O)C[C@H](CO)NC(=O)c1nn(C)cc1[N+](=O)[O-] 597681595 VXLYWDSQRYNTKQ-SSDOTTSWSA-N 300.271 -0.628 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H](O)[C@@H]1CCCO1 599391964 NSDGEGMNTWRXQM-IUCAKERBSA-N 317.323 -0.192 5 10 DBBE CN(C)c1ncc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)n1C 1116065329 NYASXTNSVZMHOR-UHFFFAOYSA-N 308.302 -0.698 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)CN1CCOCC1 1138764393 BAZWODJEYCGTNN-JTQLQIEISA-N 324.337 -0.400 5 10 DBBE C[C@H]1[C@@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)CCS1(=O)=O 1321956792 RMISMDJEBHSYSK-SFYZADRCSA-N 317.327 -0.780 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](N2CCC2)[C@H](F)C1 1328361128 ZHYDODPUHDLLIN-NXEZZACHSA-N 312.305 -0.169 5 10 DBBE COC(=O)Cc1ccc(NCC(=O)NCCO)c([N+](=O)[O-])c1 1472722996 QYUXXVZREMQUCM-UHFFFAOYSA-N 311.294 -0.169 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC2(CC1)COCCO2 1633126867 WREWPXPAYQBVJO-UHFFFAOYSA-N 311.298 -0.406 5 10 DBBE CCn1ncc([N+](=O)[O-])c1C(=O)OCCN1CCOCC1=O 1850567911 MNHBRMGBULQMEK-UHFFFAOYSA-N 312.282 -0.173 5 10 DBBE COc1cc(NC(=O)CNC(=O)CN)c([N+](=O)[O-])cc1OC 1866015243 UYEXGMBRWTUXPY-UHFFFAOYSA-N 312.282 -0.375 5 10 DBBE Nc1nc(N2CC[C@H](CS(N)(=O)=O)C2)ccc1[N+](=O)[O-] 2144390464 SXJQWFVEOBJIDT-ZETCQYMHSA-N 301.328 -0.313 5 10 DBBE O=[N+]([O-])c1cccc(=NCCN2CCS(=O)(=O)CC2)[nH]1 2184619565 UDIFUKKFQCUYTK-UHFFFAOYSA-N 300.340 -0.446 5 10 DBBE COC(=O)[C@H](N)CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1 2286057206 GOTOGUSMFGBSSG-SECBINFHSA-N 303.296 -0.163 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCNC2=O)c1 50661729 YSIVXZOAULTKFG-MRVPVSSYSA-N 314.323 -0.266 5 10 DBBE COC[C@@H](CO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 229012014 PDYNFBOKPKCACC-SSDOTTSWSA-N 306.296 -0.414 5 10 DBBE COC(=O)[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 426965383 PFZLLHQDTXVPCD-VIFPVBQESA-N 311.298 -0.004 5 10 DBBE O=[N+]([O-])c1c(NCCc2nc[nH]n2)ncnc1N1CCOCC1 598606029 YOGWJBWTDYKYNN-UHFFFAOYSA-N 320.313 -0.006 5 10 DBBE O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CNC[C@@H]1O 699966574 IDZPGPWWUHNCOD-CBAPKCEASA-N 321.742 -0.141 5 10 DBBE CN(CCS(N)(=O)=O)c1nccc(C(=O)O)c1[N+](=O)[O-] 719722824 YHDJAEANAUQCAQ-UHFFFAOYSA-N 304.284 -0.587 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC1C[C@@H]2C[C@H]2C1 1326252191 BUYJECOURLSLKF-IUCAKERBSA-N 307.310 -0.178 5 10 DBBE Cn1cnnc1N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 1346490838 FKLBVALTJOLMOK-UHFFFAOYSA-N 306.286 -0.591 5 10 DBBE CCn1ncc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1483732014 AYUCWQZGSSFLPG-GHMZBOCLSA-N 308.342 -0.298 5 10 DBBE Cc1nc(C)n(CCNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1483732858 NUBBKGPNOGTHOJ-VXGBXAGGSA-N 322.369 -0.201 5 10 DBBE NC(=O)C(=O)NC1(CCO)CN(Cc2ccccc2[N+](=O)[O-])C1 1570763805 QHOKGPUWIWBCHH-UHFFFAOYSA-N 322.321 -0.867 5 10 DBBE CC(C)(O)CN1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 1631757637 NUKSVHVIUHJHLT-JTQLQIEISA-N 311.342 -0.247 5 10 DBBE CCc1nn(C)c(C2(C(=O)O)CS(=O)(=O)C2)c1[N+](=O)[O-] 2146099809 HOWHDKFVTJUIFS-UHFFFAOYSA-N 303.296 -0.359 5 10 DBBE O=[N+]([O-])c1c(NCC2(O)CS(=O)(=O)C2)nc2sccn12 2283074456 UEINCGGIPNUVKC-UHFFFAOYSA-N 318.336 -0.125 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(CN2CCOCC2)CC1 371765923 LZOFTQHBQUIPIA-VXGBXAGGSA-N 313.354 -0.663 5 10 DBBE CC(C)(C)OC(=O)C1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 456089048 VEBFICDPLPFKRD-UHFFFAOYSA-N 311.298 -0.014 5 10 DBBE CC(=O)N[C@@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594785227 LMPDTXZWHLPXBS-SECBINFHSA-N 314.323 -0.111 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@H]1COCCO1 690765684 MBANWOANXBQMGI-ZETCQYMHSA-N 306.300 -0.837 5 10 DBBE CCN(CC(N)=O)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722113758 KWPSKSMBOMXUIW-UHFFFAOYSA-N 302.312 -0.327 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)[C@H](C)O)CC1 1168893446 JEBHZKLZERHFBW-JTQLQIEISA-N 311.342 -0.375 5 10 DBBE O=C1N[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@H]2CO1 1300300759 KVDKLCSRPGRVPU-JGVFFNPUSA-N 310.270 -0.857 5 10 DBBE Cn1cc(CN2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c([N+](=O)[O-])n1 1307994321 NOGBKFLJDVDBKH-BETUJISGSA-N 307.310 -0.187 5 10 DBBE O=C(COc1cccnc1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1498295117 IPMNWEQPLDEUMS-VXGBXAGGSA-N 320.305 -0.547 5 10 DBBE CN1CC[C@@](O)(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 1567317855 YWBRXTPRIKTNEN-GXTWGEPZSA-N 309.322 -0.189 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN[C@H](c2cn[nH]c2)C1 1642161176 KXESCHCVHXVKGT-NSHDSACASA-N 319.325 -0.004 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccnn1 1721852302 OOUKLPABBOBCHE-UESFQREOSA-N 305.294 -0.456 5 10 DBBE C[C@H](O)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2174118226 FTUAPLTZWSMYTK-XPUUQOCRSA-N 308.287 -0.246 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1cc(N)cc([N+](=O)[O-])c1 2192658496 LZBYNVRAWHGSNM-GHMZBOCLSA-N 300.340 -0.026 5 10 DBBE Cc1cc(=N[C@H]2COC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])c[nH]1 2207466333 QVUKELYTEOWAFP-GXSJLCMTSA-N 301.324 -0.056 5 10 DBBE O=[N+]([O-])c1cnc[nH]c1=NCCNS(=O)(=O)C(F)(F)F 2235290310 KKNCJSISKBWETR-UHFFFAOYSA-N 315.233 -0.342 5 10 DBBE NNc1ccc([N+](=O)[O-])c(C(=O)N2CCS(=O)(=O)CC2)c1 51143968 CCGDGVSMYHCRPE-UHFFFAOYSA-N 314.323 -0.249 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC(CO)CO)c(Cl)c1 87752260 AJEOJEZCPGGARK-UHFFFAOYSA-N 310.715 -0.120 5 10 DBBE NNc1sc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 157447948 WLQKTTCGNFAKNG-UHFFFAOYSA-N 308.341 -0.037 5 10 DBBE CCn1cc(S(=O)(=O)N2CC(C)(CO)C2)c([N+](=O)[O-])n1 575881981 DTLVUAZUGDYGGF-UHFFFAOYSA-N 304.328 -0.186 5 10 DBBE COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593642483 SHJPRPQMFMNYFI-VHSXEESVSA-N 317.323 -0.240 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@H](C2)N3)n1 599100472 ISWGGWTXQLWPQT-DTORHVGOSA-N 315.355 -0.157 5 10 DBBE C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)CO 698919616 PDSSPVOKKKOIPD-RCOVLWMOSA-N 308.287 -0.246 5 10 DBBE C[C@@H](C[N+](=O)[O-])OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 814037892 IRVOTVWEZVKJDE-GZCSZBLOSA-N 312.278 -0.643 5 10 DBBE CO[C@@H](Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)[C@@H]1CCOC1 1118413712 YFMRPBLTRTWHLT-KCJUWKMLSA-N 311.294 -0.093 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)n1 1544616500 OORQYNMAQMPWEK-ZETCQYMHSA-N 307.266 -0.652 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NCc1nnc2n1CCNC2=O 1596638135 CZQCOVSXJKCKKE-UHFFFAOYSA-N 319.281 -0.802 5 10 DBBE C[C@H](O)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1 1626328778 RPGCSVRTXRQQRM-GXSJLCMTSA-N 311.294 -0.635 5 10 DBBE NS(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 1638945351 INUSMTOFHQWMLM-UHFFFAOYSA-N 317.298 -0.224 5 10 DBBE CCn1cc(CN(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1712946174 TUPIDQLQAUOVKW-VXGBXAGGSA-N 310.358 -0.099 5 10 DBBE Cn1c(C(=O)NC[C@@H](O)Cn2ccccc2=O)cnc1[N+](=O)[O-] 1891132193 IJJPXHNCSIVRKW-SECBINFHSA-N 321.293 -0.719 5 10 DBBE CS(=O)(=O)c1ccc(N[C@H](CO)C(=O)O)c([N+](=O)[O-])c1 1962726314 FZFWLEMABJFRKK-MRVPVSSYSA-N 304.280 -0.144 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COC[C@H]2CO)cn1 2146504204 KMTOCBLMOURSTR-APPZFPTMSA-N 303.296 -0.725 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NOC1CNC1 2179468376 IGNMNNQSGPDULX-UHFFFAOYSA-N 303.296 -0.215 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1N=c1ccc([N+](=O)[O-])c(N)[nH]1 2207471963 SLNNUHIJAVMWTG-POYBYMJQSA-N 302.312 -0.782 5 10 DBBE O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@](O)(CO)[C@H](O)C1 2234107169 PPOIXYIYVSQNMM-MWLCHTKSSA-N 303.702 -0.062 5 10 DBBE CS(=O)(=O)N1CC[C@H](Oc2nccc(N)c2[N+](=O)[O-])C1 2285596708 HQPNLMVYCFYQRY-ZETCQYMHSA-N 302.312 -0.015 5 10 DBBE N[C@H](CS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)O 2286034050 BWZUGQDMNWQVJM-SECBINFHSA-N 303.296 -0.574 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]2[C@H](O)CO)cc1 2286210830 MWCOGJXQMHWUQW-WDEREUQCSA-N 302.308 -0.289 5 10 DBBE Cc1ncc([N+](=O)[O-])c(N[C@@H]2COC[C@H]2S(C)(=O)=O)n1 2286608595 BZRVHKRAFBBKHU-VXNVDRBHSA-N 302.312 -0.083 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50674397 UBGLEBISBQZTPR-LURJTMIESA-N 302.312 -0.410 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 133979264 NYNSFATUESNZEE-GOSISDBHSA-N 307.353 -0.166 5 10 DBBE O=C(NC(CO)(CO)CO)c1ccc(Cl)c([N+](=O)[O-])c1 236491815 ZRVUQGLQBADCAI-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE C[C@H](O)[C@@H](NS(=O)(=O)c1cncc([N+](=O)[O-])c1)C(=O)O 312254021 FYVOPUOICCWDCH-YLWLKBPMSA-N 305.268 -0.898 5 10 DBBE Cc1c(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cnn1C 599265933 MDFVLRSGHPWVET-UHFFFAOYSA-N 314.327 -0.151 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1COCCO1 849371291 LUQZKQQXMFZRGG-MRVPVSSYSA-N 303.296 -0.317 5 10 DBBE COc1cc(S(=O)(=O)N[C@H]2CCNC2=O)ccc1[N+](=O)[O-] 849410441 LEOPYBHKZRSQGX-QMMMGPOBSA-N 315.307 -0.230 5 10 DBBE O=C(NC1CCN([C@H]2CCOC2=O)CC1)c1cc([N+](=O)[O-])n[nH]1 1151971737 ZCCDBCFUNWNSTR-JTQLQIEISA-N 323.309 -0.172 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cnoc1 1284612211 XHPZIBBGQXHRCC-GHMZBOCLSA-N 310.310 -0.153 5 10 DBBE CCn1cc(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1351465974 GUWRQVMDFHPOHJ-MWLCHTKSSA-N 324.341 -0.459 5 10 DBBE CC[C@]1(C)NC(=O)N(CC(=O)Nc2c([N+](=O)[O-])ncn2C)C1=O 1521389294 XWQZNRBORIPLPA-LBPRGKRZSA-N 324.297 -0.013 5 10 DBBE CNC(=O)NC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1570326893 WDFYGBNBYNQANO-UHFFFAOYSA-N 311.302 -0.894 5 10 DBBE CCN(CCNC(=O)Cc1[nH]cnc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1745349042 NWOZUWKHVXACMK-ZYHUDNBSSA-N 323.353 -0.109 5 10 DBBE C[S@@](=O)(CCN)=NS(=O)(=O)c1cncc([N+](=O)[O-])c1 1924726583 CSGNCYCLKIZLBL-GOSISDBHSA-N 308.341 -0.265 5 10 DBBE NCCN(CCN)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2152185796 BGNDQZKROLZUNV-UHFFFAOYSA-N 302.356 -0.356 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNCCSC2)cn1 2153603999 CXDYGUSJIIHAHR-MRVPVSSYSA-N 318.380 -0.027 5 10 DBBE NNc1cccc(S(=O)(=O)NC[C@H]2CCO2)c1[N+](=O)[O-] 2189564995 VDLFQGDICQBHOO-SSDOTTSWSA-N 302.312 -0.052 5 10 DBBE CS(=O)(=O)N1CC[C@H](Oc2ncnc(N)c2[N+](=O)[O-])C1 2285599616 JOLDOOVPZDVYQF-LURJTMIESA-N 303.300 -0.620 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](O)CN1CCOCC1 154118446 NLZAERODARWLGC-ZDUSSCGKSA-N 323.349 -0.053 5 10 DBBE C[C@@H](O)[C@@H](N)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 312567722 LFFGNZNQNLAOKF-SVRRBLITSA-N 307.303 -0.280 5 10 DBBE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] 592869970 APQXPFICBBKKPV-QMMMGPOBSA-N 310.314 -0.490 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCCOCCO)nc1 593574930 CWGYGNOOFCGBIY-UHFFFAOYSA-N 305.312 -0.333 5 10 DBBE C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1S(C)(=O)=O 595761752 GQXJTQVRFWDVEY-SNVBAGLBSA-N 317.371 -0.243 5 10 DBBE O=C1CCCN1CCCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 610335878 YKUJILXIDDQPTF-LBPRGKRZSA-N 311.342 -0.246 5 10 DBBE CN(CCN1CCCS1(=O)=O)CCn1ccc([N+](=O)[O-])n1 610604383 PDCIUPLHRFOROP-UHFFFAOYSA-N 317.371 -0.241 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N[C@@H]1CNC[C@H]1O 699916311 DRKZHNJNCMURIN-VXNVDRBHSA-N 305.287 -0.655 5 10 DBBE COC(=O)CCNC(=O)COC(=O)c1ccc([N+](=O)[O-])cn1 761983782 RFPGBEKOHVIDKC-UHFFFAOYSA-N 311.250 -0.174 5 10 DBBE O=C1NCC[C@H]1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 822133789 UEHDTWQSTUCGPK-SSDOTTSWSA-N 301.280 -0.533 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(CCN(C)C)CC1 929458353 QXVWGMKBZSFAPV-UHFFFAOYSA-N 324.385 -0.194 5 10 DBBE C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 1137984371 LMKTXOSRCNCDJC-SECBINFHSA-N 322.321 -0.158 5 10 DBBE O=C(NCC1(O)CCC2(CC1)OCCO2)[C@@H]1C[C@H]1[N+](=O)[O-] 1178317434 UCSZZKZDDVRVFZ-NXEZZACHSA-N 300.311 -0.184 5 10 DBBE CCCN(C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1285946206 KOMPEDDPCRJJIM-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE CCn1ccnc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1298371885 OZABKXBNMZUCAU-YIZUVKHSSA-N 321.337 -0.030 5 10 DBBE CN(CCc1ncon1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1456208289 RFQPPNAKSXTVBH-UHFFFAOYSA-N 307.266 -0.159 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCC(=O)NCC(F)F)n1 1530871872 NFNPFAVIPTYJOQ-UHFFFAOYSA-N 305.241 -0.078 5 10 DBBE CCO[C@@H]1COC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1532815513 JQOUDDCEVBQKBN-GHMZBOCLSA-N 311.294 -0.323 5 10 DBBE NC(=O)C1(O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 1645613644 BRQITFLQJRCQEU-GFCCVEGCSA-N 309.322 -0.060 5 10 DBBE O=C(CCc1cnc[nH]1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1704575366 MONFKYOBPGVBOI-VXGBXAGGSA-N 321.337 -0.418 5 10 DBBE CN(C)S(=O)(=O)c1ccc(NNCCO)c([N+](=O)[O-])c1 2149180527 TUZMCSRQEGPEDT-UHFFFAOYSA-N 304.328 -0.246 5 10 DBBE CCNS(=O)(=O)CCN=c1nc(OC)c([N+](=O)[O-])c[nH]1 2157677518 WXVHMCYQZDQDMZ-UHFFFAOYSA-N 305.316 -0.834 5 10 DBBE C[S@](=O)CCCCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 2166656115 CFYWWJWGOCPCMQ-GIPWTMENSA-N 304.372 -0.100 5 10 DBBE NNc1cc([N+](=O)[O-])cc(=NCCS(=O)(=O)C2CC2)[nH]1 2290131583 AWEYNYDRGISQOD-UHFFFAOYSA-N 301.328 -0.314 5 10 DBBE CO[C@@H](CN)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2365421641 KSXRONLGLULXAE-ZETCQYMHSA-N 304.328 -0.372 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 110675085 WPTNZFQVIKOAMX-ZETCQYMHSA-N 314.323 -0.314 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H](CO)C2)cn1 167697148 ZKNLHQVHRMENCI-QMMMGPOBSA-N 303.296 -0.628 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](O)CN1CCCCC1 347464847 OYVHRFBWSRFUHX-JTQLQIEISA-N 311.342 -0.095 5 10 DBBE COCCN(CC(=O)N(C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] 357949134 SYAXGFOLWGDDSU-UHFFFAOYSA-N 313.314 -0.495 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC[C@H](O)C2)cn1 400361407 YFYQVURCTCBKCK-MRVPVSSYSA-N 303.296 -0.628 5 10 DBBE CN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593571311 RLBKIDOKUQDXCP-MRVPVSSYSA-N 300.296 -0.501 5 10 DBBE CN(C)C[C@@](C)(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594766369 VCTOSIVOSQOCHA-NSHDSACASA-N 318.355 -0.419 5 10 DBBE CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594785752 TXNARPBYIYWARN-SECBINFHSA-N 319.339 -0.258 5 10 DBBE CC(C)(C)CS(=O)(=O)NC(=O)Cn1cnc([N+](=O)[O-])n1 733057474 KXOYMOBOQLIHMU-UHFFFAOYSA-N 305.316 -0.322 5 10 DBBE C[C@]12CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O 1471029693 HZXGODCZWOWYHX-VXGBXAGGSA-N 307.266 -0.557 5 10 DBBE NC(=O)c1ccnc(N2CC(N3CCOCC3)C2)c1[N+](=O)[O-] 1559226388 JESPDPQLGWJVPE-UHFFFAOYSA-N 307.310 -0.391 5 10 DBBE Cc1nc(N2CCO[C@@H](CS(C)(=O)=O)C2)ncc1[N+](=O)[O-] 1612994316 SAOLNLHNVCHYIX-SECBINFHSA-N 316.339 -0.057 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2C[C@H]3COC[C@H]3O2)c1=O 1613452375 NVMRWGFTNMNKET-OVYXKVPISA-N 309.278 -0.341 5 10 DBBE O=C(CC1(O)CCC1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759695255 NXTGGWIWHUOQOT-COUIAZAYSA-N 311.338 -0.255 5 10 DBBE CS(=O)(=O)N(CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 1858002379 FGSPIFILQZYQCU-LLVKDONJSA-N 304.324 -0.118 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2174119246 OQQFZQZSRHGIFT-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE Cc1[nH]c(=NC[C@@H]2NC[C@@H](O)[C@H]2O)c(Cl)cc1[N+](=O)[O-] 2233970346 DBUPECYHBNARRY-SFGNSQDASA-N 302.718 -0.521 5 10 DBBE O=C(N[C@@]1(C(=O)O)CCSC1)c1cc([N+](=O)[O-])c[nH]c1=O 43508907 VJSNBKZEGMVNGI-NSHDSACASA-N 313.291 -0.027 5 10 DBBE C[C@H](O)CN(C)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 126769672 VGNXQABGZQINIR-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE CN(C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1cnn(C)c1 172147729 LJJGEKOVNFCYKA-GFCCVEGCSA-N 321.341 -0.056 5 10 DBBE Cc1nc(NN)nc(N[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 235964126 RMZBIDURQYJLCV-ZCFIWIBFSA-N 302.316 -0.422 5 10 DBBE CN1CC2(CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)OC1=O 496128604 YOJYPYLYVHTLSU-UHFFFAOYSA-N 307.266 -0.151 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[C@H](O)C2)n1 599287378 CSMACSFNQAIZEJ-SFYZADRCSA-N 304.328 -0.232 5 10 DBBE CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)C[C@H](N)C(=O)O 691682238 PUPZXBNATGXWRN-VIFPVBQESA-N 303.296 -0.227 5 10 DBBE CCON(C)C(=O)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 845066160 UFKHETPNNIOAPT-UHFFFAOYSA-N 314.302 -0.500 5 10 DBBE NC(=O)CN1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2O)C1 1144429348 SCSBXFKJQQZGEM-SECBINFHSA-N 322.321 -0.020 5 10 DBBE CN=[S@@](C)(=O)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1301476141 UVBZRKBOOFPHAM-NRFANRHFSA-N 316.339 -0.400 5 10 DBBE O=C(NC[C@H](O)CN1CCCC1=O)c1ccc([N+](=O)[O-])cn1 1319891986 CUAFHOGVICPWCL-JTQLQIEISA-N 308.294 -0.297 5 10 DBBE CCN(C(=O)Cn1c([N+](=O)[O-])cnc1C)[C@@H]1CC(=O)NC1=O 1442525161 RNXRNFAKBVWJCH-MRVPVSSYSA-N 309.282 -0.637 5 10 DBBE O=C(CO)NCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1465767307 IBXARFBTGSGHHE-UHFFFAOYSA-N 307.306 -0.022 5 10 DBBE CN(C)S(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1N 1641886161 CKAONZUJUGDQQR-UHFFFAOYSA-N 316.339 -0.202 5 10 DBBE Cn1cc(CCC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1703364578 ZMNDBUYZBDYZOF-VXGBXAGGSA-N 323.353 -0.360 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NC[C@H]2COC[C@H]2O)c1 2154107782 CDVHJGSIYGEOAS-OIBJUYFYSA-N 303.296 -0.725 5 10 DBBE N[C@@H]1CC[S@](=O)(=NS(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2154387939 HZHKMIGWZZMPLO-QOLSBQFWSA-N 320.352 -0.123 5 10 DBBE Cc1nc(S(N)(=O)=O)cn1Cc1nn(C)cc1[N+](=O)[O-] 2159118160 FFMJJHWANDLWBZ-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C[C@@H]2O)cn1 2164981108 QTOBEWHHXFQMSZ-VDAHYXPESA-N 303.296 -0.848 5 10 DBBE Cc1[nH]c(=N)[nH]c(=NCCS(=O)(=O)C(F)F)c1[N+](=O)[O-] 2232495264 PYRAHBUGKBLMKO-UHFFFAOYSA-N 311.270 -0.423 5 10 DBBE COC(=O)CN(CC(=O)OC)c1c([N+](=O)[O-])c(C)nn1C 61876507 ABTIUJGIONYOIR-UHFFFAOYSA-N 300.271 -0.211 5 10 DBBE C[C@@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 132201328 DFXAYCJMKNFJMJ-MRVPVSSYSA-N 304.328 -0.762 5 10 DBBE CNS(=O)(=O)c1ccc(N2CC(CO)C2)c([N+](=O)[O-])c1 182943473 BXCDLUCZIIJMIX-UHFFFAOYSA-N 301.324 -0.069 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](O)C[C@@H](O)C2)s1 611281350 SCEQPXUMICYHLU-KNVOCYPGSA-N 322.364 -0.008 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 1136158006 MKHAPAQMZLYBCY-ZETCQYMHSA-N 302.312 -0.507 5 10 DBBE O=C1NCC[C@@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]12 1303006965 AHIOQEWAOIHYKP-JOYOIKCWSA-N 307.310 -0.082 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H](O)[C@@H]1CCCO1 1453441394 ZWERNJXDGVWZSH-RYUDHWBXSA-N 311.294 -0.587 5 10 DBBE Cn1nncc1CNCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 1481896516 SVUGNBHGDJZVFB-VXGBXAGGSA-N 322.369 -0.001 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nccnc1N 1582940550 UPBMCHFCYHPFJA-RKDXNWHRSA-N 322.325 -0.746 5 10 DBBE CN1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC1=O 1628281736 VQDZRWLGRPBGIH-SECBINFHSA-N 308.294 -0.507 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](S(N)(=O)=O)C1 1653043841 DRVGNUNEQJJLPN-JTQLQIEISA-N 317.371 -0.147 5 10 DBBE CCn1nncc1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689077108 XQZPNKXVQUOODL-NXEZZACHSA-N 324.341 -0.506 5 10 DBBE NNc1sc(S(=O)(=O)N[C@H]2[C@H]3COC[C@H]32)cc1[N+](=O)[O-] 2174659018 HROAYICTVZRSED-UAJQPJLXSA-N 320.352 -0.135 5 10 DBBE C[C@@H]1CN(S(=O)(=O)N=c2cc[nH]cc2[N+](=O)[O-])CCN1 2202432619 TVOKIBJYCMKPLA-MRVPVSSYSA-N 301.328 -0.638 5 10 DBBE Nc1sc(S(=O)(=O)N2CC([C@H](O)CO)C2)cc1[N+](=O)[O-] 2362001801 SJJAFYPSOSMYMZ-SSDOTTSWSA-N 323.352 -0.788 5 10 DBBE O=C(O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 20557494 DZSAVWSENRTBEA-WCBMZHEXSA-N 316.291 -0.197 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC(N)=O)c1 37930046 JVMGGPYSMBEMGV-UHFFFAOYSA-N 303.300 -0.966 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](CO)Cc1ccccc1 347438053 MHHMIJGCHZWNLZ-NSHDSACASA-N 305.294 -0.094 5 10 DBBE CN1CC[C@H](N(C)S(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594761114 DWEASQYIUUQTBU-VIFPVBQESA-N 314.323 -0.159 5 10 DBBE CN(C)C[C@@]1(O)CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 597574620 RDFKLUTVHMDPKD-AWEZNQCLSA-N 323.353 0.101 5 10 DBBE COC[C@@](C)(CO)NS(=O)(=O)c1cncc([N+](=O)[O-])c1 716855176 MBNXULQXGUJSBP-SNVBAGLBSA-N 305.312 -0.335 5 10 DBBE O=C(COC(=O)[C@@H]1CNC(=O)N1)Nc1ccccc1[N+](=O)[O-] 732360815 JBNHBGBXUMPBQG-QMMMGPOBSA-N 308.250 -0.242 5 10 DBBE CN1CCN(C)CC(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 907066719 XDYLFJLCDSTQBU-UHFFFAOYSA-N 310.358 -0.599 5 10 DBBE C[C@H]1OCC[C@]12CN(C(=O)Cn1cnc([N+](=O)[O-])n1)CCO2 1116874960 XENQIAMMZPDQPW-SKDRFNHKSA-N 311.298 -0.407 5 10 DBBE COC(=O)[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@@H](C)O1 1166698391 OYHSYDANWQLUOQ-XCBNKYQSSA-N 324.293 -0.026 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CC(N2CCOCC2)C1 1307156010 DERLMDUXYOLQNI-UHFFFAOYSA-N 307.310 -0.391 5 10 DBBE CONC(=O)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 1536975868 HTCYQGNHJYHLKX-UHFFFAOYSA-N 324.293 -0.492 5 10 DBBE COc1ccc(CNC(=O)CCNC(=O)CO)cc1[N+](=O)[O-] 1544902355 FBCISNSDADEGLH-UHFFFAOYSA-N 311.294 -0.282 5 10 DBBE CCn1ncc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1575809203 YZWHIAXTYRXRDM-PSASIEDQSA-N 310.314 -0.801 5 10 DBBE NC(=O)[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCO1 1631479153 BIDKEUXMRVGWQH-SNVBAGLBSA-N 311.269 -0.011 5 10 DBBE NS(=O)(=O)CCOCCNc1ncc([N+](=O)[O-])cc1F 1639883679 UWPBBWFTSCVWKA-UHFFFAOYSA-N 308.291 -0.154 5 10 DBBE CN(c1ncnc(N)c1[N+](=O)[O-])[C@H]1CS(=O)(=O)C1(C)C 2153843763 YNKDAMGUKGJPOI-LURJTMIESA-N 301.328 -0.021 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(c2[nH]c(=N)ccc2[N+](=O)[O-])C1 2170673055 GLABFQRRMWAFHS-SSDOTTSWSA-N 301.328 -0.470 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1cc(N)cc([N+](=O)[O-])c1 2192658499 LZBYNVRAWHGSNM-WDEREUQCSA-N 300.340 -0.026 5 10 DBBE N[C@@]1(C(=O)Nc2ncccc2[N+](=O)[O-])CCS(=O)(=O)C1 2202434625 UNDPUEQTKNPZTP-JTQLQIEISA-N 300.296 -0.556 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 49102089 PHBQBLUBMQAMTD-LURJTMIESA-N 317.327 -0.707 5 10 DBBE NC(=O)[C@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 88664390 AQHSRDOOSRKZGS-SNVBAGLBSA-N 314.323 -0.957 5 10 DBBE COC(=O)[C@@H](CO)NC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 88802704 RKIADGKKWHFDFQ-ZCFIWIBFSA-N 303.658 -0.093 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1cccc(NN)c1[N+](=O)[O-] 157135987 KSPSAWKOKMSYNG-UHFFFAOYSA-N 317.327 -0.841 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC[C@H]2CO)c1 168656405 CIVHJNSKFJSFTM-SNVBAGLBSA-N 302.308 -0.023 5 10 DBBE COCC[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 312156922 RTVURKYLDYDSMM-QMMMGPOBSA-N 305.312 -0.335 5 10 DBBE CCn1cc(S(=O)(=O)N[C@@H](CF)C(=O)OC)c([N+](=O)[O-])n1 344961148 VYEXYGNVZHRTMR-LURJTMIESA-N 324.290 -0.399 5 10 DBBE C[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CCN1CCO 357495274 ZQXVTOBGCPENME-VIFPVBQESA-N 309.326 -0.409 5 10 DBBE NCCCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 519755502 UQHVDUDQLUARKG-UHFFFAOYSA-N 310.310 -0.445 5 10 DBBE CCC(=O)NCCN[N+](=O)C1([N+](=O)[O-])COC(C)(C)OC1 585139316 ZVTIMHQXOMHNQC-UHFFFAOYSA-O 305.311 -0.448 5 10 DBBE CC[C@](C)(NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC 599229381 NXQLJFWWXLLXND-JTQLQIEISA-N 320.327 -0.052 5 10 DBBE Cn1cc([N+](=O)[O-])c(NC2CCN(S(N)(=O)=O)CC2)n1 698679652 CFTYCDMBYVYQBI-UHFFFAOYSA-N 304.332 -0.592 5 10 DBBE CN(CCS(N)(=O)=O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 719384477 OXQTUBZPUSNWNQ-UHFFFAOYSA-N 323.352 -0.496 5 10 DBBE Cn1nnnc1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 772184249 QDMLJSCFYNOYMP-UHFFFAOYSA-N 324.272 -0.005 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 1455086039 SSCSSUUKZMXGSR-UHFFFAOYSA-N 310.262 -0.037 5 10 DBBE O=C(NCC12COCCN1CCOC2)c1ccc([N+](=O)[O-])cn1 1557742377 PKKCUZAOLGDXFF-UHFFFAOYSA-N 322.321 -0.179 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@]2(C(=O)OC)C[C@H](O)C2)n1 1636538570 NJPBZARZYYLQGZ-OGXFKERWSA-N 312.282 -0.393 5 10 DBBE CN(c1nc(=N)[nH]cc1[N+](=O)[O-])[C@H]1CS(=O)(=O)C1(C)C 2153841210 CQPQOBWGUDKTBA-ZETCQYMHSA-N 301.328 -0.191 5 10 DBBE C[C@@H]1CCCN1CCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2161261104 MDKAJNJLIFYXQU-MRVPVSSYSA-N 303.344 -0.077 5 10 DBBE C[C@H](O)[C@H](CO)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 2174121926 WIXUHRQKAQJLMW-RCOVLWMOSA-N 305.312 -0.803 5 10 DBBE NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 2181127387 SVUCBXLEGMKWKJ-VHSXEESVSA-N 301.324 -0.323 5 10 DBBE CNS(=O)(=O)C1CN(c2cc([N+](=O)[O-])cc(NN)n2)C1 2187314493 NJTASECMXHWGHI-UHFFFAOYSA-N 302.316 -0.987 5 10 DBBE CNc1nc[nH]c(=NCC[S@](=O)CCOC)c1[N+](=O)[O-] 2207029123 IFJLFXBVAULLAC-FQEVSTJZSA-N 303.344 -0.345 5 10 DBBE CS(=O)(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)O 2360577591 VUDKPMXIVYTYGH-SSDOTTSWSA-N 305.268 -0.850 5 10 DBBE NS(=O)(=O)CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 40385685 XJEXNOYKDILFGW-UHFFFAOYSA-N 323.352 -0.448 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)ccc1Cl 236531840 JRNOVICWMDZTFX-NXEZZACHSA-N 322.726 -0.026 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCn1cncn1 594748521 LWZFNGDNNGGBKR-UHFFFAOYSA-N 312.311 -0.050 5 10 DBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC(=O)N1 598308265 MXGAZZHOIDUTDK-JTQLQIEISA-N 320.305 -0.281 5 10 DBBE CO[C@@](C)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 702536886 JRHTZSKPYSYEQI-SNVBAGLBSA-N 305.312 -0.335 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)OCCN2CCOCC2=O)n1 755842374 MZIRDJGLUMYJPF-UHFFFAOYSA-N 312.282 -0.173 5 10 DBBE CNS(=O)(=O)CCCOC(=O)c1c([N+](=O)[O-])cnn1C 777129637 PFBZZPOCAGOYRO-UHFFFAOYSA-N 306.300 -0.576 5 10 DBBE O=C(CN1CCN(C2CC2)C1=O)OCCn1cnc([N+](=O)[O-])n1 850874419 AKDZMNGFXPBGJH-UHFFFAOYSA-N 324.297 -0.371 5 10 DBBE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC1CC1 1273507583 FVXKRDJLROIYEM-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE O=C(NCC(=O)N1CCOCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 1295757909 GPHHRBXWSXOYIE-CYBMUJFWSA-N 323.305 -0.397 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cn1)N1CC2(C[C@H](O)CNC2=O)C1 1303533397 MWZZAYYUAJMFCN-VIFPVBQESA-N 306.278 -0.687 5 10 DBBE CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(=O)NCCO 1445654388 KSTAZWNYMGECAB-UHFFFAOYSA-N 311.294 -0.168 5 10 DBBE COC(=O)[C@](C)(CO)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1629648964 DRNWVRMEAACNKQ-MFKMUULPSA-N 312.278 -0.332 5 10 DBBE C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)N1CCO 1635678899 ONLIYJJEPCBXBY-AOOOYVTPSA-N 312.330 -0.900 5 10 DBBE CCc1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 1688325946 WSMQSQHUXQAIPK-GHMZBOCLSA-N 323.353 -0.164 5 10 DBBE O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc2n(n1)CCO2 1758172151 TTXUISLMPVYPDK-PSASIEDQSA-N 323.309 -0.823 5 10 DBBE CS(=O)(=O)C[C@H]1CCN(c2nc(=N)[nH]cc2[N+](=O)[O-])C1 2143677255 QDJAWDNFHQAEJO-ZETCQYMHSA-N 301.328 -0.332 5 10 DBBE COc1nc(C2(C(=O)O)CS(=O)(=O)C2)ncc1[N+](=O)[O-] 2157673705 DXWFKGFRHQXCDD-UHFFFAOYSA-N 303.252 -0.856 5 10 DBBE CN1[C@H](CNCc2nn(C)cc2[N+](=O)[O-])CCS1(=O)=O 2159124867 VGDGGAKTPRANPZ-QMMMGPOBSA-N 303.344 -0.548 5 10 DBBE COc1ccc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@H]2N)n1 2177954068 TXYUUDFYSYAQNJ-SVRRBLITSA-N 303.296 -0.499 5 10 DBBE NCCC(CCN)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2205691902 VORWCPIJMOHVGG-UHFFFAOYSA-N 303.344 -0.666 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2CNC[C@@H](F)C2)c1 2234650483 JLHDDHIZYRYCEX-JGVFFNPUSA-N 304.303 -0.032 5 10 DBBE CS(=O)(=O)NCCN=c1[nH]c(C2CC2)ncc1[N+](=O)[O-] 2286624441 VSINLPHUXBTTPO-UHFFFAOYSA-N 301.328 -0.355 5 10 DBBE C[P@@]1(=O)C[C@@H](O)[C@H](N=c2cc([N+](=O)[O-])cc(NN)[nH]2)C1 2355681581 PZXLNUYHMXCFEB-UWCLWIGYSA-N 301.243 -0.155 5 10 DBBE NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC[C@H]1CNC(=O)O1 215825427 PUOQEVBLIMROEE-SSDOTTSWSA-N 317.279 -0.271 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCC2(N3CCOCC3)CC2)n1 433743278 AMLVMWYACUGOSF-UHFFFAOYSA-N 309.326 -0.077 5 10 DBBE COC(=O)CCNC(=O)CCNc1ncc([N+](=O)[O-])s1 599168915 BWULHECUDGASSK-UHFFFAOYSA-N 302.312 0.533 5 10 DBBE CCN(OC)C(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859203265 OXEYSFNOCXWUDJ-UHFFFAOYSA-N 321.315 -0.984 5 10 DBBE CN1C[C@@]2(C)CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@]2(C)C1 913288033 ANENEJZQXZIVFQ-STQMWFEESA-N 308.342 -0.014 5 10 DBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc([N+](=O)[O-])cn1 1616590320 YAYZEUXCRAEVLZ-JTQLQIEISA-N 322.277 -0.554 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC(=O)NC 1745453444 RLGAYXUVMUJPBM-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE CC(C)NC(=O)[C@H](C)n1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156825263 REAHBFCGCUERRG-LURJTMIESA-N 305.316 -0.476 5 10 DBBE CN=c1[nH]c(N[C@@H]2C[P@@](C)(=O)C[C@@H]2O)ncc1[N+](=O)[O-] 2177839161 NEDCFZVXZOJXAE-NVCUEICFSA-N 301.243 -0.004 5 10 DBBE C[C@H](O)[C@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 80737652 SROQXIYDEOVCKE-IMTBSYHQSA-N 307.303 -0.280 5 10 DBBE O=C(O)[C@@H]1COC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 90364635 BXDZTGRULZEYEK-NXEZZACHSA-N 316.291 -0.027 5 10 DBBE NNc1cccc(S(=O)(=O)Nc2nnns2)c1[N+](=O)[O-] 127646706 UAMAERXFQAAZBC-UHFFFAOYSA-N 317.312 -0.072 5 10 DBBE COCCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)O 158558319 NMCJMJSLWJNZBP-SECBINFHSA-N 300.271 -0.213 5 10 DBBE CCCn1ncnc1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 160865631 NPVAEVPAUVAGNB-UHFFFAOYSA-N 315.315 -0.512 5 10 DBBE CCN1CCN(CC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 427603058 IWNPFIKHPMAREL-UHFFFAOYSA-N 310.358 -0.455 5 10 DBBE C[C@@](O)(CO)CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 592431087 ZJEXLCPYACQFIB-YPMHNXCESA-N 300.311 -0.333 5 10 DBBE Cn1ccc(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1 1138063064 JUTNMZVYCZLETG-UHFFFAOYSA-N 305.294 -0.151 5 10 DBBE CNC(=O)CCCN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1151194680 HJDYVNXVGDBTRG-UHFFFAOYSA-N 310.310 -0.259 5 10 DBBE Cc1noc(CN2CCS(=O)(=O)C[C@@H]2CCO)c1[N+](=O)[O-] 1176332746 BFLNEPGPSPHALS-VIFPVBQESA-N 319.339 -0.127 5 10 DBBE O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(=O)N1CC[C@H]1CO 1289246851 OCRSVNBPSOGGIN-VIFPVBQESA-N 319.273 -0.216 5 10 DBBE COC(=O)[C@@]1(OC)CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 1329543404 FIAOUNTUGPQXGJ-GFCCVEGCSA-N 312.282 -0.268 5 10 DBBE CC(C)c1[nH]nc(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c1[N+](=O)[O-] 1468246791 HEPMAPCEVXITCC-KNVOCYPGSA-N 321.293 -0.214 5 10 DBBE CN(CCNCCCN1CCCC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1493545881 QZHJWQBBNKMTNA-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE CCn1cc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 1499222016 WXGTWVYTVNFTRO-GHMZBOCLSA-N 308.342 -0.298 5 10 DBBE Cn1ncc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1=O 1538299919 IOKSYAFQPFLRMS-UHFFFAOYSA-N 305.250 -0.511 5 10 DBBE NC(=O)[C@H](O)CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 1556460598 XWEXIZRZFJRCIT-SECBINFHSA-N 301.686 -0.247 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(N[C@@H]2CCOC2)C1 1652690392 FFTJQABTSITAPA-SNVBAGLBSA-N 322.321 -0.654 5 10 DBBE Cn1ccc(CC(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1689326142 LSGYPXSNROZGCB-JDEDCZITSA-N 321.337 -0.584 5 10 DBBE N[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2149988273 NCKYEQGXSMPTGF-SFYZADRCSA-N 305.287 -0.262 5 10 DBBE CCn1c(-c2nn(C)cc2[N+](=O)[O-])nnc1S(N)(=O)=O 2186531534 HJTUUUKJKSWQQO-UHFFFAOYSA-N 301.288 -0.746 5 10 DBBE CC(=O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@H](O)[C@@H]2CO)s1 2201039042 YQSUJDXDVBLWHO-OYNCUSHFSA-N 302.308 -0.238 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CS(=O)(=O)[C@H]2C1 2361705163 YVFBUHTVOVUZHO-ZJUUUORDSA-N 300.340 -0.171 5 10 DBBE CNC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC 50654603 ULOKDJCJRHYLEE-UHFFFAOYSA-N 302.312 -0.339 5 10 DBBE CC(C)NC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50658581 PVFRGWXOYFJGCO-UHFFFAOYSA-N 316.339 -0.020 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](N)[C@@H](C)O 80749080 MSGDUDHDWOLCRC-APPZFPTMSA-N 319.339 -0.410 5 10 DBBE O=C1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC(=O)N1 126538547 JOEWZUYDJSNOSA-UHFFFAOYSA-N 317.254 -0.619 5 10 DBBE NNc1ncc([N+](=O)[O-])c(N[C@H]2CCCS(=O)(=O)C2)n1 236288037 SBLNGDYRSTZQEN-LURJTMIESA-N 302.316 -0.341 5 10 DBBE O=C(NC(C(=O)O)C(=O)O)c1cc(Cl)ncc1[N+](=O)[O-] 312791734 QKWXKGJSHBZEFK-UHFFFAOYSA-N 303.614 -0.089 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CO)CN1CCOCC1 351506231 SFYHQCJFLYFOTD-NSHDSACASA-N 324.337 -0.279 5 10 DBBE Nc1ccc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1[N+](=O)[O-] 373745609 MFIJDWFITDEFHB-ZYHUDNBSSA-N 320.305 -0.094 5 10 DBBE CCN1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1=O 594780237 ORZARPZTAXIOLE-UHFFFAOYSA-N 300.296 -0.200 5 10 DBBE Cn1cc(C[C@H](O)C(=O)OCCn2ccc([N+](=O)[O-])n2)cn1 786871183 PVODHUWSUYPUQZ-JTQLQIEISA-N 309.282 -0.328 5 10 DBBE C[C@H]1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C(=O)O1 849393585 AHRHURLDUNWFOS-BQBZGAKWSA-N 301.280 -0.028 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](O)CC2)n1 1118816657 SJAGGRLNZWEETF-QMMMGPOBSA-N 304.328 -0.136 5 10 DBBE CS(=O)(=O)C[C@@H](O)CN=c1c(Cl)c[nH]cc1[N+](=O)[O-] 1187782652 HJHWMMJWGZKQGX-LURJTMIESA-N 309.731 -0.118 5 10 DBBE CS(=O)(=O)C[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 1273798071 MYNBTSDDRFJPSB-SECBINFHSA-N 316.339 -0.316 5 10 DBBE O=C(COCC1CC1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1284077924 FJXAOHIIEFINCX-WRWGMCAJSA-N 311.338 -0.158 5 10 DBBE Cc1nc2n(n1)C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])CC2 1319897329 ZIQQPKFYGKJHED-QMMMGPOBSA-N 305.298 -0.027 5 10 DBBE O=C1NCCCN1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 1330136692 QELBMYCIGJJZRY-UHFFFAOYSA-N 301.284 -0.402 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NCC[C@@H]1CCCS1(=O)=O 1438913892 GOMJOZVYNQTWOW-JTQLQIEISA-N 316.339 -0.125 5 10 DBBE Cn1ncnc1C1(O)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1471609834 YKGBHHVJQWCGEN-UHFFFAOYSA-N 319.277 -0.228 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cccc(O)n1 1506048951 HXVLWEKWCHXFBE-PSASIEDQSA-N 320.305 -0.169 5 10 DBBE Cn1cnnc1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1628600907 QVERTKNUBKSIRX-UHFFFAOYSA-N 306.282 -0.756 5 10 DBBE C[C@H]1C(=O)N(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(=O)N1C 1633409299 HITUNBHPKSTHTL-ZETCQYMHSA-N 323.265 -0.930 5 10 DBBE CN(CCS(N)(=O)=O)CC(=O)Nc1ccccc1[N+](=O)[O-] 1644378047 QCNKHZYDNBXMLQ-UHFFFAOYSA-N 316.339 -0.246 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cncnc1 1689579176 OXBLSCFQLFLBOP-NXEZZACHSA-N 305.294 -0.480 5 10 DBBE O=[N+]([O-])c1ccc(CN2CCN[C@H]3CS(=O)(=O)C[C@H]32)o1 2143711903 GBCMBEILICJVNG-VHSXEESVSA-N 301.324 -0.241 5 10 DBBE CCn1cnnc1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2153676725 JUOQHKVJONZFLL-UHFFFAOYSA-N 301.288 -0.902 5 10 DBBE NC[C@@H]1COC[C@@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2154120867 WDXAMZSWSFEEKR-XCBNKYQSSA-N 302.312 -0.758 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H](O)C[C@@H](O)C1 2161391770 UAZMENQEPQDQDK-RKDXNWHRSA-N 302.308 -0.289 5 10 DBBE NC(=O)[C@H]1C[C@H](N)CN(c2nc(Cl)ncc2[N+](=O)[O-])C1 2162788564 ZBRVMUZRLATLSZ-WDSKDSINSA-N 300.706 -0.323 5 10 DBBE CS(=O)(=O)CC1CC(N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])C1 2171328178 RWTRVPIVUSPOHQ-UHFFFAOYSA-N 301.328 -0.546 5 10 DBBE Cc1nc(Cl)nc(O[C@H]2CS(=O)(=O)C[C@H]2N)c1[N+](=O)[O-] 2184645909 HRIIJWLLSDTSAE-RITPCOANSA-N 322.730 -0.150 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 2192663268 WGMKPTLRPUAIGC-APPZFPTMSA-N 301.328 -0.631 5 10 DBBE CO[C@@H](CCS(C)(=O)=O)CN=c1[nH]cncc1[N+](=O)[O-] 2364060466 GNQPGXOYERZYOO-QMMMGPOBSA-N 304.328 -0.332 5 10 DBBE O=[N+]([O-])c1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 40676094 UQHJKICZADRWIF-RYUDHWBXSA-N 300.336 -0.115 5 10 DBBE Cc1cc([N+](=O)[O-])cn(CC(=O)NCC(=O)N2CCCC2)c1=O 127308350 IOXFEZVJRASYHN-UHFFFAOYSA-N 322.321 -0.196 5 10 DBBE C[C@H](O)CNCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 132230467 LHTPNBHHHACHRA-JTQLQIEISA-N 317.367 -0.015 5 10 DBBE O=C(NC[C@@H]1CNC[C@H]1O)c1cc2c(cc1[N+](=O)[O-])OCCO2 262278982 NSKHVSFOIXGQFC-GZMMTYOYSA-N 323.305 -0.324 5 10 DBBE NC(=O)CN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1=O 458045671 KRQQKCMMPVDRRH-UHFFFAOYSA-N 320.305 -0.707 5 10 DBBE CN(CC(C)(CO)CO)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593569938 SELHDYLTADBTRM-UHFFFAOYSA-N 319.339 -0.399 5 10 DBBE COC[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)OC 593575769 KXGDNQQRTOMOIC-SECBINFHSA-N 305.312 -0.071 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)s1 599377796 BLTMJBYCJNTSGP-YUMQZZPRSA-N 322.364 -0.122 5 10 DBBE CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC(N)=O 1280379937 GJAFLSWUXAAMFU-RKDXNWHRSA-N 314.342 -0.872 5 10 DBBE O=C(NCCS(=O)(=O)C1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1298152509 YITFUSRPFXTAMD-NXEZZACHSA-N 306.340 -0.638 5 10 DBBE Cn1cc(CN[C@@](C)(Cn2cccn2)C(N)=O)c([N+](=O)[O-])n1 1308147295 BJJQIBKFJSTYGK-LBPRGKRZSA-N 307.314 -0.441 5 10 DBBE COCC1(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)CC1 1579173646 SMPNUMLEGREXRN-ZIQFBCGOSA-N 323.349 -0.349 5 10 DBBE O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC(=O)N1CC[C@@H]1CO 1585223682 HHEBIGIWSJSCDW-MRVPVSSYSA-N 319.273 -0.216 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C(N)=O)C2)n1 1634979259 FQWTWYOKNQMWGD-QMMMGPOBSA-N 310.314 -0.058 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@H](O)C(F)(F)C1 1645080776 FFUDKHSDBQVRHH-JTQLQIEISA-N 317.248 -0.015 5 10 DBBE CC1(C)CC(=O)NCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1655335876 PHGQZHMJJORYCI-LLVKDONJSA-N 311.342 -0.247 5 10 DBBE N[C@@H]1COCCN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2152197320 SDEHGUAUDIFDAB-QMMMGPOBSA-N 302.312 -0.662 5 10 DBBE C[S@](=O)(=NC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCNCC1 2153860615 DXONOKFBUIYZMW-FQEVSTJZSA-N 301.328 -0.019 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H]2CCS(=O)(=O)C2)c1 38083852 IJQUBZUTIQCYJI-GXSJLCMTSA-N 318.355 -0.824 5 10 DBBE CNc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)c([N+](=O)[O-])c1 50656729 WQWWRGLIKSCOED-ZCFIWIBFSA-N 302.312 -0.211 5 10 DBBE CCNS(=O)(=O)CCNc1ncnc(NN)c1[N+](=O)[O-] 231021070 LFYPGKQOVVQSQH-UHFFFAOYSA-N 305.320 -0.978 5 10 DBBE CS(=O)(=O)C1CCN(c2ncnc(N)c2[N+](=O)[O-])CC1 313220715 QYPXYRQNBQOSTR-UHFFFAOYSA-N 301.328 -0.020 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccn(CC(F)F)n1 361207461 WJYCTWJLENNHNC-UHFFFAOYSA-N 301.213 0.287 5 10 DBBE C[C@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])c(N)n1 591982438 LWOYGGTUYAOVDW-QMMMGPOBSA-N 309.330 -0.477 5 10 DBBE NC(=O)[C@]1(O)CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 593648362 JYLWRQLMZOCYLP-ZDUSSCGKSA-N 311.269 -0.275 5 10 DBBE CN(C[C@@H]1CCCS1(=O)=O)c1nc(N)ncc1[N+](=O)[O-] 693989135 DXJVMXHYFXNAOG-ZETCQYMHSA-N 301.328 -0.020 5 10 DBBE N[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 721846598 RFMNUNVMVIMCNK-MNOVXSKESA-N 301.324 -0.011 5 10 DBBE COC(=O)C[C@@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CCOC1 1320272877 YZQGLDFXQWOKCE-NSHDSACASA-N 313.270 -0.975 5 10 DBBE C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ncn(C)n1 1329785438 RCYBFGWKDXHALV-LURJTMIESA-N 315.315 -0.504 5 10 DBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc([N+](=O)[O-])o1 1439878075 DWZMBLOCJGPCJU-SSDOTTSWSA-N 311.250 -0.356 5 10 DBBE CN(CC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]1O 1445716764 YSCHHJZXUZGDPA-VXGBXAGGSA-N 311.342 -0.247 5 10 DBBE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O 1457419817 ROJJGJTZSCUBGF-WBPNIITGSA-N 310.310 -0.512 5 10 DBBE CNS(=O)(=O)C[C@H]1CCCN1c1c([N+](=O)[O-])cnn1C 1612047160 ISRYHKQOIVQVIQ-MRVPVSSYSA-N 303.344 -0.154 5 10 DBBE CNC(=O)N[C@@H]1CCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)C1 1638209091 VDMOOLUDRSYWRT-SECBINFHSA-N 310.314 -0.370 5 10 DBBE CO[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCS(=O)(=O)C1 1645834454 STDLXMHRLKDGSG-LLVKDONJSA-N 317.323 -0.144 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nncn1C 1713546770 YGOYKSNVSRSNHM-GHMZBOCLSA-N 310.358 -0.192 5 10 DBBE CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1nnn(C)n1 1713624005 AZOWRIFQSOENDU-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE CN(C(=O)CCn1ccnn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1759955396 TULIGURXQFFWCJ-GHMZBOCLSA-N 322.325 -0.997 5 10 DBBE CCN=c1cc([N+](=O)[O-])cc(N[C@@H](C)CS(N)(=O)=O)[nH]1 2152951405 CLHDVKRDHJOZFJ-ZETCQYMHSA-N 303.344 -0.068 5 10 DBBE CN=c1[nH]c(N[C@@]2(C)CCS(=O)(=O)C2)ncc1[N+](=O)[O-] 2157682164 NMUSKFBWAWFUAR-JTQLQIEISA-N 301.328 -0.163 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1N1CC2(C1)OC[C@H](O)[C@H]2O 2183637348 LEGWPGSLBWHUAO-IONNQARKSA-N 301.686 -0.046 5 10 DBBE Cc1c([N+](=O)[O-])c(=NC[C@H]2[C@@H]3CS(=O)(=O)C[C@H]23)[nH]n1C 2207485312 IYLKBZVJJYGAQQ-PSVAKVPMSA-N 300.340 -0.239 5 10 DBBE CN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 43592363 HBOZOAYUOSJVKZ-NXEZZACHSA-N 319.314 -0.313 5 10 DBBE C[C@@H]1CC[C@@H](C(N)=O)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 75714644 BJKMKCXSQHTEAF-FOGDFJRCSA-N 311.342 -0.262 5 10 DBBE Cn1[nH]c(=O)c(=O)nc1Sc1nc(Cl)ncc1[N+](=O)[O-] 236059756 YNURCIRPRVZPFF-UHFFFAOYSA-N 316.686 -0.029 5 10 DBBE NC(=O)[C@]1(O)CCN(c2ncnc3ccc([N+](=O)[O-])cc23)C1 319165108 GMHLWZIHTSMSBQ-ZDUSSCGKSA-N 303.278 -0.036 5 10 DBBE NC(=O)CN1CCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1=O 413424204 PARWPUQXEWFHOK-UHFFFAOYSA-N 318.293 -0.395 5 10 DBBE NC(=O)[C@]1(O)CCN(c2ncnc3cccc([N+](=O)[O-])c23)C1 428230061 OQADUVTYKBNXMK-ZDUSSCGKSA-N 303.278 -0.036 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cn(C)c(=O)n(C)c1=O 557521132 MDJHTIFXRRMQTC-UHFFFAOYSA-N 322.281 -0.864 5 10 DBBE O=C1NCCCC[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594749741 XLRNFWUFDLGHFJ-MRVPVSSYSA-N 314.323 -0.063 5 10 DBBE COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCNC1=O 595065628 IRXSAIZVICEAJC-QMMMGPOBSA-N 322.277 -0.453 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(OCCO)CCOC1 1146733362 RPHNVZVRUAIYRL-LBPRGKRZSA-N 314.298 -0.774 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(F)(F)C[C@H]1CO 1255381932 FKYYPNATNKHQPD-QMMMGPOBSA-N 317.248 -0.015 5 10 DBBE CC(C)NC(=O)CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1266592596 VGFFEBXUDGSYLE-VXGBXAGGSA-N 312.370 -0.243 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCO[C@@]2(CCOC2)C1 1266719642 JEKPWEVTMVSGTK-SKDRFNHKSA-N 311.298 -0.359 5 10 DBBE CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 1298379016 XDCITBQPABZPIB-SSDOTTSWSA-N 317.327 -0.576 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 1329658907 ILYMAGAFUZTURV-FZIOLRSQSA-N 317.348 -0.116 5 10 DBBE CN1CC(N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)C1 1348304337 FRWGURKGIDAKJQ-UHFFFAOYSA-N 322.369 -0.360 5 10 DBBE NS(=O)(=O)NC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 1351486572 FEWUTZHKVONVRN-UHFFFAOYSA-N 318.359 -0.951 5 10 DBBE CC[C@]1(C)NC(=O)N(CC(=O)Nc2c([N+](=O)[O-])cnn2C)C1=O 1523558308 JKOKXDQNIHISAU-LBPRGKRZSA-N 324.297 -0.013 5 10 DBBE COCCC(=O)N[C@H]1[C@@H]2CN(Cc3c([N+](=O)[O-])ncn3C)C[C@@H]21 1690506939 QJEWZKONZGBMRZ-IWIIMEHWSA-N 323.353 -0.089 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN1CC(O)(CNC(=O)C2(C)CC2)C1 1724453955 GSYGEXVDPDLZPO-UHFFFAOYSA-N 323.353 -0.209 5 10 DBBE CCN=c1nc(N=S2(=O)CCNCC2)c([N+](=O)[O-])c[nH]1 2173936007 PKXOAPJYEQKPGB-UHFFFAOYSA-N 300.344 -0.059 5 10 DBBE O=CN[C@@H](C[S@](=O)Cc1ccc([N+](=O)[O-])cn1)C(=O)O 2195297919 JKIHYRNJJXZFDH-GWNMQOMSSA-N 301.280 -0.562 5 10 DBBE O=[N+]([O-])c1cnc(N2CC[C@](O)(CO)[C@H](O)C2)c(Cl)c1 2234102903 APLVEADOIQLXJX-KOLCDFICSA-N 303.702 -0.062 5 10 DBBE CNS(=O)(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])cn1 2295623208 VUVBLFUWAMQNFE-UHFFFAOYSA-N 302.312 -0.389 5 10 DBBE Cc1nn(C[C@H](O)CNCCS(C)(=O)=O)c(C)c1[N+](=O)[O-] 69369581 LWGCCQUGPYTKNC-SNVBAGLBSA-N 320.371 -0.597 5 10 DBBE CN1CCN(S(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])CC1=O 84207781 AKPLIMNDZIPCBC-UHFFFAOYSA-N 314.323 -0.360 5 10 DBBE O=C1N[C@@]2(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@H]3C[C@H]1[C@H]2C3 593100939 MEJLUBBTBKGVOD-CBRVECNMSA-N 319.321 -0.178 5 10 DBBE CCO[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1CN 593916458 KLVZMVIQGRYLQW-GHMZBOCLSA-N 311.342 -0.078 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](Cn2ccnn2)C1 597899643 CEILPCOUCLCAPJ-SNVBAGLBSA-N 305.298 -0.069 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(CO)CCC2)n1 599274844 DZSJNXRLOAZRTP-UHFFFAOYSA-N 304.328 -0.231 5 10 DBBE CN(C)CC(C)(C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599324401 QDIKVUKSYNZJJO-UHFFFAOYSA-N 305.360 -0.053 5 10 DBBE C[C@H](c1nc(-c2c([N+](=O)[O-])ncn2C)no1)N1CCNCC1=O 863670134 JYMAGZQSMNVWCI-SSDOTTSWSA-N 321.297 -0.129 5 10 DBBE CCNS(=O)(=O)[C@H]1CCN(c2nn(C)cc2[N+](=O)[O-])C1 1185970172 VEMPTCHBRZRCPR-QMMMGPOBSA-N 303.344 -0.154 5 10 DBBE CC(C)N(C)CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1285368414 WBLMXKQGIZKGHD-VXGBXAGGSA-N 314.386 -0.091 5 10 DBBE C[C@@H](CCS(C)(=O)=O)NC(=O)Cn1cnc([N+](=O)[O-])n1 1533684061 YWKOYRIEIYHPHV-ZETCQYMHSA-N 305.316 -0.874 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCNS(C)(=O)=O)n1 1633140042 VSDOMEVZAYCNHJ-UHFFFAOYSA-N 305.316 -0.910 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCN1CCCO 1637314664 UYVAIYKTBVWXTA-LLVKDONJSA-N 311.342 -0.246 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)Cn2ccnn2)c1 1637559953 NJNVWESXPZWAJP-VIFPVBQESA-N 321.293 -0.014 5 10 DBBE CNS(=O)(=O)NCC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 1653769682 RKDXBAPZZZKCOW-UHFFFAOYSA-N 302.312 -0.104 5 10 DBBE O=C(NC1(CCO)CN(C/C=C/Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1675076417 MNOHUUYMQDQCAD-XTYQLPPYSA-N 303.746 -0.043 5 10 DBBE CN(C)C1(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1738506104 YQCNUYGMQRAYSI-BLDJZWNYSA-N 324.381 -0.076 5 10 DBBE Cc1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 1745107056 RECCWGAFTSRYFI-NXEZZACHSA-N 309.326 -0.418 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC[C@@H](O)CO 1963616928 HSOOFRUUQBLGDO-SSDOTTSWSA-N 308.287 -0.245 5 10 DBBE C[C@H](CS(N)(=O)=O)Nc1cc(C(N)=O)ccc1[N+](=O)[O-] 2152955483 VYCNHBAJZDONPW-ZCFIWIBFSA-N 302.312 -0.217 5 10 DBBE Cn1nc([N+](=O)[O-])nc1N=[S@@](C)(=O)N1CCCNCC1 2163663191 NTBXLXPSDQSSDS-HXUWFJFHSA-N 303.348 -0.337 5 10 DBBE CN(CCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1)C1CCC1 2193701341 ZXOJQPVGNODBEH-UHFFFAOYSA-N 303.344 -0.077 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1Nc1cc([N+](=O)[O-])cc(=N)[nH]1 2207464056 DZYFNOPWGASEDP-SFYZADRCSA-N 302.312 -0.374 5 10 DBBE COc1nc(=NCCS(=O)(=O)C(F)F)[nH]cc1[N+](=O)[O-] 2232507202 WSQBHOIJICDHSY-UHFFFAOYSA-N 312.254 -0.135 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(=N[C@@H]2CS(=O)(=O)C[C@H]2O)[nH]1 2239225578 RZBRWKNWSFGTMT-VXNVDRBHSA-N 304.328 -0.636 5 10 DBBE COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 35219857 LFCRQTBBVZFPEJ-SSDOTTSWSA-N 322.270 -0.454 5 10 DBBE NNc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1[N+](=O)[O-] 126668163 YNIABVTTXXXFKY-UHFFFAOYSA-N 315.311 -0.999 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCCn2ccnn2)ccc1O 127661413 CNVLLPZXESFQQZ-UHFFFAOYSA-N 313.295 -0.130 5 10 DBBE O=C(O)C1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])COC1 364415067 ILQGGUKXRXJYKL-UHFFFAOYSA-N 302.264 -0.273 5 10 DBBE N[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[C@H]1F 595267848 CKNZHLIJFGRURO-NXEZZACHSA-N 300.294 -0.128 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCNCC2(C)C)n1 599098425 UDUKOWNTPHPHQT-UHFFFAOYSA-N 303.344 -0.299 5 10 DBBE COC(=O)C(C)(C)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599233523 COERWXHEYDQLNT-UHFFFAOYSA-N 320.327 -0.100 5 10 DBBE O=C(c1cncnc1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 940832138 XKCUHQSHWUEKHF-VXGBXAGGSA-N 319.321 -0.184 5 10 DBBE COC(=O)CNC(=O)Cn1nc([N+](=O)[O-])nc1Br 1189960231 IBQCYAWBPPNDET-UHFFFAOYSA-N 322.075 -0.762 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC(=O)NC1=O 1319534395 KSUPXRCBGFLCMI-MRVPVSSYSA-N 309.282 -0.589 5 10 DBBE COCC[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC 1324677511 RAJWKIKEDWJAEU-SSDOTTSWSA-N 300.271 -0.364 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](O)[C@H](CO)C2)s1 1559209091 LCMSUYVMWMPCAA-POYBYMJQSA-N 322.364 -0.151 5 10 DBBE Cc1cc([N+](=O)[O-])cnc1N1CCN2[C@@H](CNS2(=O)=O)C1 1559287190 HRCLHUAPNFTDSF-JTQLQIEISA-N 313.339 -0.363 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCCCN1C(=O)CNC1=O 1628768007 ZLRCVCXRWCKFEA-UHFFFAOYSA-N 310.270 -1.000 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[C@@H](O)[C@@H](O)C1 1647902329 OLVIPQOWSGDLRR-AXTRIDKLSA-N 311.294 -0.853 5 10 DBBE NS(=O)(=O)c1ccccc1N1CCN(CC[N+](=O)[O-])CC1 1659613298 ULYXFVDSSVDYPQ-UHFFFAOYSA-N 314.367 -0.267 5 10 DBBE CCN(CCNC(=O)Cc1cc[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688391635 KQTJUKSNDWWDTD-GHMZBOCLSA-N 309.326 -0.418 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)c1 1964002659 DWRNMYPYSMSLCO-DTORHVGOSA-N 303.296 -0.894 5 10 DBBE C[C@@H]1C[C@@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])CCS1(=O)=O 2143969073 DGMDEYXXHGLOEX-RQJHMYQMSA-N 301.328 -0.403 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 158655390 QRUAEVLHGHJDIV-SFHVURJKSA-N 308.337 -0.043 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC[C@@H]2CO)cn1 168675797 OOMPBBDRFLXQJN-QMMMGPOBSA-N 303.296 -0.628 5 10 DBBE NNc1sc(S(=O)(=O)N[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] 229178219 JHYHZGULGZBEQS-BYPYZUCNSA-N 321.340 -0.891 5 10 DBBE CNc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C(N)=O 313714338 UXPKIKNKKCYTGU-LURJTMIESA-N 302.312 -0.211 5 10 DBBE CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 358827991 RTUGUQHSBHOVHX-VHSXEESVSA-N 324.341 -0.051 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCNC[C@@H]2O)cc1 710418010 KUYGSKJSISOQJM-MNOVXSKESA-N 301.324 -0.404 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCC2(O)CCN(C)CC2)n1 1147976929 DANUEIZZHTZXCY-UHFFFAOYSA-N 311.342 -0.002 5 10 DBBE NC(=O)c1cc(N2CC[C@H]3OCC(=O)N[C@@H]3C2)ccc1[N+](=O)[O-] 1186647107 BRRZBVUVJWAHEN-ZYHUDNBSSA-N 320.305 -0.213 5 10 DBBE CCn1ncc(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1283539480 SIZXMQJVDIHDEW-MWLCHTKSSA-N 324.341 -0.459 5 10 DBBE O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@@H](CO)[C@@H](O)C1 1299170008 LBRQNIQXQNBSSY-CPCISQLKSA-N 306.278 -0.104 5 10 DBBE O=C1NCCO[C@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@@H]12 1455088609 AKFPYNAODZWCSZ-WCBMZHEXSA-N 309.282 -0.563 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])s1 1636476480 CUBMZKKFWKVPFY-ZCFIWIBFSA-N 308.337 -0.208 5 10 DBBE C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[S@@]1=O 1638516003 MUAJJQKDHPIGJU-FHZGZLOMSA-N 301.328 -0.444 5 10 DBBE N=c1cc([N+](=O)[O-])cc(N2CCC[C@@H]2CS(N)(=O)=O)[nH]1 2146416299 IGFXAEPVONOEOT-SSDOTTSWSA-N 301.328 -0.340 5 10 DBBE CO[C@H](CCS(C)(=O)=O)CN=c1[nH]n(C)cc1[N+](=O)[O-] 2364225678 AOHWPKQTKODLQA-MRVPVSSYSA-N 306.344 -0.388 5 10 DBBE CN1CCN(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 8375930 VZSCBESJZWONNL-UHFFFAOYSA-N 315.355 -0.184 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50654713 QMWCXGMNGKCBJT-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE C[C@H](O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)O 131131893 MFOXJSISHFNLSY-CDUCUWFYSA-N 322.270 -0.154 5 10 DBBE COC(=O)C1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC1 599262786 MNZCFFJVLOUIBB-UHFFFAOYSA-N 318.311 -0.298 5 10 DBBE O=C(O)C1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CNC1 725372959 DZZSUMOPHQAPOO-UHFFFAOYSA-N 301.280 -0.700 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCn1cnccc1=O 1162895813 WQJGTKASJIBJCB-UHFFFAOYSA-N 306.282 -0.527 5 10 DBBE CN(CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1 1501852733 UVHNGRCRKHTEGJ-XCUNLHGCSA-N 324.381 -0.076 5 10 DBBE O=CN1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1543413633 AEVZZDAYCIHMDH-UHFFFAOYSA-N 308.294 -0.553 5 10 DBBE CCNC(=O)CN1CCCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1571035627 JNEFMLLDCGRYRJ-VXGBXAGGSA-N 324.381 -0.288 5 10 DBBE Cc1[nH]nc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)c1[N+](=O)[O-] 1588101890 RCZDIJJQTYXFON-KCJUWKMLSA-N 323.309 -0.254 5 10 DBBE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cn1c([N+](=O)[O-])cnc1C 1597850598 GILICDNEHYJJIP-BDAKNGLRSA-N 312.282 -0.765 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCO[C@H]1CCOC1 1635591525 YIPSGHSBGSFZOO-JTQLQIEISA-N 311.294 -0.322 5 10 DBBE O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1csc([N+](=O)[O-])c1 1640824933 KLDMVCQXTPDDEL-SNVBAGLBSA-N 320.348 -0.064 5 10 DBBE CNS(=O)(=O)CCn1nnc(-c2ccccc2[N+](=O)[O-])n1 1656928022 VXQFOMMVUIXQQP-UHFFFAOYSA-N 312.311 -0.203 5 10 DBBE CN(Cc1cccnc1[N+](=O)[O-])Cc1nnc2n1CCNC2=O 1660122356 LNQCQUDBQCGZGW-UHFFFAOYSA-N 317.309 -0.043 5 10 DBBE O=C(CN1CCCC1=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689220184 CYAKWIJOQHINQZ-JLVKAVFRSA-N 324.337 -0.937 5 10 DBBE Nc1ccc(S(=O)(=O)N2C[C@H](F)[C@H](O)C2)c([N+](=O)[O-])c1 2149265567 BCXHJWGLFQGJMH-IONNQARKSA-N 305.287 -0.120 5 10 DBBE CS(=O)(=O)c1cccc(N2CC(O)(CN)C2)c1[N+](=O)[O-] 2154728570 CAHKSXRVNJSXKY-UHFFFAOYSA-N 301.324 -0.492 5 10 DBBE Nc1c(CN2CCS(=O)(=O)CCN2)cccc1[N+](=O)[O-] 2165092334 BAAMTVSEUGYIHP-UHFFFAOYSA-N 300.340 -0.088 5 10 DBBE NNc1cc(N[C@H]2CS(=O)(=O)C[C@H]2O)ccc1[N+](=O)[O-] 2234460423 BMLABGMXOAMSFK-WCBMZHEXSA-N 302.312 -0.550 5 10 DBBE Cc1cnc(S(=O)(=O)CCS(N)(=O)=O)c([N+](=O)[O-])c1 90692814 HOTAHHSQPSCWRS-UHFFFAOYSA-N 309.325 -0.640 5 10 DBBE CC(C)(C(=O)N1CCOC2(CNC2)C1)n1cc([N+](=O)[O-])cn1 596581506 ZBNDPCIUKJRWPE-UHFFFAOYSA-N 309.326 -0.273 5 10 DBBE C[C@H]1CCNC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599107176 KXJYPMXTDTZHOZ-JGVFFNPUSA-N 303.344 -0.395 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](O)C(C)(C)C2)n1 599292800 HSCTYUOYZUHIKZ-MRVPVSSYSA-N 304.328 -0.280 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)[C@H](O)CO 698922013 ZNYUTZPWCZXWQG-PSASIEDQSA-N 304.324 -0.077 5 10 DBBE NC(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 1332594799 SRSNUXBQRQREBM-UHFFFAOYSA-N 314.323 -0.124 5 10 DBBE Cc1c[nH]nc1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1501143862 CFOMVINFVAICAK-NXEZZACHSA-N 309.326 -0.086 5 10 DBBE Cn1cc(O)c(=O)cc1CNC(=O)c1c([N+](=O)[O-])cnn1C 1557253934 OAGRVXQIAUWMHG-UHFFFAOYSA-N 307.266 -0.337 5 10 DBBE Nc1ncc(C(=O)N2CC(N3CCOCC3)C2)cc1[N+](=O)[O-] 1639577183 PGTCJVSHGAPUIA-UHFFFAOYSA-N 307.310 -0.271 5 10 DBBE Cc1n[nH]cc1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703579315 XOHGYHKKTAJYMC-MWLCHTKSSA-N 309.326 -0.038 5 10 DBBE CN(C[C@@H]1CCS(=O)(=O)C1)c1nc(=N)[nH]cc1[N+](=O)[O-] 2148781983 IMUNPKQNICZZGT-ZETCQYMHSA-N 301.328 -0.332 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CNCCOC1 2152194972 LPYOXQGYEDDECI-SECBINFHSA-N 301.324 -0.139 5 10 DBBE CN(CC(=O)O)S(=O)(=O)Nc1c(O)cccc1[N+](=O)[O-] 2161499462 PQNQQXRJSVCLEK-UHFFFAOYSA-N 305.268 -0.027 5 10 DBBE C[C@](O)(CCO)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 2163682028 KHMOVULOXKQMFI-JTQLQIEISA-N 305.312 -0.599 5 10 DBBE CN(CCN(C)S(C)(=O)=O)c1cc(N)c([N+](=O)[O-])cn1 2165862674 BPWXVSFXVVNWFV-UHFFFAOYSA-N 303.344 -0.100 5 10 DBBE C[C@H](N=c1[nH]c(NN)ncc1[N+](=O)[O-])[C@H](C)S(C)(=O)=O 2170587519 CIHDJJLJSYJJMW-WDSKDSINSA-N 304.332 -0.674 5 10 DBBE C[C@@H]1[C@@H](O)CN1S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 2182522960 JHYRSAAUVQXEEF-SVRRBLITSA-N 302.312 -0.366 5 10 DBBE NCc1cc([N+](=O)[O-])ccc1O[C@H]1CS(=O)(=O)C[C@@H]1O 37709994 NGZITWTZBVCIFH-ONGXEEELSA-N 302.308 -0.410 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)CN1CCOCC1 154118534 NLZAERODARWLGC-CYBMUJFWSA-N 323.349 -0.053 5 10 DBBE C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)N(C)C 594762264 GVGCVONGHJXOOC-SSDOTTSWSA-N 302.312 -0.255 5 10 DBBE C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1CO 599355868 IRQJGNGPQXMNQZ-RKDXNWHRSA-N 318.355 -0.033 5 10 DBBE C[C@@H](CN(C)S(C)(=O)=O)OC(=O)c1nn(C)cc1[N+](=O)[O-] 786615853 UZJQJUBOMHNUTK-ZETCQYMHSA-N 320.327 -0.235 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1cccn1 1356051855 XXBUOKHOQBJSRC-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1csnn1 1689600551 NWQLEEDRHHTFAB-HTRCEHHLSA-N 311.323 -0.418 5 10 DBBE CCNC(=O)[C@H](CC(N)=O)NC(=O)c1cccc([N+](=O)[O-])c1 1861029808 DWZJYMCWJLNJLI-JTQLQIEISA-N 308.294 -0.295 5 10 DBBE CN(C1COC1)S(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 1915673068 DXQHIAIZCVQJBH-UHFFFAOYSA-N 302.312 -0.100 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1N=c1cc(C)[nH]cc1[N+](=O)[O-] 1917800000 ATSAOHABMSGIDZ-KOLCDFICSA-N 301.324 -0.056 5 10 DBBE N=c1[nH]c(=NCC[C@H]2CCCS2(=O)=O)[nH]cc1[N+](=O)[O-] 2157641903 ZJBHWZPYNLILKE-SSDOTTSWSA-N 301.328 -0.402 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NCC(CO)CO 2179741730 DQTCXMBZGDXCSH-UHFFFAOYSA-N 308.287 -0.387 5 10 DBBE C[C@H]1[C@H](O)CN1S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 2182522346 DVDXGPHOGLAFGA-QUBYGPBYSA-N 302.312 -0.366 5 10 DBBE N[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)O 2286059299 YEJJSCPYWLNJQD-SSDOTTSWSA-N 307.259 -0.113 5 10 DBBE Cc1nn(CC(=O)N[C@H](CCO)C(=O)O)c(C)c1[N+](=O)[O-] 40697302 JIJQBMUQLOAEKW-MRVPVSSYSA-N 300.271 -0.640 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1C 94780526 KEAZHHZCVDVVBK-UHFFFAOYSA-N 316.339 -0.100 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126967501 CITBARMQXYHFTR-ZCFIWIBFSA-N 302.312 -0.410 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(O)CNC1 312222266 FJTSPNQVEJJSFH-UHFFFAOYSA-N 301.324 -0.484 5 10 DBBE CN(C(CO)CO)S(=O)(=O)c1c(N)cccc1[N+](=O)[O-] 312607581 UDCGOOJIVWVZTJ-UHFFFAOYSA-N 305.312 -0.849 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC[C@H]1[C@@H]1CCCO1 341871708 CJNMOVMXNSTKLY-UWVGGRQHSA-N 311.298 -0.407 5 10 DBBE CCN1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1=O 593600932 IXGDFPSMTXGHJK-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE Nc1nc(N2CCC(S(N)(=O)=O)CC2)ccc1[N+](=O)[O-] 707418731 USDWZIMOQLMBNF-UHFFFAOYSA-N 301.328 -0.171 5 10 DBBE N[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 721927472 VIKQFFDHZUIBJN-ZJUUUORDSA-N 302.312 -0.616 5 10 DBBE O=C1NC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]12 725374540 PDXBXFSWQALLMA-IUCAKERBSA-N 311.319 -0.039 5 10 DBBE CS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 727833951 CJPNMRSRQYCONO-UHFFFAOYSA-N 314.366 -0.021 5 10 DBBE Cc1nc(N2CCN3CCOC[C@@]3(CO)C2)ncc1[N+](=O)[O-] 1187716516 MGEPRGQMCNUDRC-ZDUSSCGKSA-N 309.326 -0.423 5 10 DBBE NC(=O)c1ccc(CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 1194525072 ITZBMWOGBDIWMN-AOOOYVTPSA-N 318.289 -0.602 5 10 DBBE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC=C(N)N1 1455881379 URKRBTSLKCRKIV-MRVPVSSYSA-N 309.330 -0.026 5 10 DBBE CCN(CCNC(=O)C(C)(C)C(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496790099 FWZWVJAJKCSKNL-RKDXNWHRSA-N 314.342 -0.872 5 10 DBBE COc1cncc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1580760277 RDPSJFITELCYKT-PSASIEDQSA-N 323.309 -0.661 5 10 DBBE O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)c1cc([N+](=O)[O-])c[nH]1 1636389311 BYCIVVLHGIEHML-IMSYWVGJSA-N 318.245 -0.494 5 10 DBBE C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)CN1CCO 1643089422 HPVGHZGBZDDSIV-NXEZZACHSA-N 312.330 -0.900 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cc[nH]n1 1713574221 SEYZRPCQXYTFEO-UHFFFAOYSA-N 307.314 -0.087 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]1CO 2148958990 TWHCBASGHGLSPA-MRVPVSSYSA-N 302.312 -0.364 5 10 DBBE Cc1nn(C(C)C)c(NCCNS(N)(=O)=O)c1[N+](=O)[O-] 2157534177 HCJYDNUOLZIDBE-UHFFFAOYSA-N 306.348 -0.114 5 10 DBBE C[C@H](N=c1[nH]c(NN)ncc1[N+](=O)[O-])[C@@H](C)S(C)(=O)=O 2170587516 CIHDJJLJSYJJMW-NTSWFWBYSA-N 304.332 -0.674 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2174120428 XJKRJOIZHBAHBQ-POYBYMJQSA-N 306.296 -0.680 5 10 DBBE CS(=O)(=O)[C@H]1C[C@H](CN=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])C1 2192331907 XFZXZBWFFBEETP-LJGSYFOKSA-N 301.328 -0.546 5 10 DBBE O=C(O)[C@H]1CN(c2cccc([N+](=O)[O-])n2)CCS1(=O)=O 2197721781 DANBFUUKPNRVRL-SSDOTTSWSA-N 301.280 -0.322 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1nc(C)ncc1[N+](=O)[O-] 2286616414 MNLUMLUHEWGKOJ-IONNQARKSA-N 302.312 -0.083 5 10 DBBE Cc1ncc([N+](=O)[O-])c(=NC[C@H]2CCS(=O)(=O)N2C)[nH]1 2286619812 AUXAKMTVRWVOFZ-MRVPVSSYSA-N 301.328 -0.439 5 10 DBBE C[C@H](O)[C@H](N)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 80748814 QKNRRCYOZZUMBG-IMTBSYHQSA-N 307.303 -0.280 5 10 DBBE CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 132380962 FZDVIXXQDCYDJX-ZETCQYMHSA-N 316.339 -0.020 5 10 DBBE CO[C@H]1C[C@H](C(=O)O)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 262088636 CFIFIZGABGUJCN-JGVFFNPUSA-N 312.282 -0.049 5 10 DBBE CS(=O)(=O)[C@@H]1CCCN(c2nc(N)ncc2[N+](=O)[O-])C1 313451466 BUUJMWOFBRNCDJ-SSDOTTSWSA-N 301.328 -0.020 5 10 DBBE O=C(C1CC1)[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1 338207866 VSWMKJDLNSANED-VIFPVBQESA-N 309.282 -0.607 5 10 DBBE NNc1sc(S(=O)(=O)NCCN2CCC2)cc1[N+](=O)[O-] 700145533 XGLNNOSQKJWCOD-UHFFFAOYSA-N 321.384 -0.074 5 10 DBBE C[C@H](O)[C@@H](O)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 717415829 PNHDQWXFZOKPEI-XPUUQOCRSA-N 308.287 -0.246 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(CO)COC2)cn1 717586374 MNDUDXOFDSRZDZ-UHFFFAOYSA-N 303.296 -0.723 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(c2nc[nH]n2)CC1 1143874883 JYQFEINZZSGTPE-UHFFFAOYSA-N 320.313 -0.433 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CO)c1cncn1C 1149207263 ZKPBDFPTNCQVRZ-VIFPVBQESA-N 308.298 -0.317 5 10 DBBE CNC(=O)[C@@]1(C)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1156085517 ZJTHDCHDFAIUDI-AWEZNQCLSA-N 322.321 -0.259 5 10 DBBE CCN(C)C(=O)CN(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1280814998 WWQPBQURQFXTLZ-VXGBXAGGSA-N 314.386 -0.090 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC(C)C 1317479482 GTUWCFYEGIUELC-GHMZBOCLSA-N 300.359 -0.386 5 10 DBBE CN1CCN(C2CN(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)CC1 1333282481 VAJGABFTARWLSD-UHFFFAOYSA-N 308.342 -0.600 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN([C@H]2CCC[C@@H]2O)CC1 1442799626 FYAYJQYEFXVGEH-ONGXEEELSA-N 309.326 -0.011 5 10 DBBE CN1CCN(C2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 1448686716 OBDGBDCMKSMVBK-UHFFFAOYSA-N 320.353 -0.356 5 10 DBBE Cn1c(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnc1O 1533490825 CFDVBRUPYAEOSV-BNEREYBLSA-N 323.309 -0.807 5 10 DBBE COC1(C(=O)Nc2c([N+](=O)[O-])ncn2C)CS(=O)(=O)C1 1540171288 SKKCORAIMREEDY-UHFFFAOYSA-N 304.284 -0.920 5 10 DBBE CS(=O)(=O)CCNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1571113532 GVEMJSDGNHTRLF-GWOFURMSSA-N 319.383 -0.819 5 10 DBBE COC(=O)[C@@H](CN)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1615977184 JPUMNFRANMUYKT-SSDOTTSWSA-N 303.296 -0.627 5 10 DBBE COC(=O)[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1 1626553065 SOYMEXCLPHRZES-RKDXNWHRSA-N 311.298 -0.014 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=NC[C@@]1(CO)COCCN1 1652189154 QKPLAFAQBINDKE-LLVKDONJSA-N 302.718 -0.172 5 10 DBBE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)[C@@H]2C1 1652966825 HJCTUCBURXXIHS-KYXWUPHJSA-N 323.309 -0.110 5 10 DBBE CCCN(CCNC(=O)CNC(C)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704369501 IUNIIHOLNAARAY-GHMZBOCLSA-N 314.342 -0.858 5 10 DBBE CN(CCCNC(=O)c1cnccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737091646 ZJPFCGOUTQRKEZ-MWLCHTKSSA-N 307.310 -0.280 5 10 DBBE Nc1cccc(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)c1[N+](=O)[O-] 2149266380 MJESGCPIMSEBOH-HTRCEHHLSA-N 305.287 -0.120 5 10 DBBE NC[C@H]1COC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 2154118401 IHUDUSNQHQMIRA-GZMMTYOYSA-N 301.324 -0.153 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1cc(Cl)ncc1[N+](=O)[O-] 2157549188 XHKIYALTRPVEII-UHFFFAOYSA-N 323.718 -0.834 5 10 DBBE CCc1ncc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@@H]2N)n1 2286673265 DPKOTLHPGWJJRU-POYBYMJQSA-N 302.312 -0.550 5 10 DBBE Nc1cc(C(=O)NCCCS(N)(=O)=O)ccc1[N+](=O)[O-] 54415005 FEADMTKZOMVTBI-UHFFFAOYSA-N 302.312 -0.415 5 10 DBBE CC(CO)(CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 126288771 NUJROQPXXVQYGY-UHFFFAOYSA-N 308.287 -0.245 5 10 DBBE O=C(Cn1cnnn1)N1CCN(c2ccncc2[N+](=O)[O-])CC1 340156374 CMGYEDFSPYDWGY-UHFFFAOYSA-N 318.297 -0.675 5 10 DBBE NC(=O)[C@@]1(O)CCN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1 348208484 HYWNKLFHJGQVKQ-CYBMUJFWSA-N 305.294 -0.107 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC(=O)N1 594779521 SMBOQYWEUGNZNC-ZETCQYMHSA-N 300.296 -0.501 5 10 DBBE COc1cc(OCC(=O)N2CC(O)(CO)C2)ccc1[N+](=O)[O-] 597704511 BWKJGIOTEKMXRD-UHFFFAOYSA-N 312.278 -0.452 5 10 DBBE CNC(=O)NC[C@@H]1CN(Cn2cc([N+](=O)[O-])c(C)n2)CCO1 863286258 DRMZGZQSLVOPRP-SNVBAGLBSA-N 312.330 -0.313 5 10 DBBE C[C@@H](NC(=O)Cn1ncc([N+](=O)[O-])n1)C(=O)N1CCCCC1 863374296 PQQZPXVPOZNWGK-SECBINFHSA-N 310.314 -0.297 5 10 DBBE C[C@@H](CN1CCN(C)CC1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 1144612177 AAIRVSSTPLIPJP-JTQLQIEISA-N 322.369 -0.062 5 10 DBBE CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cn1cnnn1 1493472337 DMXOJKYMAZGELO-UHFFFAOYSA-N 319.325 -0.171 5 10 DBBE CCN(C)C(=O)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1691703123 RJROXVFNULLDMO-WRWGMCAJSA-N 312.370 -0.386 5 10 DBBE N=c1ccc([N+](=O)[O-])c(N2CCC[C@H]2CS(N)(=O)=O)[nH]1 2146418795 PDMBIVYTLZQKDY-ZETCQYMHSA-N 301.328 -0.340 5 10 DBBE CO[C@H](CCO)CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2168515403 DWIQMTYVRMVAQS-MRVPVSSYSA-N 305.312 -0.335 5 10 DBBE COC(=O)CN(C)S(=O)(=O)Nc1ncccc1[N+](=O)[O-] 2202432585 SNJXWJFNXXKAFG-UHFFFAOYSA-N 304.284 -0.249 5 10 DBBE CO[C@@H]1CNC[C@H]1S(=O)(=O)Nc1ccc([N+](=O)[O-])cn1 2202439859 PCNMVKSCUQCLGH-RKDXNWHRSA-N 302.312 -0.282 5 10 DBBE CS(=O)(=O)NC1CN(c2cc(NN)ccc2[N+](=O)[O-])C1 2206798715 VXFOBCKOVFSYIK-UHFFFAOYSA-N 301.328 -0.382 5 10 DBBE NC(=O)CN(CC(N)=O)C(=O)c1cc([N+](=O)[O-])ccc1Cl 61808627 GLCDFIXFDUDMSJ-UHFFFAOYSA-N 314.685 -0.339 5 10 DBBE NNc1ncnc(N[C@H]2CCCS(=O)(=O)C2)c1[N+](=O)[O-] 160367980 CPIDQKNOWJUSQQ-LURJTMIESA-N 302.316 -0.341 5 10 DBBE CSC[C@@](C)(O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 230164991 RYOMQJLWQGDRMY-QWRGUYRKSA-N 304.372 -0.144 5 10 DBBE COC(=O)c1cc(C)nc(NCc2nnn(C)n2)c1[N+](=O)[O-] 343091538 GXGXEXSVWJVEJT-UHFFFAOYSA-N 307.270 0.220 5 10 DBBE C[C@](O)(CO)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] 567877345 NJCQMZZZLJGBLY-GXFFZTMASA-N 300.311 -0.333 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)[C@@H](O)CO 698921863 XENKIKDUDYXMEI-WKEGUHRASA-N 308.287 -0.246 5 10 DBBE O=C(NS(=O)(=O)N1CCNCC1)c1cc([N+](=O)[O-])cs1 714290914 OCPHSDKCQKGXJL-UHFFFAOYSA-N 320.352 -0.464 5 10 DBBE C[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N1CCNC1=O 772061755 YPWGTIIDFFGVNS-ZCFIWIBFSA-N 311.254 -0.575 5 10 DBBE C[C@@](O)(CO)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 801973411 FPVYASOBOJMOEF-ZDUSSCGKSA-N 308.294 -0.196 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H](c2nn[nH]n2)C1 1302937658 PSWJKYPPGDWQKY-QMMMGPOBSA-N 306.286 -0.289 5 10 DBBE Cc1ccnc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1326023993 RENSJIDSTATXQK-VXGBXAGGSA-N 323.353 -0.639 5 10 DBBE CCOC(=O)COCCNC(=O)Cn1cc([N+](=O)[O-])cn1 1449779000 ZRTCMFHUAYGFJP-UHFFFAOYSA-N 300.271 -0.513 5 10 DBBE CN(CC(N)=O)C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1629966206 LEJVGIOJUGHBFD-UHFFFAOYSA-N 304.266 -0.267 5 10 DBBE NS(=O)(=O)C[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 1654523913 NGPBREQCICKJMQ-JTQLQIEISA-N 317.371 -0.066 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1csnn1 1738360004 WNIZBLVFTZQGAM-VXNVDRBHSA-N 313.339 -0.266 5 10 DBBE O=C(CCc1cncnc1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1745895193 YWQZEARGCNKHEU-VXGBXAGGSA-N 319.321 -0.599 5 10 DBBE CN(CCCNC(=O)c1cnn(C)c1N)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758361334 XAISAOBPCYTJCG-PSASIEDQSA-N 324.341 -0.754 5 10 DBBE CN=c1nc(C(=O)N2CC([N+](=O)[O-])C2)c(Br)c[nH]1 2071558343 LJHCJTUYJWTJGF-UHFFFAOYSA-N 316.115 -0.196 5 10 DBBE CN=c1[nH]c(N(C)[C@H]2CCS(=O)(=O)C2)ncc1[N+](=O)[O-] 2157681558 FDOSATWMNSSEBW-ZETCQYMHSA-N 301.328 -0.528 5 10 DBBE CN=c1[nH]c(N[C@@H]2CCS(=O)(=O)[C@@H]2C)ncc1[N+](=O)[O-] 2157682939 YRULXZHNAAZGSV-RNFRBKRXSA-N 301.328 -0.164 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2174118953 MKINQDVLEFJFJV-POYBYMJQSA-N 308.287 -0.246 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O 2177944973 PLGZLUBPZNTGAJ-KYNKHSRBSA-N 304.690 -0.447 5 10 DBBE N[C@H](CS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)O 2195335652 JGRUQIVAGFSYEI-SNVBAGLBSA-N 302.308 -0.036 5 10 DBBE C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593591366 UXEGNUGNOHGLGM-XCBNKYQSSA-N 314.323 -0.207 5 10 DBBE CNC(=O)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593609480 QUNOMWRXNQFRRR-SSDOTTSWSA-N 302.312 -0.207 5 10 DBBE COC(=O)c1cc(C(=O)N[C@H]2CCNC2=O)cc([N+](=O)[O-])c1 597855508 JMMYUSCKJPBHLG-JTQLQIEISA-N 307.262 0.000 5 10 DBBE Cc1nn(C)c(C)c1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296164520 VGFXACISFPGYGB-GHMZBOCLSA-N 323.353 -0.110 5 10 DBBE CNc1nccc(C(=O)N2C[C@@H](O)C[C@@]2(C)CO)c1[N+](=O)[O-] 1301122301 QBQLSACUROHTCB-SDBXPKJASA-N 310.310 -0.011 5 10 DBBE C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C 1444422454 XRLXAVFJXSORKN-BXKDBHETSA-N 322.369 -0.064 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCS(=O)(=O)C2)n1 1624121061 FWIPDXJEDNRMNP-MRVPVSSYSA-N 316.339 -0.024 5 10 DBBE CCn1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1759888241 FPJGINSLARDQOA-GHMZBOCLSA-N 321.337 -0.053 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)c1 2149266111 IQPUBLSBJACKER-CBAPKCEASA-N 305.287 -0.120 5 10 DBBE N[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2149988368 NQQNDUNUTKXSGV-IUCAKERBSA-N 305.287 -0.262 5 10 DBBE NNc1ccc([N+](=O)[O-])c(N2CC[C@H](S(N)(=O)=O)C2)c1 2206775567 LMKHLDIZKOSQQK-QMMMGPOBSA-N 301.328 -0.252 5 10 DBBE N[C@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)O 2286028499 VMINBBPBOQALHO-SSDOTTSWSA-N 307.259 -0.113 5 10 DBBE CS(=O)(=O)CCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50620694 KYFJETBDORVENE-UHFFFAOYSA-N 323.352 -0.500 5 10 DBBE O=C1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2F)CCN1 58014971 HHNOPZKDHHLOCB-UHFFFAOYSA-N 321.261 -0.007 5 10 DBBE COC[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 71271117 FWCRNSRYDLCVFD-VIFPVBQESA-N 320.323 -0.111 5 10 DBBE CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 122569546 TYRQUKYUGYDDGD-WCBMZHEXSA-N 312.330 -0.010 5 10 DBBE COCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 490052929 IPTSUACKVGQXLB-DGCLKSJQSA-N 314.342 -0.111 5 10 DBBE O=C(NCCCN1C(=O)CNC1=O)c1ccc([N+](=O)[O-])cn1 532138492 QBSYBPBZDYDSHT-UHFFFAOYSA-N 307.266 -0.339 5 10 DBBE NC(=O)CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1=O 595542555 XOJJVDXYWAKLLX-UHFFFAOYSA-N 310.285 -0.137 5 10 DBBE CN(C)CCN1CCN(c2ccnc(O)c2[N+](=O)[O-])CC1=O 596291631 ZKNSFVJOMQEODK-UHFFFAOYSA-N 309.326 -0.094 5 10 DBBE CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 597693491 FDGYCKUGKFMAJJ-WDEREUQCSA-N 324.341 -0.492 5 10 DBBE C[C@@H]1CCNC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599107194 KXJYPMXTDTZHOZ-SFYZADRCSA-N 303.344 -0.395 5 10 DBBE COC[C@](C)(O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599240846 KOWUWWQJRJZFBE-SECBINFHSA-N 308.316 -0.996 5 10 DBBE CN(CC1(CO)CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599287004 FZCPCLCBJJPKQY-UHFFFAOYSA-N 304.328 -0.279 5 10 DBBE CNC(=O)NC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1 599539514 GJUIZLYVWRJEPY-NSHDSACASA-N 312.330 -0.579 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)[C@H](O)CO 698917320 DWJJSAVUUNPSGF-PSASIEDQSA-N 304.324 -0.077 5 10 DBBE O=C1NCC[C@@H]1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 703897191 UEHDTWQSTUCGPK-ZETCQYMHSA-N 301.280 -0.533 5 10 DBBE Cn1cnc([N+](=O)[O-])c1OCC[C@@H]1CNCCS1(=O)=O 725062120 UUYIJVNOZSEGNF-MRVPVSSYSA-N 304.328 -0.516 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)Nn1cc(Br)cn1 778396813 OCOYOFCGKGUCPB-UHFFFAOYSA-N 316.075 -0.084 5 10 DBBE COc1nc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])co1 1283245158 BWHPOCQBZMTMLX-VXNVDRBHSA-N 312.282 -0.416 5 10 DBBE CC(C)N(C)CC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1284160025 FBFJSBQOAWBIGQ-DIACKHNESA-N 324.381 -0.435 5 10 DBBE CO[C@]1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCSC1 1289099656 MKZIPZJAOSRJBF-JTQLQIEISA-N 301.328 -0.175 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN1CCCO 1569470201 OHVCVKOPKKXKOP-JTQLQIEISA-N 311.342 -0.095 5 10 DBBE CN(C)C[C@]1(O)CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)C1 1587976023 VTWFSXULPVDKBG-CYBMUJFWSA-N 310.310 -0.166 5 10 DBBE CCN(CCS(C)(=O)=O)C(=O)Cn1c([N+](=O)[O-])cnc1C 1630823120 KVDYEAUKLITHPW-UHFFFAOYSA-N 318.355 -0.007 5 10 DBBE CCn1nncc1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1633663481 DSHNWFJXGCSOBZ-UHFFFAOYSA-N 306.282 -0.316 5 10 DBBE O=C(NCC(O)(CO)CO)c1ccc(Cl)cc1[N+](=O)[O-] 1913800604 LOTUTQPRRHVMIG-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1COC[C@@H]1N 2149985584 DQAIKSHVLXMKMI-UWVGGRQHSA-N 301.324 -0.092 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1COC1 2154133722 TVVFCZWGVAZSNC-UHFFFAOYSA-N 302.312 -0.195 5 10 DBBE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ccccc1[N+](=O)[O-] 2286052851 GIPOSYOGRNZHND-ZETCQYMHSA-N 303.296 -0.163 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC(=O)N1 79937860 SKVLFYSXGDZKLA-SSDOTTSWSA-N 314.323 -0.266 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 343028746 SHPZQBGYMIESPD-JTQLQIEISA-N 319.277 -0.326 5 10 DBBE O=C1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]2CCCC[C@@H]2N1 344199318 JCXOUYXYVUPYFP-IUCAKERBSA-N 308.298 -0.544 5 10 DBBE Cc1nn(CCC(=O)NC[C@](C)(O)CO)c(C)c1[N+](=O)[O-] 355287177 HDAMXCLWMJOJOX-LBPRGKRZSA-N 300.315 -0.342 5 10 DBBE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 592878536 FKGWPUGYASPXCS-SNVBAGLBSA-N 324.341 -0.630 5 10 DBBE CS(=O)(=O)NC[C@@H]1COCCN1c1ncc([N+](=O)[O-])s1 599185913 WVHUDGVXASGQCI-SSDOTTSWSA-N 322.368 -0.194 5 10 DBBE C[C@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[S@](C)=O 599261678 WWHPDQRYDAADGK-XJZHNMMOSA-N 324.384 -0.236 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC(=O)N1C 599300003 RRHKFFQRZZSDDU-ZETCQYMHSA-N 317.327 -0.821 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)c1ccc([N+](=O)[O-])c(N)c1 719724542 OCVBLKVMNLBBBB-UHFFFAOYSA-N 302.312 -0.463 5 10 DBBE NS(=O)(=O)NC1CCN(Cc2cccnc2[N+](=O)[O-])CC1 1196797824 DXZUJUVMGPXKST-UHFFFAOYSA-N 315.355 -0.253 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(N2CC[C@@H](O)C2)CC1 1328509038 KADIBSWOMZCSMK-SNVBAGLBSA-N 309.326 -0.011 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)C[C@H]2CCCO2)n1 1328946830 SAWNJLSFOPQEPN-SSDOTTSWSA-N 318.311 -0.298 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 1449497256 YGBNHTLICMSXLG-UHFFFAOYSA-N 302.312 -0.563 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)N1CCOCC1 1597959264 KPHPVAHEFWONSL-UHFFFAOYSA-N 308.294 -0.234 5 10 DBBE C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)S(C)(=O)=O 1630905848 YDPDNELHLWKQMH-QMMMGPOBSA-N 317.323 -0.694 5 10 DBBE Cc1cnc(N2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1655884236 KXSUYJLCGSTEDC-SECBINFHSA-N 313.339 -0.363 5 10 DBBE Cc1nc[nH]c1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1687539955 UZYHYYKSROHOOO-NXEZZACHSA-N 309.326 -0.038 5 10 DBBE COc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)O)cc1[N+](=O)[O-] 1865946123 RWMDFRAHQOOLSX-RKDXNWHRSA-N 300.223 -0.652 5 10 DBBE CN1CC(Cn2nc([N+](=O)[O-])nc2Br)(C(=O)O)C1 2035962953 IZIPKDOCVJUQHY-UHFFFAOYSA-N 320.103 -0.035 5 10 DBBE NNc1sc(S(=O)(=O)N2CC(CO)C2)cc1[N+](=O)[O-] 2092547176 BOCOZZYRYRQMFB-UHFFFAOYSA-N 308.341 -0.445 5 10 DBBE C[C@H]1[C@@H](C)N(c2ncc([N+](=O)[O-])c(=N)[nH]2)CCS1(=O)=O 2170260642 LEASSMJIAXMZNQ-RQJHMYQMSA-N 301.328 -0.191 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2174116823 QRBMXCBVIXSAEM-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE CC[S@@](C)(=O)=NCCN=c1[nH]c(NN)ncc1[N+](=O)[O-] 2187306596 HXABXHCBTYSWNK-HXUWFJFHSA-N 303.348 -0.378 5 10 DBBE Cn1cc([N+](=O)[O-])c(C[S@](=O)C(C)(C)[C@H](N)C(=O)O)n1 2195279871 XTNAUCONJHINOP-SQFXPLBJSA-N 304.328 -0.233 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)CCCCCN)n1 2240631750 CEPOSQJMCASTND-UHFFFAOYSA-N 305.360 -0.123 5 10 DBBE Cn1nc(Br)c(CN=c2nc([N+](=O)[O-])n(C)[nH]2)n1 2321694927 WCBRNPDCWUUBIF-UHFFFAOYSA-N 317.107 -0.352 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 136168291 ZSFRBISZOQNQSY-ZCFIWIBFSA-N 317.327 -0.577 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 136252908 FJPDPJNQLVRMNA-LURJTMIESA-N 302.312 -0.281 5 10 DBBE CC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C(N)=O 206285954 BMGJOMKIYZGDAP-UFBFGSQYSA-N 322.321 -0.368 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cncc([N+](=O)[O-])c1 312297908 NDBARDZOAQCWOT-SSDOTTSWSA-N 300.296 -0.501 5 10 DBBE CCOC(=O)[C@](C)(O)CNC(=O)c1nn(CC)cc1[N+](=O)[O-] 427677636 HPXSOCJOHCHCGN-GFCCVEGCSA-N 314.298 -0.145 5 10 DBBE CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1=O 593784595 SCIRGLVRVUQOMS-UHFFFAOYSA-N 310.314 -0.836 5 10 DBBE C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)CO 698918005 HPBYERIDFLHWCU-KCJUWKMLSA-N 304.324 -0.244 5 10 DBBE C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](O)CO 704948346 RRVONOCFRYQORO-XPUUQOCRSA-N 308.287 -0.246 5 10 DBBE O=C1CCOC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 717237529 GYXMNIPINUXQBE-MRVPVSSYSA-N 301.280 -0.374 5 10 DBBE O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@@H]1COCCO1 750764813 SVMPINVMNUBOHS-QMMMGPOBSA-N 317.279 -0.790 5 10 DBBE O=C(Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1)NCCO 1150640666 CALSZBXKRVHSNY-VXGBXAGGSA-N 307.306 -0.059 5 10 DBBE CCN(CCNC(=O)[C@@H]1[C@H]2COC[C@H]21)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1284640350 TXTFYPRZYLTIMH-ZIQFBCGOSA-N 311.338 -0.491 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H](O)C(F)(F)F 1338898349 BPWQKYHDOQIAFW-QMMMGPOBSA-N 309.200 -0.204 5 10 DBBE O=C(CN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CCC1 1481557503 RVXOOFSJQHEIKP-VXGBXAGGSA-N 310.354 -0.632 5 10 DBBE O=C(NC[C@@]1(CO)COCCN1)c1cc(F)ccc1[N+](=O)[O-] 1635746573 QLBACDBHIJFPCW-CYBMUJFWSA-N 313.285 -0.185 5 10 DBBE NCCOCCNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2156031695 RJTLHEIBAVAUFZ-UHFFFAOYSA-N 307.303 -0.013 5 10 DBBE O=C1CN(c2cc(CO)sc2[N+](=O)[O-])CCN1CCO 2171077159 LWADNSDLUZBJRA-UHFFFAOYSA-N 301.324 -0.211 5 10 DBBE C[C@@H]1[C@H](O)CN1S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 2182522345 DVDXGPHOGLAFGA-LHLIQPBNSA-N 302.312 -0.366 5 10 DBBE Cn1cc([N+](=O)[O-])c(C[S@@](=O)C(C)(C)[C@H](N)C(=O)O)n1 2195279874 XTNAUCONJHINOP-ZPWHCFADSA-N 304.328 -0.233 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CC[C@@](O)(CO)[C@@H](O)C1 2234093258 SKWITNIPZXNVEO-GXSJLCMTSA-N 304.324 -0.557 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NCC2(S(N)(=O)=O)CCC2)[nH]1 2239236410 DEXFNZIQOLXEOA-UHFFFAOYSA-N 303.344 -0.144 5 10 DBBE O=C(NCCS(=O)(=O)CCO)c1csc([N+](=O)[O-])c1 2335859192 XORCBRNFOLTHGI-UHFFFAOYSA-N 308.337 -0.207 5 10 DBBE CCCN=c1nc(NN(C)S(C)(=O)=O)c([N+](=O)[O-])c[nH]1 2365340196 VSJIWYPRWUSLEQ-UHFFFAOYSA-N 304.332 -0.153 5 10 DBBE O=Cc1ccc(O[C@@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1 37693030 PFRJYRZFNBBAEY-MWLCHTKSSA-N 301.276 -0.056 5 10 DBBE O=C(O)c1ccc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@@H]2O)c1 50517652 VDGFIRBYBVKTKN-WPRPVWTQSA-N 317.275 -0.170 5 10 DBBE Cc1c(CNC(=O)C(=O)N2CC(CO)C2)cccc1[N+](=O)[O-] 360292548 NEQFOPAQKYOUGR-UHFFFAOYSA-N 307.306 -0.030 5 10 DBBE N[C@]1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOC1 688512225 JGLHNKYGDGHMFF-NSHDSACASA-N 301.324 -0.009 5 10 DBBE Cn1ncc(C(=O)COC(=O)CCn2cc([N+](=O)[O-])cn2)n1 791797994 SJWDPVQSUGXZIE-UHFFFAOYSA-N 308.254 -0.264 5 10 DBBE Cn1cc(CCOC(=O)Cn2cc([N+](=O)[O-])ccc2=O)nn1 851370583 CKOLDLZXYPBKJU-UHFFFAOYSA-N 307.266 -0.329 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H](S(C)(=O)=O)C1 1138955339 LQEUFVQJSCQWJK-SECBINFHSA-N 316.339 -0.255 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(N2CC[C@H](O)C2)CC1 1328509034 KADIBSWOMZCSMK-JTQLQIEISA-N 309.326 -0.011 5 10 DBBE CN(CCNC(=O)c1nc[nH]n1)Cc1c([N+](=O)[O-])ncn1C 1480926317 SXTGRGBPHYTRKW-UHFFFAOYSA-N 308.302 -0.692 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(CNCc2ccon2)CC1 1484953092 OMMQKAYJVRERLI-VXGBXAGGSA-N 324.337 -0.217 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccncn1 1721851649 HFKPPTGXXQPVOF-GRKXQCETSA-N 305.294 -0.456 5 10 DBBE CCN(C)C(=O)CN1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 1724620028 NWGOOLSIUDCXDO-YVECIDJPSA-N 324.381 -0.480 5 10 DBBE O=C(NCCN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1731444841 VCBHLLTYNQVCJD-DDHJBXDOSA-N 310.354 -0.585 5 10 DBBE CN(CCS(=O)(=O)N(C)C)c1ncnc(N)c1[N+](=O)[O-] 2151033364 LFZBRPYWCFTDPK-UHFFFAOYSA-N 304.332 -0.705 5 10 DBBE NCCOCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2156031042 IOHNZNTVWQKYPA-UHFFFAOYSA-N 305.312 -0.446 5 10 DBBE COCC(O)(CN=c1[nH]cnc(Cl)c1[N+](=O)[O-])COC 2175893854 XYPFZIGJYIESMR-UHFFFAOYSA-N 306.706 -0.104 5 10 DBBE CO[C@@H]1C[C@H]1NS(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 2188217835 CJTPMCKASULNDY-VXNVDRBHSA-N 302.312 -0.054 5 10 DBBE O=CN[C@H](C[S@](=O)Cc1ccc([N+](=O)[O-])cn1)C(=O)O 2195278587 JKIHYRNJJXZFDH-GSDQLPOLSA-N 301.280 -0.562 5 10 DBBE O=[N+]([O-])c1c[nH]ccc1=NS(=O)(=O)C[C@H]1CNCCO1 2202431833 FMTJSQXALRTXNN-MRVPVSSYSA-N 302.312 -0.858 5 10 DBBE O=[N+]([O-])c1cccnc1NS(=O)(=O)C[C@H]1CNCCO1 2202433286 FUDUDPXSPYWQEV-MRVPVSSYSA-N 302.312 -0.280 5 10 DBBE O=[N+]([O-])c1ccnc(NS(=O)(=O)C[C@H]2CNCCO2)c1 2202449239 TZCHLMSSXLNEMW-SECBINFHSA-N 302.312 -0.280 5 10 DBBE NCC(CO)(CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 2280456983 WXBZVCYYGWPBHJ-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE CS(=O)(=O)N1CC[C@@H](Oc2cc([N+](=O)[O-])cc(=N)[nH]2)C1 2285595092 HKEIACIAQMXGLW-MRVPVSSYSA-N 302.312 -0.185 5 10 DBBE Cc1nn(CCC(=O)N2CCOC3(CNC3)C2)c(C)c1[N+](=O)[O-] 596099272 QVPWAICFRPFLKT-UHFFFAOYSA-N 323.353 -0.001 5 10 DBBE Cc1cc(C(=O)NCC(=O)N2CC(O)(CO)C2)ccc1[N+](=O)[O-] 597706609 YLGZJFVQIVEEMW-UHFFFAOYSA-N 323.305 -0.801 5 10 DBBE Nc1cc(N2CCS(=O)(=O)CC2)cc(CO)c1[N+](=O)[O-] 612400250 BAJKXRGXWCTLKO-UHFFFAOYSA-N 301.324 -0.096 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H](O)CC(F)(F)C2)c1 615823138 XBVYKKUAPHQGKG-NXEZZACHSA-N 306.269 -0.146 5 10 DBBE N[C@@H](CS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)O 691674208 BWZUGQDMNWQVJM-VIFPVBQESA-N 303.296 -0.574 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] 698177633 YRNMRPHXTNZRPE-RITPCOANSA-N 323.352 -0.645 5 10 DBBE C[C@H]1CN(c2nc(NN)ncc2[N+](=O)[O-])CCS1(=O)=O 707398636 DBIIHHOLJXELNG-LURJTMIESA-N 302.316 -0.706 5 10 DBBE O=C(NC[C@H]1CCCS(=O)(=O)C1)c1n[nH]cc1[N+](=O)[O-] 1160434966 RHXGCLATZYEPMC-SSDOTTSWSA-N 302.312 -0.128 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@](O)(C(=O)OC)C2)n1 1175861938 KQGKWISITSOFRO-GFCCVEGCSA-N 312.282 -0.439 5 10 DBBE CNC(=O)CN(CC(=O)NC)C(=O)Cc1ccccc1[N+](=O)[O-] 1637369663 KKLFUGVPXNVVGD-UHFFFAOYSA-N 322.321 -0.542 5 10 DBBE NC(=O)c1ccnc(N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] 1643237716 PIFFKSONDCXNKC-MRVPVSSYSA-N 307.310 -0.344 5 10 DBBE O=c1c2nnn(Cc3ccc([N+](=O)[O-])cc3)c2ncn1CCO 1870101616 AKYXOHFENKTVCY-UHFFFAOYSA-N 316.277 -0.063 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@@H](O)C[C@H](O)C2)c1 2161390220 DWRNMYPYSMSLCO-IUCAKERBSA-N 303.296 -0.894 5 10 DBBE CO[C@H]1C[C@H]1NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 2188217577 BCAHYRDCCSMSQX-SCZZXKLOSA-N 302.312 -0.054 5 10 DBBE CN(CCCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1)C1CC1 2193704182 ZUCFUQCPCAXFNG-UHFFFAOYSA-N 303.344 -0.077 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NCC2[C@@H]3CS(=O)(=O)C[C@@H]23)[nH]1 2239238878 XMBVIRINXCLOCN-IUCAKERBSA-N 300.340 -0.064 5 10 DBBE N[C@H](CS(=O)(=O)Nc1c(O)cccc1[N+](=O)[O-])C(=O)O 2286029797 RYDCVJDIVWAEDF-RXMQYKEDSA-N 305.268 -0.546 5 10 DBBE COC[C@@H](O)CN(C)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 42499954 AUUXXVMTCZLGKM-JTQLQIEISA-N 300.315 -0.126 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 50674395 YWGIFVFWCOQKPU-LURJTMIESA-N 302.312 -0.410 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1N(C)CC(=O)N1CCNCC1 262305689 PCXKSGSVNDIKPQ-UHFFFAOYSA-N 310.358 -0.012 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C(CO)CO 313696546 RTNPYLLRIRNJQP-UHFFFAOYSA-N 304.324 -0.123 5 10 DBBE Cc1nc(N)nc(N2CCS(=O)(=O)[C@H](C)C2)c1[N+](=O)[O-] 707369892 UJNLLLXETZBCTP-ZCFIWIBFSA-N 301.328 -0.101 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H](O)CO 722300078 UXLTWPAGSMRUCI-QUBYGPBYSA-N 305.312 -0.803 5 10 DBBE O=C(NOCCO)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 787293232 LHEBOIRKLUEWQI-QMMMGPOBSA-N 313.266 -0.168 5 10 DBBE C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1(S(C)(=O)=O)CC1 1117297934 WUBSDUUZYSOPLP-ZETCQYMHSA-N 317.327 -0.732 5 10 DBBE CS(=O)(=O)CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1136369912 FBKUWMXBMPXWNY-UHFFFAOYSA-N 317.323 -0.693 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CO)[C@@H](O)C1 1154148175 SMYNYFZTOKOMLL-WCFLWFBJSA-N 310.306 -0.170 5 10 DBBE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CC[N+](=O)[O-] 1174632080 NYCYRGQYGPFIQJ-CYBMUJFWSA-N 319.358 -0.149 5 10 DBBE O=C(c1cc([N+](=O)[O-])ccc1-n1cnnn1)N1CC[C@@H]1CO 1289246608 KNFWNVLFNQMURK-SECBINFHSA-N 304.266 -0.223 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CO)c1nncn1C 1301184014 WHISBWIQYWFWFS-SNVBAGLBSA-N 306.282 -0.110 5 10 DBBE NC(=O)c1ncn(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])n1 1435255315 WTMSLOMQFCSBMN-UHFFFAOYSA-N 316.277 -0.126 5 10 DBBE Cc1nc(N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)n[nH]1 1452716225 DFEBQRBXOBAZQC-UHFFFAOYSA-N 306.286 -0.293 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCO[C@H]1CCOC1 1611116695 OBCTWWNPWGEKLP-NSHDSACASA-N 311.294 -0.322 5 10 DBBE Nc1ncc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] 1635983155 YVASGXLEUOWAMJ-QWRGUYRKSA-N 321.337 -0.147 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 1636568478 NHMTXDZAJHAJLC-UHFFFAOYSA-N 316.339 -0.173 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)Cc1ccccc1[N+](=O)[O-] 1639793381 LBTMPQXGGHBVIM-SNVBAGLBSA-N 316.335 -0.341 5 10 DBBE CN(CCNC(=O)c1nnn(C)n1)Cc1ccccc1[N+](=O)[O-] 1663253997 MYDQFEMUUQVUJC-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE CN(C(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1731476591 SGWNGGXFCAQQIL-RBLKWDMZSA-N 310.354 -0.491 5 10 DBBE C[C@H](O)[C@H](CO)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2174119392 PRLPKUNDMCVAPY-RCOVLWMOSA-N 308.287 -0.246 5 10 DBBE O=C(O)[C@@H](Nc1ccc([N+](=O)[O-])nc1)C1CS(=O)(=O)C1 2197527528 YXWHLHRPRMOBOX-VIFPVBQESA-N 301.280 -0.101 5 10 DBBE Cn1cc([N+](=O)[O-])c(=O)n(C[C@H](O)CNC(C)(C)C)c1=O 123526565 NUXOBUZMGHEFGG-MRVPVSSYSA-N 300.315 -0.796 5 10 DBBE CNc1sc(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)cc1[N+](=O)[O-] 234503729 VBVKRISCGOZSRQ-RNFRBKRXSA-N 323.352 -0.576 5 10 DBBE O=C(NC(CO)(CO)CO)c1ccc([N+](=O)[O-])c(Cl)c1 236492127 ANKQMZYMZMYSFQ-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE Nc1nc(N[C@@H]2CCN(C3CCOCC3)C2=O)ncc1[N+](=O)[O-] 364889058 QQXJJXZMUIGUEP-SECBINFHSA-N 322.325 0.159 5 10 DBBE COC(=O)[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 599248235 YPQYQSXSJYFLOT-MRVPVSSYSA-N 318.311 -0.442 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(F)(F)CO)n1 599278904 MDRLSGAJGBCMJI-UHFFFAOYSA-N 300.243 -0.766 5 10 DBBE CO[C@@H]1COC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599340450 MXBGNYMZQDZDSE-HTRCEHHLSA-N 306.300 -0.980 5 10 DBBE CN1CCOC[C@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 599454430 NJQSZVCDEFJNBT-SECBINFHSA-N 316.339 -0.401 5 10 DBBE O=C1NCC[C@@H]1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 699081631 JODJHUGATYGEOF-QMMMGPOBSA-N 303.271 -0.099 5 10 DBBE Cn1ccnc(N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)c1=O 744440997 NOXILNBRMCPWOO-UHFFFAOYSA-N 319.325 -0.335 5 10 DBBE NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 1289438042 XLVJGIURGNSEJS-QMMMGPOBSA-N 314.323 -0.260 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@]2(C)CCCO2)n1 1335185879 DAHBPGVAKJTYEC-JTQLQIEISA-N 318.311 -0.298 5 10 DBBE CCOCCN1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1479930812 NKIAHIUAUUGSIT-CHWSQXEVSA-N 314.386 -0.578 5 10 DBBE Nc1nc(N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)ncc1[N+](=O)[O-] 1612864599 RJYVVHNBHXRMAY-JGVFFNPUSA-N 313.339 -0.162 5 10 DBBE O=C(NC1(CNCCCO)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1724915462 KUVPETRDXOWGRM-GHMZBOCLSA-N 301.343 -0.711 5 10 DBBE O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnc2n1CCC2 1758171956 NSFSPGDEIFVESO-NXEZZACHSA-N 321.337 -0.269 5 10 DBBE COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)O 1865985935 AQEGIIRCOBEUPO-SECBINFHSA-N 311.250 -0.077 5 10 DBBE C[C@H](O)[C@H](CO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2174120430 XJKRJOIZHBAHBQ-XPUUQOCRSA-N 306.296 -0.680 5 10 DBBE O=[N+]([O-])c1c(F)nc[nH]c1=NC[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21 2174704835 KUNHESIAWLWGDC-KVSKUHBBSA-N 302.287 -0.352 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O 2177954216 IIAPYCGMPNKOBD-YRKGHMEHSA-N 303.702 -0.420 5 10 DBBE O=C(O)[C@H](Cc1nccs1)NC(=O)N1CC([N+](=O)[O-])C1 2191516613 JYPCBTCFNGWCNW-ZETCQYMHSA-N 300.296 -0.191 5 10 DBBE COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 346844827 LPCPVXBYKDMKNK-QXEWZRGKSA-N 323.309 -0.014 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](O)(C(N)=O)C2)c1 357025647 LPEAESCCSWJOJR-CYBMUJFWSA-N 309.278 -0.334 5 10 DBBE O=C1C[C@]2(CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CN1 434303306 YMFYSIFXEUQKGI-CYBMUJFWSA-N 322.325 -0.287 5 10 DBBE CCCN(CC(=O)OC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599215917 MJYGFVCACNKKQM-UHFFFAOYSA-N 320.327 -0.098 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CO)C2CCC2)n1 599338225 RFDRQXINAUVSDS-MRVPVSSYSA-N 304.328 -0.232 5 10 DBBE CCN1C(=O)[C@H]2CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCN2C1=O 611212294 AVWIJHSRCMHWKK-MRVPVSSYSA-N 322.281 -0.574 5 10 DBBE NNc1cccc(N2CC[C@@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] 707218801 DIVXMRKMBSOIRT-SSDOTTSWSA-N 301.328 -0.252 5 10 DBBE O=C1OC[C@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C[C@@H]12 859417751 ZPBANUQKAPMYHR-HTQZYQBOSA-N 313.291 -0.217 5 10 DBBE C[C@@H](CS(=O)(=O)N(C)C)OC(=O)Cn1cnc([N+](=O)[O-])n1 861155582 OGWLCVCLIVRLLZ-ZETCQYMHSA-N 321.315 -0.991 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(C[C@H](O)CNC2=O)C1 1154866999 PIGFHSADZVKEKN-VIFPVBQESA-N 320.305 -0.500 5 10 DBBE C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1nncn1C 1296585476 OOVJEPNIWHUETB-SECBINFHSA-N 320.309 -0.195 5 10 DBBE O=[N+]([O-])c1cccnc1N1CCS(=O)(=O)C[C@H]1CCO 1612945613 JYFLUSCEVNERIN-SECBINFHSA-N 301.324 -0.024 5 10 DBBE C[C@@H]1CO[C@@H](CO)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1630519988 NYANQQYBESNRPP-NXEZZACHSA-N 311.294 -0.635 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 1636014093 GXMWBPKHGOARAD-DTORHVGOSA-N 321.293 -0.779 5 10 DBBE CN(CCOCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc[nH]c1 1735115031 QJZCSAUKPTUZJN-VXGBXAGGSA-N 324.337 -0.115 5 10 DBBE Cc1ncn(C)c1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1747808235 DUMHYYHQSHHLQI-NXEZZACHSA-N 321.337 -0.228 5 10 DBBE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1c1ncc([N+](=O)[O-])cc1Cl 2200863428 QUIRFYJLSUAERM-GJMOJQLCSA-N 303.658 -0.362 5 10 DBBE Cc1ncc([N+](=O)[O-])c(N[C@H]2COC[C@@H]2S(C)(=O)=O)n1 2286608593 BZRVHKRAFBBKHU-CBAPKCEASA-N 302.312 -0.083 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC([C@H](O)CO)C2)c1 2362003430 WOBOAKHUSKVGMS-LLVKDONJSA-N 302.308 -0.432 5 10 DBBE CC(C)NC(=O)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 17300003 SQOFWXDXBWDWAK-UHFFFAOYSA-N 316.339 -0.020 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCOC[C@@H]2CO)c([N+](=O)[O-])c1 168911998 BTROUURUKQTXPX-VIFPVBQESA-N 317.323 -0.441 5 10 DBBE COC(=O)[C@@H](CO)NC(=O)c1cc(Cl)ncc1[N+](=O)[O-] 234520409 HMXJDJRWOOFBEW-ZCFIWIBFSA-N 303.658 -0.093 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCCN2)cn1 236407092 XGXMWDSXVIIJBE-MRVPVSSYSA-N 302.312 -0.744 5 10 DBBE CN(C)C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 246692738 IOACDQJSZUVNLM-OLZOCXBDSA-N 313.358 -0.585 5 10 DBBE C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@](O)(C(N)=O)C1 276448839 MMLSNEHUEZDJEK-LKFCYVNXSA-N 322.321 -0.156 5 10 DBBE O=C(O)c1cc([N+](=O)[O-])ncc1N1CCS(=O)(=O)CC1 312220351 DKAZPZPYPHMJJC-UHFFFAOYSA-N 301.280 -0.077 5 10 DBBE CNS(=O)(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1 339257671 ONQAYSMNGMSGBE-UHFFFAOYSA-N 302.312 -0.735 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595282339 QAPSOAYCFHNFKE-NOZJJQNGSA-N 324.293 -0.341 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)n1 599309946 MRSZPWOGWWYTBR-VGMNWLOBSA-N 316.339 -0.138 5 10 DBBE C[C@H](COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)[N+](=O)[O-] 813115532 UQMUTBGQIRWCFZ-QVKSAMRXSA-N 312.278 -0.643 5 10 DBBE CO[C@@H](Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)[C@H]1CCOC1 1118413713 YFMRPBLTRTWHLT-KWQFWETISA-N 311.294 -0.093 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCCN(S(C)(=O)=O)CC2)n1 1161923736 HTRPRWISPARDGL-UHFFFAOYSA-N 303.344 -0.200 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)CNS(C)(=O)=O 1439509546 UOEOOMAWPYDXEO-UHFFFAOYSA-N 318.355 -0.009 5 10 DBBE CNC(=O)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1570674427 YJKSPYDFFRPSMN-NXEZZACHSA-N 300.359 -0.528 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[C@@]1(O)CCOC1 1628450515 HEGNONCQVQZPMO-CYBMUJFWSA-N 311.294 -0.586 5 10 DBBE C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1CS(N)(=O)=O 1656303290 NZCQBVSVVWJNOB-ZJUUUORDSA-N 317.371 -0.352 5 10 DBBE O=C(Cc1nc[nH]n1)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1704414424 CHRUZZMZPDVYLW-NXEZZACHSA-N 322.325 -0.880 5 10 DBBE NC(=O)C1(N)CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 2162780723 LEMMXKGKBRDWGO-UHFFFAOYSA-N 300.706 -0.179 5 10 DBBE Cn1cnc(Cl)c1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2168231877 OWQNRETZWVMBBG-UHFFFAOYSA-N 320.718 -0.126 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CS(=O)(=O)C[C@@H]1O 2177814123 VHMSUWPZOGBINU-SFYZADRCSA-N 304.328 -0.311 5 10 DBBE CNc1ncnc(N2CC(CS(N)(=O)=O)C2)c1[N+](=O)[O-] 2194431270 YNVRXXXYUUQDDO-UHFFFAOYSA-N 302.316 -0.849 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@H]2CNC[C@H]2S(C)(=O)=O)[nH]1 2239243754 FXLUNWVCJOOTRR-IONNQARKSA-N 303.344 -0.970 5 10 DBBE O=[N+]([O-])c1ccc(CCN[C@H]2CS(=O)(=O)C[C@H]2O)cc1 40676096 UQHJKICZADRWIF-NWDGAFQWSA-N 300.336 -0.115 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@@H](N)[C@H](C)O)c([N+](=O)[O-])c1 80739099 RPKILXKUMMCWGX-IONNQARKSA-N 319.339 -0.410 5 10 DBBE O=C(O)[C@H](O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 90262977 AYCYILBOUGPVCD-MRVPVSSYSA-N 324.698 -0.028 5 10 DBBE CCNC(=O)N1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 177950376 ZTIIDDPIPCNBPQ-VIFPVBQESA-N 310.314 -0.289 5 10 DBBE CNC(=O)c1ccc(N2CC(=O)N(C)C(=O)C2)c([N+](=O)[O-])c1 274687283 PMUCWQHRBOWACE-UHFFFAOYSA-N 306.278 -0.241 5 10 DBBE C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)N(C)C 594778737 GVGCVONGHJXOOC-ZETCQYMHSA-N 302.312 -0.255 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)c1cnc2n1CCOC2 597409206 BWPBJUJCVAOOFH-UHFFFAOYSA-N 306.282 -0.052 5 10 DBBE COC(=O)c1cnc(N2CCO[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1 599186205 AZHQVISPKIQGDN-VIFPVBQESA-N 324.293 -0.143 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](CF)C2)n1 599327259 QFPKDAVRYLPACZ-SSDOTTSWSA-N 308.291 -0.313 5 10 DBBE C[C@H]1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C(=O)O1 849393586 AHRHURLDUNWFOS-NKWVEPMBSA-N 301.280 -0.028 5 10 DBBE Cn1ncc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 941007919 QHGFAHZOIRIMAX-MWLCHTKSSA-N 322.325 -0.845 5 10 DBBE O=C1NCCO[C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]12 1152824118 WMYZJAXQISIAPW-ZYHUDNBSSA-N 323.309 -0.703 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[C@H](O)[C@H](O)CC1 1155977031 DUNGNBVQBCOXAK-WLLOZRIZSA-N 312.326 -0.038 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NCCC1CS(=O)(=O)C1 1269303099 HZRRUDGWCRQEQB-UHFFFAOYSA-N 302.312 -0.658 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC(C)(C)O 1285366286 CGEJQAVMBDLFSJ-NXEZZACHSA-N 301.343 -0.271 5 10 DBBE Cc1n[nH]c(C)c1CC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296066880 GKLJGYQFUIGKFA-VXGBXAGGSA-N 323.353 -0.191 5 10 DBBE O=[N+]([O-])c1c(N2CCN3[C@H](CNS3(=O)=O)C2)ccnc1O 1472884810 QGXQAJTZLRFBHX-SSDOTTSWSA-N 315.311 -0.966 5 10 DBBE O=C(CCc1cncs1)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1575139421 GRKNXMXDGDVKNX-NXEZZACHSA-N 312.351 -0.027 5 10 DBBE NC1=CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)N1 1617202349 ZFDKXOIIRAIMLC-QMMMGPOBSA-N 321.293 -0.061 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cn(C)c(=O)nc1O 1650689157 KVVUNMBFHVZYIS-UHFFFAOYSA-N 307.266 -0.337 5 10 DBBE O=C(Cc1cc[nH]n1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1688655340 KTTOQIGIHBIDOF-GHMZBOCLSA-N 307.310 -0.808 5 10 DBBE O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC=CC1 1701242825 RXCSCKXEFJCGEF-VXGBXAGGSA-N 323.349 -0.303 5 10 DBBE CC(=O)NC1(CO)CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 1725018260 SHARIHMWJQRMGE-UHFFFAOYSA-N 311.342 -0.209 5 10 DBBE CN(CCNC(=O)CCCn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758942912 TWJVCKRWHLVCGB-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE O=C(O)C[C@H](NC(=O)C(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 1866062313 LGOUHGVYKCLGFB-QMMMGPOBSA-N 324.245 -0.250 5 10 DBBE NC(=O)[C@H]1CCN1S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 2145609441 IEWCLSBONDMWHV-MRVPVSSYSA-N 300.296 -0.575 5 10 DBBE Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)Nn1cnnc1 2145638873 KFNRNQROYUADAO-UHFFFAOYSA-N 302.247 -0.160 5 10 DBBE Cn1cc([N+](=O)[O-])c(=NCCCNS(=O)(=O)C2CC2)[nH]1 2158571674 JTFFPZMQUPRAOG-UHFFFAOYSA-N 303.344 -0.366 5 10 DBBE O=C(N[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O)c1cc([N+](=O)[O-])cs1 2177861803 XYTCRXZLETVSLP-JBABRTIHSA-N 302.308 -0.511 5 10 DBBE Cc1cc(=NCC2(O)CS(=O)(=O)C2)[nH]c(C)c1[N+](=O)[O-] 2283095174 MAPWMKLWVPXZTO-UHFFFAOYSA-N 301.324 -0.400 5 10 DBBE C[C@@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)O 131143505 DAPVXLFOYPQYOK-SNVBAGLBSA-N 322.270 -0.152 5 10 DBBE O=C(NC(CO)(CO)CO)c1ccnc(Cl)c1[N+](=O)[O-] 236492609 HASXNJNXHZBUJP-UHFFFAOYSA-N 305.674 -0.911 5 10 DBBE CNc1sc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] 323409875 MDHWKROHMPKJNA-VDTYLAMSSA-N 323.352 -0.264 5 10 DBBE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])o1 347377049 DCBXFCNZDCXPTK-MRVPVSSYSA-N 324.293 -0.345 5 10 DBBE NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1=O 413427160 YMRPPWXOAGMJSY-UHFFFAOYSA-N 311.273 -0.550 5 10 DBBE C[C@@H]1C(=O)N(C)CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] 592109126 UJJQSFYWAPACBS-SSDOTTSWSA-N 300.296 -0.202 5 10 DBBE COC(=O)[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599219727 GWYUJLAHGSRTTM-ZETCQYMHSA-N 318.311 -0.488 5 10 DBBE CC(=O)c1ccc(N2CCN(CC(N)=O)C(=O)C2)c([N+](=O)[O-])c1 840336788 LXEYVNKDOLQVEB-UHFFFAOYSA-N 320.305 -0.069 5 10 DBBE CN(Cc1cc[nH]n1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1327324092 UZIDSUUIGLTUKZ-UHFFFAOYSA-N 321.297 -0.711 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CCS(=O)(=O)CC2)C1 1440158139 UJOQBLGHGXKOIM-NXEZZACHSA-N 318.351 -0.542 5 10 DBBE C[C@@H](Cn1cncn1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1542560601 AAPZQNYRHMTZAQ-VIFPVBQESA-N 306.282 -0.447 5 10 DBBE NC(=O)N1CC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 1628319853 KCQZLWVUVVQPIM-ONGXEEELSA-N 308.294 -0.103 5 10 DBBE CN1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(=O)n(C)c3)C[C@H]2C1 1889806128 KBOZLEKZMXQJIV-GHMZBOCLSA-N 306.322 -0.073 5 10 DBBE C[C@](N)(CO)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2181129239 LPERZAZAOVSEFE-SNVBAGLBSA-N 307.303 -0.278 5 10 DBBE C[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2181184432 WAMPUWFZKHLTHE-SSDOTTSWSA-N 300.296 -0.501 5 10 DBBE C[C@H]1[C@@H](O)CN1S(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 2182524864 XCANWMYHFFUOMV-RCOVLWMOSA-N 302.312 -0.366 5 10 DBBE CS(=O)(=O)N1CC(CN=c2[nH]cnc(F)c2[N+](=O)[O-])C1 2233068890 WDJYVABZSJURBI-UHFFFAOYSA-N 305.291 -0.751 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@H]2CS(=O)(=O)C[C@@H]2OC)[nH]1 2238916781 WWANSNGFVHWDSG-CBAPKCEASA-N 304.328 -0.543 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)CCO 2360993917 JKWNEANVOXDSDK-UHFFFAOYSA-N 305.312 -0.930 5 10 DBBE CN(CCS(C)(=O)=O)C(=O)c1cccc([N+](=O)[O-])c1NN 161580005 JJSLDWLQUMWPEM-UHFFFAOYSA-N 316.339 -0.003 5 10 DBBE NC(=O)COCCNC(=O)c1cc([N+](=O)[O-])cnc1Cl 230047872 IRAWOLLQMOXFMS-UHFFFAOYSA-N 302.674 -0.125 5 10 DBBE C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593566076 GJOMVAYBKHQCON-SSDOTTSWSA-N 323.352 -0.299 5 10 DBBE NCCCOCCNC(=O)NCCn1cc([N+](=O)[O-])cn1 599921160 PCLROTCLTBOUTB-UHFFFAOYSA-N 300.319 -0.544 5 10 DBBE CS(=O)(=O)C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1 1198230123 OLNPRAXADNEXOE-NSHDSACASA-N 318.355 -0.463 5 10 DBBE COC[C@@]1(CO)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 1458380066 QBUCFAUWSBYDRZ-ZDUSSCGKSA-N 310.310 -0.076 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1CCCC1=O 1482596411 QGDNTZZTRXIRPR-VXGBXAGGSA-N 312.370 -0.336 5 10 DBBE COC(=O)[C@@](C)(CO)NC(=O)Cn1c([N+](=O)[O-])cnc1C 1556975536 NIEUIZVKBVWEDF-LLVKDONJSA-N 300.271 -0.860 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C1CC1)[C@H]1CC(=O)NC1=O 1626160339 JNYQHQHGDCOBHB-VIFPVBQESA-N 321.293 -0.494 5 10 DBBE COc1cccc(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c1[N+](=O)[O-] 1636015292 WPQNGYQJJYIKJF-DTORHVGOSA-N 319.273 -0.052 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1C1(C(=O)O)CS(=O)(=O)C1 2146099986 JNCNCWGCTLUIQF-UHFFFAOYSA-N 303.296 -0.130 5 10 DBBE NCC1(O)CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 2154726669 PVUVNBGDFZXLIS-UHFFFAOYSA-N 321.742 -0.058 5 10 DBBE C[C@@H](C(=O)N1CCC1)n1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156821619 UFBUHVWUINQQSD-LURJTMIESA-N 303.300 -0.768 5 10 DBBE C[C@@H](O)[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2174119645 RSCVPJMBAACUOT-SVRRBLITSA-N 308.287 -0.246 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CNCCS1(=O)=O 2202459359 WODMMMOIYRNURH-QMMMGPOBSA-N 300.296 -0.685 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 51448945 XLJHBSQPUQPSEX-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE O=C1CC[C@@H](CNS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)N1 79934221 KFHNIAKNZVGFHB-ZETCQYMHSA-N 315.307 -0.143 5 10 DBBE O=C(NCCN1CCNCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 170357844 KRGNVJHULBWBJJ-UHFFFAOYSA-N 321.337 -0.445 5 10 DBBE CCn1nccc1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 274645617 MULIXDOZKBNSPE-UHFFFAOYSA-N 314.327 -0.014 5 10 DBBE NCC1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])COC1 707853009 CPVVOVYIKUQEJJ-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE CNS(=O)(=O)c1ccc(N(CCN)OC)c([N+](=O)[O-])c1 708852650 LLUHXZGXMLZVCW-UHFFFAOYSA-N 304.328 -0.171 5 10 DBBE C[C@](O)(CO)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 801973227 CNSCGQGYWBHDIP-GFCCVEGCSA-N 302.258 -0.028 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn[nH]1 1296501927 KKKONONLJWAJLB-PSASIEDQSA-N 310.314 -0.562 5 10 DBBE CNc1nccc(C(=O)N2C[C@H](O)C[C@@]2(C)CO)c1[N+](=O)[O-] 1301122299 QBQLSACUROHTCB-OQPBUACISA-N 310.310 -0.011 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3C[C@]3(CO)C2)n1 1328826649 BENNALJDJYTLTD-GMSGAONNSA-N 302.312 -0.669 5 10 DBBE O=[N+]([O-])c1cccnc1N1CCS(=O)(=O)C[C@@H]1CCO 1612945614 JYFLUSCEVNERIN-VIFPVBQESA-N 301.324 -0.024 5 10 DBBE O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1635645115 AIBQTDUCJIWTKL-GFCCVEGCSA-N 314.319 -0.126 5 10 DBBE CCCN(CCNC(=O)c1cnn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1745465494 HHJLIIILEVGDBP-MWLCHTKSSA-N 324.341 -0.551 5 10 DBBE CNC(=O)CCS(=O)(=O)CC(=O)c1cc([N+](=O)[O-])c[nH]1 2145885527 OQLJJWKQQZRBMT-UHFFFAOYSA-N 303.296 -0.344 5 10 DBBE CN(c1cnc([N+](=O)[O-])cc1C(=O)O)C1CS(=O)(=O)C1 2152243215 CRLXQCVBQUIKJJ-UHFFFAOYSA-N 301.280 -0.079 5 10 DBBE CN=c1nc(N=[S@](C)(=O)[C@H]2CCNC2)c([N+](=O)[O-])c[nH]1 2173952871 ZFSHPTBEWIJBCB-SVWIBVJCSA-N 300.344 -0.060 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1N=c1[nH]n(C)c(C)c1[N+](=O)[O-] 2207487884 JFAIVCUBKRYQHQ-YUMQZZPRSA-N 304.328 -0.717 5 10 DBBE CN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1F 36266872 HNYPUDBQVSUAGK-NXEZZACHSA-N 319.314 -0.313 5 10 DBBE O=Cc1ccc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@H]2O)c1 50517493 AZCNXLJPGOTXCX-MWLCHTKSSA-N 301.276 -0.056 5 10 DBBE NNc1cccc(C(=O)NCCCS(N)(=O)=O)c1[N+](=O)[O-] 157106268 XLZHTGHRUOIGJQ-UHFFFAOYSA-N 317.327 -0.711 5 10 DBBE COCCN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1=O 271059184 DLAPNDFQVMFISQ-UHFFFAOYSA-N 323.309 -0.616 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2COC[C@@H]2O)cc1[N+](=O)[O-] 323749013 SNQXESKMXQSNCC-WPRPVWTQSA-N 303.296 -0.785 5 10 DBBE CCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CC(=O)N(C)C1=O 338243409 AFEAXXASZJLJCO-MRVPVSSYSA-N 324.297 -0.818 5 10 DBBE O=C1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(=O)N1 436015066 UBROEPCYWQXARP-SECBINFHSA-N 306.278 -0.072 5 10 DBBE O=C1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)N1 594867798 ODTJLMFHNCJQAL-ZETCQYMHSA-N 300.296 -0.453 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)C1O 599342567 RAHCNDVTCABXII-YUMQZZPRSA-N 318.355 -0.034 5 10 DBBE CNC(=O)C1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CCOCC1 1133814849 XPCUUZVLUICARD-UHFFFAOYSA-N 311.298 -0.797 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)n1 1319627130 PHNLMCKUIUELNN-ZETCQYMHSA-N 317.327 -0.908 5 10 DBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)CCC(C)(C)[N+](=O)[O-] 1439881521 VWBOFUJUXIDYEF-VIFPVBQESA-N 315.326 -0.336 5 10 DBBE Cc1nc(N2CCN3[C@H](CNS3(=O)=O)C2)ccc1[N+](=O)[O-] 1458632853 LYQJBPPCYAUIEU-SECBINFHSA-N 313.339 -0.363 5 10 DBBE O=C(CCc1cn[nH]c1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1578561924 LPBGFJLFMVIVLY-DDHJBXDOSA-N 321.337 -0.229 5 10 DBBE COC(=O)[C@H](CO)NC(=O)Cc1cccc(F)c1[N+](=O)[O-] 1623955556 LCCAGDIIOGVWSF-VIFPVBQESA-N 300.242 -0.074 5 10 DBBE CNC(=O)[C@H]1CN(C(=O)Cn2c([N+](=O)[O-])cnc2C)CCO1 1632652925 YJWSYSZQDLWOHH-SECBINFHSA-N 311.298 -0.927 5 10 DBBE Cn1ncc(CNCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)n1 1665921199 CGCLDMOQDOZNJS-VXGBXAGGSA-N 322.369 -0.001 5 10 DBBE CC(C)(O)CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1736067778 HYIZTWUHSCQPGZ-LMLFDSFASA-N 313.354 -0.176 5 10 DBBE Cc1ccc(S(=O)(=O)N(CCN)CCO)cc1[N+](=O)[O-] 2152163282 VLKLGYJCNKDCAE-UHFFFAOYSA-N 303.340 -0.155 5 10 DBBE CCS(=O)(=O)N(C)CCNCc1nn(C)cc1[N+](=O)[O-] 2159122175 CQKMQKJFBXJUKC-UHFFFAOYSA-N 305.360 -0.301 5 10 DBBE CS(=O)(=O)CC1CN(c2ncnc(NN)c2[N+](=O)[O-])C1 2159451425 JXMOZYHQFKGRND-UHFFFAOYSA-N 302.316 -0.849 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CN)CO 2182585446 DXESYPOKBWABLJ-ZETCQYMHSA-N 307.303 -0.360 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2CNC[C@H](F)C2)c1 2234650267 JLHDDHIZYRYCEX-SFYZADRCSA-N 304.303 -0.032 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NCC2[C@H]3CS(=O)(=O)C[C@H]23)[nH]1 2239238879 XMBVIRINXCLOCN-RKDXNWHRSA-N 300.340 -0.064 5 10 DBBE C[C@H](CS(N)(=O)=O)N=c1[nH]c(C2CC2)ncc1[N+](=O)[O-] 2286613071 UFHUBUZRRUXKPH-ZCFIWIBFSA-N 301.328 -0.227 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 352991182 SIXLDMYDRHEPKH-LURJTMIESA-N 303.300 -0.918 5 10 DBBE C[C@H](O)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C1 356890511 DEILHVBZMBMIIN-UWVGGRQHSA-N 312.330 -0.900 5 10 DBBE CNc1nccc(C(=O)NCC[C@@](C)(O)COC)c1[N+](=O)[O-] 567179134 ZVQLBGMOUMPLPK-CYBMUJFWSA-N 312.326 0.549 5 10 DBBE CCc1[nH]nc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)OC)c1[N+](=O)[O-] 598009658 ISRFJJVLDAMUBY-XCBNKYQSSA-N 312.282 -0.059 5 10 DBBE CS(=O)(=O)NC[C@@H]1COCCN1c1ncccc1[N+](=O)[O-] 599185911 WUVKTUZJXZCGDL-SECBINFHSA-N 316.339 -0.256 5 10 DBBE O=[N+]([O-])c1cnc(OCC[C@@H]2CNCCS2(=O)=O)nc1 725060384 JXBWTUNEPSAZML-SECBINFHSA-N 302.312 -0.460 5 10 DBBE COC(=O)[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@H]21 813625330 PRMQGGZPURKTSY-MYJAWHEDSA-N 306.278 -0.056 5 10 DBBE CCN(CC(=O)NC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1118812035 QEZVLSNQPBLNIB-UHFFFAOYSA-N 305.316 -0.915 5 10 DBBE Nc1ncc(C(=O)N2CCCS(=O)(=O)CC2)cc1[N+](=O)[O-] 1144730583 SAMXYQAUIAHFQY-UHFFFAOYSA-N 314.323 -0.167 5 10 DBBE NC(=O)[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(N)=O 1460427989 FSNSTAPNMVONDW-TXEJJXNPSA-N 306.322 -0.344 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC2(CC1)CC(=O)N2 1464605024 MNSHAXSHXRDVTC-UHFFFAOYSA-N 307.310 -0.019 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCN=S1(=O)CCCC1 1469625316 UIIQHLBNZHUBMI-UHFFFAOYSA-N 316.343 -0.436 5 10 DBBE O=C1NCCn2c(CCNc3ccc([N+](=O)[O-])cn3)nnc21 1655848139 PCJDVSAVSHORDX-UHFFFAOYSA-N 303.282 -0.021 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccnc(O)c1 1747771984 IJESANNWYAUGEF-NXEZZACHSA-N 320.305 -0.169 5 10 DBBE NC(=O)CC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)O 1866105840 USDZUZRJUNEPQX-MRVPVSSYSA-N 310.266 -0.176 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CCOC[C@@H]1[C@H](O)CO 2146326529 OZPYNHQLBNNPJK-HTQZYQBOSA-N 302.308 -0.150 5 10 DBBE Nc1cnc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCS1(=O)=O 2150729723 LPCAZCIXQHBALT-ZCFIWIBFSA-N 300.296 -0.511 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@]2(CO)C[C@H](O)C2)c1 2197293447 WXTPWYGBARTLGC-JGZJWPJOSA-N 302.308 -0.241 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NCCN2CCCS2(=O)=O)[nH]1 2238914886 ZSYBNBQDQHCSHF-UHFFFAOYSA-N 303.344 -0.320 5 10 DBBE NNc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N 21035913 NZHHTWAPBARCCZ-UHFFFAOYSA-N 324.326 -0.084 5 10 DBBE COC(=O)[C@@H](C)NC[C@H](O)Cn1nc(C)c([N+](=O)[O-])c1C 69369702 VYGAOKQQRWXDSG-SCZZXKLOSA-N 300.315 -0.080 5 10 DBBE CN(c1ncnc(NN)c1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 159222418 LDNGREWCXIOEBC-ZCFIWIBFSA-N 302.316 -0.706 5 10 DBBE C[C@@]1(C(N)=O)CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 185886721 FKKHZDKTNBZTCP-AAEUAGOBSA-N 311.342 -0.118 5 10 DBBE CNc1cc(C(=O)NCCS(N)(=O)=O)c([N+](=O)[O-])cn1 234499986 UILPKEMZXPBMDB-UHFFFAOYSA-N 303.300 -0.950 5 10 DBBE CN(C[C@@H](O)CN)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 313123594 CPBNANGMUGLFJE-ZETCQYMHSA-N 307.303 -0.326 5 10 DBBE O=c1c2c(ncn1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCOC2 1261503493 BVMVBKSTVZSFTI-JTQLQIEISA-N 321.293 -0.518 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([S@](C)=O)CC2)n1 1348135838 KJNMYIWPGWGWLC-IBGZPJMESA-N 322.368 -0.482 5 10 DBBE O=C(Cn1ccnc1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1530814211 UYUSSFOKAIDZJQ-GHMZBOCLSA-N 307.310 -0.877 5 10 DBBE CN(Cc1nnc2n1CCNC2=O)c1cccnc1[N+](=O)[O-] 1612902770 CMKRMCNTVOENQH-UHFFFAOYSA-N 303.282 -0.039 5 10 DBBE C[C@@]12CN(CCn3ccc([N+](=O)[O-])n3)C[C@]1(C)C(=O)NC2=O 1620487955 KSZFXNDAZGJSIF-BETUJISGSA-N 307.310 -0.224 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)Cc2cnn(C)c2)n1 1639488005 RCESIMREEQNPOO-SNVBAGLBSA-N 322.325 -0.122 5 10 DBBE Cn1cc(CN2CCN(Cc3nc[nH]n3)CC2)c([N+](=O)[O-])n1 1646573275 LFVZRKFXLRZJNS-UHFFFAOYSA-N 306.330 -0.236 5 10 DBBE CCCN(CCNC(=O)C(N)=O)Cc1c([N+](=O)[O-])ncn1C 1713549243 LLFNYOYKXNBPSZ-UHFFFAOYSA-N 312.330 -0.858 5 10 DBBE CC(C)NC(=O)CNCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1716540712 LNHCFRQCNLUNQK-GHMZBOCLSA-N 300.359 -0.386 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H](O)CO 1963039952 NTWFHTRDIFEWNB-SNVBAGLBSA-N 304.324 -0.075 5 10 DBBE Cc1[nH]c(=NC[C@@H](O)C(N)=O)c(Br)cc1[N+](=O)[O-] 1963087931 VYGRUGKMTFSFGP-SSDOTTSWSA-N 319.115 -0.259 5 10 DBBE O=C(NC1(C(=O)O)CNC1)c1cc([N+](=O)[O-])cnc1Cl 2152326265 OWFCDZBZHKJFCD-UHFFFAOYSA-N 300.658 -0.200 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C1 2170581993 VWXYFZRLMRVKLT-ZETCQYMHSA-N 301.328 -0.300 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2C[C@@H]3C[C@H]3CO2)nc1[N+](=O)[O-] 2179428057 LSKGTAUSQHCOIV-FXQIFTODSA-N 302.312 -0.136 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2CC[C@@H](NS(C)(=O)=O)C2)n1 2196044597 RYDCDUHMMUOPGB-MRVPVSSYSA-N 303.344 -0.548 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@](C)(O)CO)cc1[N+](=O)[O-] 90287491 QRRCSUNYFLRODR-NSHDSACASA-N 304.324 -0.075 5 10 DBBE C[C@H](O)[C@H](O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 717402443 RFMYBOSNQGUKGB-GZMMTYOYSA-N 304.324 -0.244 5 10 DBBE C[C@@H]1C[C@H](C(=O)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CO1 861326547 JYUUAUDQVSBDEZ-RQJHMYQMSA-N 318.311 -0.442 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1cccn1 1283717887 CEBHQHXVHIPJQS-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE O=C1NC(=O)[C@@]2(CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)N1 1326776351 SMZOFUVQPIZBCM-ZDUSSCGKSA-N 319.277 -0.196 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnsn1 1535145059 CWKDUXUSMLTXGP-HTRCEHHLSA-N 311.323 -0.418 5 10 DBBE Cc1cncn1CC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1577199004 FYUPWTBJYPDTQS-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE O=C1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C2(CN1)COC2 1625475461 PCXWPPBKWJEUJL-UHFFFAOYSA-N 321.289 -0.299 5 10 DBBE NCC(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H](CCC(N)=O)C(=O)O 1772502455 QSFWVFXHYVUKPB-SNVBAGLBSA-N 324.293 -0.395 5 10 DBBE O=C(O)[C@@]1(n2cnc([N+](=O)[O-])n2)CCCS(=O)(=O)CC1 2144981025 CUTFCXXIEPHGRO-SECBINFHSA-N 304.284 -0.435 5 10 DBBE CN=c1[nH]c(NC2CC(S(C)(=O)=O)C2)ncc1[N+](=O)[O-] 2157680986 WHQIBQKAWJIKEE-UHFFFAOYSA-N 301.328 -0.164 5 10 DBBE CCCN=c1cc(S(=O)(=O)N2CC([N+](=O)[O-])C2)cc[nH]1 2191503534 UFRLJTASGPFIOY-UHFFFAOYSA-N 300.340 -0.025 5 10 DBBE CO[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 36265017 VGZYRRZYSGENGS-MNOVXSKESA-N 301.324 -0.140 5 10 DBBE CN(C)C(=O)NCCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 160932130 JQKCEYAQDKHMNE-JTQLQIEISA-N 300.319 -0.987 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCNC[C@@H]1C(F)F 367994120 PRNHEDSKQQBQRL-SECBINFHSA-N 316.264 -0.178 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2CO)c1 698136186 FNVDZJMIIPRTCX-BDAKNGLRSA-N 303.296 -0.894 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CNC[C@H]1O 699962014 HRHDURWWIILTLM-JGVFFNPUSA-N 305.287 -0.655 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN[C@H](CCO)C2)cc1 725374404 LFWLWKRQEPAADV-SNVBAGLBSA-N 315.351 -0.060 5 10 DBBE NC(=O)C[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 863483369 NUIXWDGUIUDBQT-AAEUAGOBSA-N 323.305 -0.269 5 10 DBBE Cn1nccc1CCNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1269411965 YZFRWYZXBKJQLB-VXGBXAGGSA-N 307.354 -0.134 5 10 DBBE NC(=O)[C@]12CCC[C@H]1CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 1308110225 FWTGNFFUSOIQSV-JKOKRWQUSA-N 323.353 -0.260 5 10 DBBE NC(=O)C[C@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 1327078253 BYQDDXKAGNGKBG-MRVPVSSYSA-N 314.323 -0.124 5 10 DBBE Cc1cnn(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1349778663 IFPUZUZYCZPTAA-GHMZBOCLSA-N 309.326 -0.521 5 10 DBBE CN(CCNCc1nc(C2CC2)n[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1481228852 GWOVWWAZMGPEJY-NXEZZACHSA-N 308.342 -0.105 5 10 DBBE CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(CC(=O)NC(C)(C)C)C1 1499664361 GCRYUEIWLNFGAF-GHMZBOCLSA-N 312.370 -0.291 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCS(=O)(=O)C1 1565757989 KEQQPETUKLTTCE-ZETCQYMHSA-N 302.312 -0.365 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ncc[nH]1 1758494891 ZRWWXYJHOVMINT-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)O 1865985936 AQEGIIRCOBEUPO-VIFPVBQESA-N 311.250 -0.077 5 10 DBBE CNCC[S@](C)(=O)=NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2161170278 CKNIUGHPWSWHAQ-IBGZPJMESA-N 322.368 -0.004 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O 2177944974 PLGZLUBPZNTGAJ-SJNFNFGESA-N 304.690 -0.447 5 10 DBBE Nc1cc(O[C@H]2CS(=O)(=O)C[C@H]2N)c(F)cc1[N+](=O)[O-] 2184669847 UTKZOEYTVPKKHB-XCBNKYQSSA-N 305.287 -0.181 5 10 DBBE O=C1CN(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)CCN1 7216363 RSVAGIDBJLXWII-UHFFFAOYSA-N 303.271 -0.146 5 10 DBBE NC(=O)CCNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F 50656465 AXKYAOGNIVOLIJ-UHFFFAOYSA-N 306.275 -0.530 5 10 DBBE Cc1cccn(CC(=O)OCCn2cnc([N+](=O)[O-])n2)c1=O 181222221 CKIFRNNJQAPVOU-UHFFFAOYSA-N 307.266 -0.100 5 10 DBBE O=C(O)[C@@H](O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 236543459 URYLHBNRPASNPH-ZETCQYMHSA-N 305.268 -0.896 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1COC[C@H]1O 323116903 JNVSSDQKKGHBLS-VHSXEESVSA-N 302.308 -0.059 5 10 DBBE CC(C)(C)OC(=O)N[C@H](CNC(=O)/C=C\C(=O)NO)C(=O)O 380887492 RRSJJMNUQRMVEP-IQXGSHKSSA-N 317.298 -0.858 5 10 DBBE NC(=O)[C@]1(O)CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 586810674 NRTLDLWYNGHAOU-AWEZNQCLSA-N 323.305 -0.188 5 10 DBBE COC[C@H](O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593570579 ZZZPYYWMADMMLD-SECBINFHSA-N 305.312 -0.335 5 10 DBBE CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599266394 NZIHBOGOFBXCHN-SVRRBLITSA-N 324.384 -0.281 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3C[C@@]3(C(=O)O)C2)n1 600660392 ULPDCYFSFTXSFD-QUBYGPBYSA-N 316.295 -0.577 5 10 DBBE Cn1nnnc1CCNC(=O)COc1ccccc1[N+](=O)[O-] 611312845 GDJDOGATSPJWKB-UHFFFAOYSA-N 306.282 -0.144 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2CO)cn1 698134305 ADPADKXBSDHOLV-YUMQZZPRSA-N 303.296 -0.894 5 10 DBBE O=C1NCC[C@H]1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 699083055 QQNIIIQOFZTCDF-SSDOTTSWSA-N 303.271 -0.099 5 10 DBBE O=C1CCOC[C@@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 717237611 HPWNFMZLVRWRHL-VIFPVBQESA-N 301.280 -0.374 5 10 DBBE NC(=O)C1CN(S(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 721830565 CZOQXKLTRKYIKE-UHFFFAOYSA-N 300.296 -0.717 5 10 DBBE COc1cc([N+](=O)[O-])cn(CC2CN(S(C)(=O)=O)C2)c1=O 1307379609 SYSYWSZSIBJQLR-UHFFFAOYSA-N 317.323 -0.344 5 10 DBBE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1329314036 DWUSFIGPTQHGAR-SECBINFHSA-N 320.305 -0.142 5 10 DBBE C[C@@]12CN(CCn3cc([N+](=O)[O-])cn3)C[C@@]1(C)C(=O)NC2=O 1460599418 BUFMEEBQNLZOLJ-STQMWFEESA-N 307.310 -0.224 5 10 DBBE O=C(NC/C=C\CNCC(=O)N1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1497585056 RVTMUEVKEYSRJV-JZIZGNRHSA-N 310.354 -0.464 5 10 DBBE C[C@@H](O)[C@H](O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 1557730710 OAOAICNTSKDPIF-PRHODGIISA-N 308.294 -0.198 5 10 DBBE CC(C)OCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1579102959 WLZIZUVYOXVLKI-HMUNZLOLSA-N 311.338 -0.350 5 10 DBBE O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H](O)[C@@H](O)C1 1632216331 ZEBVXRUMMRGMIR-ZJUUUORDSA-N 310.262 -0.109 5 10 DBBE Cc1nc(N2CCC[C@]3(C2)NC(=O)NC3=O)ncc1[N+](=O)[O-] 1651027251 JUJDZNOAGZLMMS-GFCCVEGCSA-N 306.282 -0.128 5 10 DBBE O=C(NC/C=C\CNC(=O)C12CCN(CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] 1705035794 RNHIPTXRDFEHSQ-JZIZGNRHSA-N 322.365 -0.464 5 10 DBBE CCn1ccnc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705261195 ISUVBGVIZJMAJK-NXEZZACHSA-N 321.337 -0.053 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(O)(CO)C1 2171956236 GDCTVHYRJFDUPD-UHFFFAOYSA-N 302.308 -0.369 5 10 DBBE CN=c1nc(N=[S@@](C)(=O)[C@@H]2CCNC2)c([N+](=O)[O-])c[nH]1 2173952868 ZFSHPTBEWIJBCB-GLEHDBDLSA-N 300.344 -0.060 5 10 DBBE NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2181127204 QHYXDUSRBAKUIL-VHSXEESVSA-N 301.324 -0.323 5 10 DBBE CCc1ncc([N+](=O)[O-])c(N2CCS(=O)(=O)CCN2)n1 2286675704 AVCGUPXXJODYNO-UHFFFAOYSA-N 301.328 -0.313 5 10 DBBE CN1CCN(NC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 9995286 VACPHGCKBCHPAW-UHFFFAOYSA-N 307.310 -0.188 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 45011999 QEYYOMOEDFOBHS-UHFFFAOYSA-N 317.327 -0.705 5 10 DBBE O=[N+]([O-])c1ccccc1CNS(=O)(=O)N1CCNCC1 50016024 FZYJOBLMZVYJGM-UHFFFAOYSA-N 300.340 -0.166 5 10 DBBE COc1ccc(S(=O)(=O)NC(CO)CO)cc1[N+](=O)[O-] 87752546 SBGOHIUUPJDGQH-UHFFFAOYSA-N 306.296 -0.765 5 10 DBBE C[C@@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 90276920 PODREMXTQRRGBU-SECBINFHSA-N 305.268 -0.896 5 10 DBBE CC(C)CCS(=O)(=O)NC(=O)Cn1cnc([N+](=O)[O-])n1 732513399 RALBKZARIMEVJF-UHFFFAOYSA-N 305.316 -0.322 5 10 DBBE CC(C)(C(=O)O[C@H]1CCC(=O)NC1=O)n1cc([N+](=O)[O-])cn1 798608841 CHLDEKZBQGYSFZ-QMMMGPOBSA-N 310.266 -0.125 5 10 DBBE C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 849388748 WAJDKPIKVADXEL-MRVPVSSYSA-N 314.323 -0.159 5 10 DBBE CC(C)CN(Cc1nn[nH]n1)C(=O)Cn1cc([N+](=O)[O-])cn1 1153807254 KKZRQAGEMYEUST-UHFFFAOYSA-N 308.302 -0.011 5 10 DBBE CCN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cnn[nH]1 1268461381 QOGPGTMGXGLMDO-UHFFFAOYSA-N 322.329 -0.302 5 10 DBBE CN(CCS(C)(=O)=O)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1292746026 JSWLPSVDVYBYCK-UHFFFAOYSA-N 317.323 -0.741 5 10 DBBE C[C@@H](NC(=O)C(=O)N[C@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 1328823158 LRNYWOORDWUZCI-KCJUWKMLSA-N 320.305 -0.223 5 10 DBBE COC(=O)C1(O)CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1341604304 HPAWRTBJHADSEU-UHFFFAOYSA-N 312.282 -0.532 5 10 DBBE CCn1nccc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1358657836 YOIGEQMSIDZSAK-MWLCHTKSSA-N 321.337 -0.053 5 10 DBBE NC(=O)CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 1588198915 IMRGMWBWCOFJEN-UHFFFAOYSA-N 310.285 -0.023 5 10 DBBE CC(=O)N(C)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1597895293 YUXLWROBJFEXEH-UHFFFAOYSA-N 310.314 -0.344 5 10 DBBE CN1CCC(ONC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1627403743 MDIMBIXGSKUYMB-UHFFFAOYSA-N 310.310 -0.102 5 10 DBBE O=C1NC(=O)C2(CN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)C2)N1 1655948060 DQUBBVICNIAAGS-UHFFFAOYSA-N 302.250 -0.131 5 10 DBBE CC(C)N(C)C(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1714965379 VVIBRJYNRUENME-VXGBXAGGSA-N 312.370 -0.434 5 10 DBBE CN=c1[nH]c(C)c([N+](=O)[O-])c(=NCCN=S(C)(C)=O)[nH]1 1913500460 AYHKXMNHCZNGOC-UHFFFAOYSA-N 302.360 -0.282 5 10 DBBE N[C@@H]1CC[C@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1998383620 GBKOEKBWONDYLV-NFNCENRGSA-N 306.076 -0.150 5 10 DBBE NC1(CNS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)COC1 2151382753 DMYKETLRWITNDK-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE CN=c1[nH]c(N[C@H](C)C2CS(=O)(=O)C2)ncc1[N+](=O)[O-] 2157674498 QUCMYBBBLOGXQT-ZCFIWIBFSA-N 301.328 -0.307 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](O)[C@H](O)C2)c1 2188680290 LMKXVXIFPZSRTI-WDEREUQCSA-N 302.308 -0.289 5 10 DBBE Cc1cc(=N[C@H]2CNC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])c[nH]1 2192656424 KQEVLQHWTLFBCX-GXSJLCMTSA-N 300.340 -0.483 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 20000772 IDBBHWYWKNWXNN-HZGVNTEJSA-N 304.280 -0.293 5 10 DBBE O=C(NCC(=O)N1CCOCC1)c1cc(O)ccc1[N+](=O)[O-] 318805999 SVWHEHMIHCBRMB-UHFFFAOYSA-N 309.278 -0.111 5 10 DBBE CCN(CC)CC[C@@H](CO)NC(=O)Cn1cnc([N+](=O)[O-])n1 578377148 GRWNLTLCZAADNH-JTQLQIEISA-N 314.346 -0.605 5 10 DBBE Nc1ncc([N+](=O)[O-])c(N2CCC(S(N)(=O)=O)CC2)n1 707415810 MXIOMIFCXHFCOU-UHFFFAOYSA-N 302.316 -0.776 5 10 DBBE Cn1nncc1S(=O)(=O)NC(=O)c1ccc([N+](=O)[O-])cc1 781739681 GUDGYBSNAHPKLT-UHFFFAOYSA-N 311.279 -0.158 5 10 DBBE CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC(S(N)(=O)=O)C1 1299240108 WMFZWIVQCKGEKQ-UHFFFAOYSA-N 314.323 -0.251 5 10 DBBE C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CCN1S(C)(=O)=O 1472744631 ZDMZNOIFNALLFL-QMMMGPOBSA-N 303.344 -0.202 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2C(=O)CNC2=O)n1 1537733281 NTSYLYWHJADOAE-UHFFFAOYSA-N 324.297 -0.517 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](CO)CN1CCCC1 1569932632 WWZRUHFBBDOCTE-NSHDSACASA-N 311.342 -0.327 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCCS(=O)(=O)C1CC1 1583894705 HHRVWOPUANMZCQ-UHFFFAOYSA-N 316.339 -0.207 5 10 DBBE Nc1nccc2c1CN(C(=O)Cn1cnc([N+](=O)[O-])n1)CC2 1586738199 RQBSDNQRUOMHRV-UHFFFAOYSA-N 303.282 -0.252 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2nnc(O)cc2C1 1634526900 UBTZLDOGEOGVAD-UHFFFAOYSA-N 305.254 -0.733 5 10 DBBE COC(=O)[C@@H](O)CCNC(=O)Cn1c([N+](=O)[O-])cnc1C 1637849347 WMBOXKHNZQLHGW-QMMMGPOBSA-N 300.271 -0.860 5 10 DBBE CCN(C(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1713158671 DAJRSNRSDHFAFR-FPQZTECRSA-N 324.381 -0.101 5 10 DBBE COCc1noc(CNCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1714704247 QISAKYHFYYEKKA-RKDXNWHRSA-N 313.314 -0.571 5 10 DBBE Cc1cnn(C)c1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758428795 CAHNYEHZGOAEKZ-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE Cn1cc(C(=O)N2CC[C@](F)(C(N)=O)C2)cc([N+](=O)[O-])c1=O 1889735466 IIZUACXFHRLQEO-GFCCVEGCSA-N 312.257 -0.667 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CONC1=O 2148983100 XTAHUNBPZVFIIO-MRVPVSSYSA-N 301.280 -0.388 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1[nH]c(=N)ccc1[N+](=O)[O-] 2192658222 LOOOFYXNQSACCA-HTRCEHHLSA-N 301.328 -0.801 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1Nc1nccc(N)c1[N+](=O)[O-] 2207471055 OIDYHSHPGOSDRL-SFYZADRCSA-N 302.312 -0.204 5 10 DBBE C[C@H](O)[C@@H](N)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 312567723 LFFGNZNQNLAOKF-XPUUQOCRSA-N 307.303 -0.280 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCNCC2)nc1 595104060 DMEWOPRONTYEBA-UHFFFAOYSA-N 315.355 -0.827 5 10 DBBE C[C@@H](O)[C@H](O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 717414337 IJWFVPJWLNVNBR-LHLIQPBNSA-N 306.296 -0.680 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@]2(CNC(=O)C2)C1 1116859517 KHYJLQRCRNORHD-ZDUSSCGKSA-N 307.310 -0.162 5 10 DBBE CS(=O)(=O)NC[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 1175954955 GIKSPACHLYVDTF-JTQLQIEISA-N 317.371 -0.338 5 10 DBBE COC(=O)[C@@H]1COCCN1C(=O)Cn1c([N+](=O)[O-])cnc1C 1435370121 NSHZCKDCXFJDBL-VIFPVBQESA-N 312.282 -0.500 5 10 DBBE Cc1nc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 1583325085 IZRXTTHHJQXSGZ-UHFFFAOYSA-N 320.313 -0.433 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 1642889892 VVXTWTGKHXRMET-LDYMZIIASA-N 312.282 -0.514 5 10 DBBE N[C@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 2144798559 JPIPAIHHURBJSV-SECBINFHSA-N 303.296 -0.325 5 10 DBBE C[C@@H](CN=c1nc(N(C)C)c([N+](=O)[O-])c[nH]1)S(C)(=O)=O 2157675194 UCZBLXMUIGKVGO-ZETCQYMHSA-N 303.344 -0.282 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H](O)C2)cc1 2161390969 LSBSLMCSQRULNG-NXEZZACHSA-N 302.308 -0.289 5 10 DBBE CN=c1[nH]c(N[C@@H]2C[P@](C)(=O)C[C@@H]2O)ncc1[N+](=O)[O-] 2177839160 NEDCFZVXZOJXAE-KXCWDCKNSA-N 301.243 -0.004 5 10 DBBE NC[C@@H](CO)NS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235873983 SFPSDIRSBHZDMR-YFKPBYRVSA-N 311.266 -0.529 5 10 DBBE CNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCNC(N)=O)c1 124436440 ZQUZKXWGVJDFOW-UHFFFAOYSA-N 317.327 -0.417 5 10 DBBE COC(=O)[C@](C)(O)Cn1nc([N+](=O)[O-])nc1Br 231801117 KLQGWPYRPBCSSH-SSDOTTSWSA-N 309.076 -0.127 5 10 DBBE C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@](O)(C(N)=O)C1 276461549 OQUNZRVLZUMLOS-LKFCYVNXSA-N 322.321 -0.156 5 10 DBBE C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1NN)[S@@](C)=O 312199179 BSLTUQUQEXMGIJ-SXPOAWKSSA-N 301.328 -0.228 5 10 DBBE C[C@@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CN1 599105752 QBGOFADZQPBFQB-HTQZYQBOSA-N 303.344 -0.253 5 10 DBBE Nc1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)cc1[N+](=O)[O-] 773384719 QYRVGJMXYZPCGT-LLVKDONJSA-N 324.337 -0.400 5 10 DBBE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839755350 HYXFFURPSCMWLB-ZYUZMQFOSA-N 305.356 -0.514 5 10 DBBE COc1cncc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1274014669 BLJQAIZHWLDWKU-JDEDCZITSA-N 321.337 -0.088 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)n1 1302876549 HAUWQFVQPBWRAQ-MWLCHTKSSA-N 323.309 -0.552 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)C[C@@H]2CCCO2)n1 1320083756 UFIVWTXWSODWPH-ZETCQYMHSA-N 318.311 -0.433 5 10 DBBE CCN(C)CCC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357217300 ZEWUTPUXNLFDKX-VXGBXAGGSA-N 314.386 -0.090 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]2C1=O 1471200194 BCYKKCXPZHUHPF-PHIMTYICSA-N 319.273 -0.013 5 10 DBBE NS(=O)(=O)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 1620634880 XSFWYPYDDLWIOV-VIFPVBQESA-N 303.344 -0.598 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccnn1C 1704275633 JFBXQBWUJDDBMK-MWLCHTKSSA-N 309.326 -0.336 5 10 DBBE CN=c1[nH]c(N[C@H]2C[C@H](S(C)(=O)=O)C2)ncc1[N+](=O)[O-] 2157680985 WHQIBQKAWJIKEE-LJGSYFOKSA-N 301.328 -0.164 5 10 DBBE O=[N+]([O-])c1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2O)c(F)c1 2176896953 FYPXBUPQQPRPJG-GHMZBOCLSA-N 304.299 -0.019 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1N1CC[C@@](O)(CO)[C@H](O)C1 2234100841 NEIWWFKCOUAZIY-LDYMZIIASA-N 303.702 -0.062 5 10 DBBE NC(CO)(CO)CNc1ncc([N+](=O)[O-])cc1Br 2258281171 JTAIXMSMLVJJQK-UHFFFAOYSA-N 321.131 -0.154 5 10 DBBE C[C@@H](O)C(=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 346823063 KEDSKTXHQZQIKQ-SECBINFHSA-N 323.305 -0.034 5 10 DBBE NC(=O)CC1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC1 443786588 HXIPTNOECVEYNT-UHFFFAOYSA-N 308.294 -0.329 5 10 DBBE CS(=O)(=O)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593605236 QMENDNXPYNMRAO-UHFFFAOYSA-N 321.336 -0.593 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H](O)[C@H]1CCCO1 599391963 NSDGEGMNTWRXQM-DTWKUNHWSA-N 317.323 -0.192 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cn(C)c(=O)n(C)c1=O 610231112 BSBKUPZXWJOTTF-UHFFFAOYSA-N 307.266 -0.417 5 10 DBBE CCN1CC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O 619800945 XHKYJLDZDNZGTC-SNVBAGLBSA-N 310.314 -0.289 5 10 DBBE CS(C)(=O)=NS(=O)(=O)CCN=c1cc[nH]cc1[N+](=O)[O-] 1307212515 LBTGRAZSRFJKOZ-UHFFFAOYSA-N 322.368 -0.119 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCC(=O)NCc2ccco2)n1 1341390911 OBWIIISNWMAWAF-UHFFFAOYSA-N 307.266 -0.033 5 10 DBBE O=C(CC1(O)CCC1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1506044278 UFLUXDGDBLEUFY-NXEZZACHSA-N 311.338 -0.278 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccnc1OCCO 1545545582 ZTIBHYGVDPWXDS-UHFFFAOYSA-N 321.293 -0.013 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](CO)CN1CCCCC1 1556565446 ODOCBKMQFGYLGQ-SNVBAGLBSA-N 312.330 -0.851 5 10 DBBE CS(=O)(=O)C[C@H]1CN(c2ccnc(O)c2[N+](=O)[O-])CCO1 1559291914 VFVGUVHWSRYOIV-MRVPVSSYSA-N 317.323 -0.055 5 10 DBBE CN1CCC[C@H](n2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)C1=O 2157369422 NRSPJXKUZDDRSM-LURJTMIESA-N 303.300 -0.768 5 10 DBBE C[C@@H](C[C@H]1CCCS1(=O)=O)N=c1nc([N+](=O)[O-])[nH]n1C 2159180611 MFFZILXTNZKYPY-JGVFFNPUSA-N 303.344 -0.087 5 10 DBBE CO[C@H]1COC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 2177282558 HKWNBBNEBSTGGA-VDTYLAMSSA-N 323.352 -0.069 5 10 DBBE O=C1NC[C@H](CNS(=O)(=O)c2cncc([N+](=O)[O-])c2)O1 2186495774 KPALWHFTEPYVAS-SSDOTTSWSA-N 302.268 -0.624 5 10 DBBE CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC([N+](=O)[O-])C1 2191536306 PWAZZCBIMFOTKL-UHFFFAOYSA-N 304.284 -0.764 5 10 DBBE NNc1sc(S(=O)(=O)N2CCOCCO2)cc1[N+](=O)[O-] 2198532317 NEXPBYNEVZPFLE-UHFFFAOYSA-N 324.340 -0.106 5 10 DBBE Cc1c([N+](=O)[O-])c(=N[C@@H](C)CS(=O)(=O)N(C)C)[nH]n1C 2207489535 QNCACBJDRCTECQ-ZETCQYMHSA-N 305.360 -0.250 5 10 DBBE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ncnc(Cl)c1[N+](=O)[O-] 2234068326 OVSYCFRJGGJALM-CHKWXVPMSA-N 304.690 -0.405 5 10 DBBE O=Cc1cc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])s1 2289402521 IEGSUQVSVBCMKD-JUWDTYFHSA-N 302.308 -0.381 5 10 DBBE CS(=O)(=O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)O 20004296 QCRRROSQQFNKMR-LURJTMIESA-N 320.279 -0.195 5 10 DBBE CNC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1 51448942 WQQYPAPZZUEPIN-UHFFFAOYSA-N 302.312 -0.339 5 10 DBBE NNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N1CC[C@H](O)C1 61712753 ZWBBEOVQHQJGKV-ZETCQYMHSA-N 320.302 -0.225 5 10 DBBE O=C(O)COCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 93228478 QFTLFVCCCLIQQH-UHFFFAOYSA-N 320.279 -0.320 5 10 DBBE NNc1ccc(Cl)c(Cn2cc([N+](=O)[O-])c(=O)[nH]c2=O)n1 111545511 DUAJBUQELSVBNI-UHFFFAOYSA-N 312.673 -0.173 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 158491031 HUWQOKIGZSWVOT-LJQANCHMSA-N 322.368 -0.463 5 10 DBBE Nc1sc(S(=O)(=O)N[C@H]2COC[C@H]2O)cc1[N+](=O)[O-] 323302180 OEGQXANULMOOMX-UJURSFKZSA-N 309.325 -0.724 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1 323383739 PYFCSHYVZHWWLN-RKDXNWHRSA-N 306.271 -0.228 5 10 DBBE CN(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1=O 593234756 JHDHQQUGJSZIDU-UHFFFAOYSA-N 323.353 -0.221 5 10 DBBE O=C(NC[C@]1(OCCO)CCOC1)c1ccc([N+](=O)[O-])cn1 597993202 DIADNKACBLHCDR-CYBMUJFWSA-N 311.294 -0.112 5 10 DBBE CN(C)S(=O)(=O)N1CC(Nc2ncc([N+](=O)[O-])s2)C1 599185893 VWCLFGXZHJLPJN-UHFFFAOYSA-N 307.357 -0.046 5 10 DBBE CN1C[C@@H]2CCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])[C@@H]2C1 599312781 WVICXWYIFLQROO-DTWKUNHWSA-N 315.355 -0.347 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)c1cc([N+](=O)[O-])cnc1O 719409496 LHIPCPSSROFCSD-UHFFFAOYSA-N 304.284 -0.944 5 10 DBBE N[C@H]1CCOC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 721961766 MFGAPYUDONXCSU-IUCAKERBSA-N 301.324 -0.011 5 10 DBBE CCOCCS(=O)(=O)NC(=O)c1nn(CC)cc1[N+](=O)[O-] 755780700 XGKMFNQTQAKUOM-UHFFFAOYSA-N 320.327 -0.093 5 10 DBBE CO[C@]12CCC[C@@]1(NC(=O)Cn1cnc([N+](=O)[O-])n1)CCO2 1133397281 DBQUHQHSYQJRMV-NEPJUHHUSA-N 311.298 -0.012 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC2(C1)OCCO2 1292795645 FGUOIARGXXPDLI-UHFFFAOYSA-N 309.278 -0.268 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC2(COC2)C1 1328469598 YDLJPRWLTYYPNK-UHFFFAOYSA-N 323.309 -0.844 5 10 DBBE Cc1nn(C)cc1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1577025006 RZKHPYIRUUHTBR-ZYHUDNBSSA-N 323.353 -0.028 5 10 DBBE CNC(=O)[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1633421147 MBEWXSWQCOPDAF-JTQLQIEISA-N 322.321 -0.259 5 10 DBBE Cc1nc(NN)nc(NC2(C)CS(=O)(=O)C2)c1[N+](=O)[O-] 1918418116 AODWUWFFYAPBSU-UHFFFAOYSA-N 302.316 -0.422 5 10 DBBE NS(=O)(=O)c1cn(CCS[C@H]2CCOC2)nc1[N+](=O)[O-] 2149128242 VVPBPVDSNHLUOF-ZETCQYMHSA-N 322.368 -0.039 5 10 DBBE NC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)C1 2162600682 TWABGDKULIZOPV-UHFFFAOYSA-N 301.280 -0.375 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1C[C@H](O)C[C@H]1O 2164975059 AZTOQAKPUZODNE-QXFUBDJGSA-N 302.308 -0.243 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CO)[C@@H](C)O 2174124067 RJYGBDUQZASGAC-SCZZXKLOSA-N 304.324 -0.077 5 10 DBBE O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)c1csc([N+](=O)[O-])c1 2177861696 WSYUILGRSKVDDI-PXMQNUKVSA-N 302.308 -0.511 5 10 DBBE NNc1ccc([N+](=O)[O-])c(NCC2(O)CS(=O)(=O)C2)c1 2283086716 WULXWNSTGKQPAO-UHFFFAOYSA-N 302.312 -0.548 5 10 DBBE O=C1CC[C@H](CNS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)N1 79934226 KFHNIAKNZVGFHB-SSDOTTSWSA-N 315.307 -0.143 5 10 DBBE CCOC(=O)c1cn(C)nc1NC(=O)c1nn(C)cc1[N+](=O)[O-] 342641857 BFBLAHVRGZPHJQ-UHFFFAOYSA-N 322.281 0.491 5 10 DBBE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 347404798 XDPBPCUJTSGGTE-VIFPVBQESA-N 323.309 -0.610 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(F)c1)C(=O)O 691718812 YCGMYJJGKJEPKE-ZETCQYMHSA-N 307.259 -0.113 5 10 DBBE CN(CCNC(=O)Cn1cnnn1)Cc1ccccc1[N+](=O)[O-] 1266255610 XDNKDFDXJLUBNQ-UHFFFAOYSA-N 319.325 -0.171 5 10 DBBE CNC(=O)[C@H](CCSC)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1324112468 PPJJKYCFIRKLGE-ZETCQYMHSA-N 315.355 -0.074 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCS(=O)(=O)C1 1524218862 HKUWHOIGOUEDQK-MRVPVSSYSA-N 317.327 -0.873 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cncnc1 1582943897 FODCVCUHWUOHQJ-GHMZBOCLSA-N 307.310 -0.328 5 10 DBBE C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1S(C)(=O)=O 1614908208 RYVFLPWBPZXTHV-SECBINFHSA-N 317.371 -0.206 5 10 DBBE Cc1cc(NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n2ncnc2n1 1629194995 IZNKQAJTHDMLCG-RKDXNWHRSA-N 305.298 -0.374 5 10 DBBE CN1C[C@H](C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)NC1=O 1632080948 QDFKWUORQKGILK-BXUZGUMPSA-N 322.321 -0.058 5 10 DBBE Cn1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1=O 1699255393 MFXFIENGEZZWHP-LLGAQUFESA-N 320.349 -0.188 5 10 DBBE O=C(CCc1cnc[nH]1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1745882963 WOQDEOFTOCPFCD-GHMZBOCLSA-N 307.310 -0.666 5 10 DBBE Cc1cnn(CC(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1747113890 YQUASNGYRJZECF-JDEDCZITSA-N 321.337 -0.355 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2COC[C@H]2CO)c1 2146504396 LTYJGVYKSQMZIZ-KCJUWKMLSA-N 302.308 -0.120 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCN)CCO 2152160238 CENLHCGPPHPPSG-UHFFFAOYSA-N 303.340 -0.155 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC([C@H](F)CO)C2)cn1 2166896977 TTXWXDYDKCFIAK-SECBINFHSA-N 305.287 -0.059 5 10 DBBE Cn1ncc(Cl)c1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2168232353 VBRJARFDWWCQPH-UHFFFAOYSA-N 320.718 -0.126 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1cc([N+](=O)[O-])cc(F)n1 2192657062 MRSMJGKCLAXNOM-SFYZADRCSA-N 304.303 -0.074 5 10 DBBE CS[C@@H]1CNC[C@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2205583965 TXRGNSVBAYPRPR-NXEZZACHSA-N 318.380 -0.029 5 10 DBBE CO[C@@H]1[C@@H](O)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2286721478 ZXSSXFMRZXXBKR-WEDXCCLWSA-N 303.296 -0.584 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN)C(N)=O 35796770 CGXHMBHQSZLSDJ-RXMQYKEDSA-N 303.300 -0.968 5 10 DBBE CN(C[C@H](O)CN)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 313123592 CPBNANGMUGLFJE-SSDOTTSWSA-N 307.303 -0.326 5 10 DBBE COC(=O)[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccn(C)n1 348038237 RYDUCWYNRSOGSM-LLVKDONJSA-N 322.281 -0.445 5 10 DBBE COC(=O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1C 537721814 PIWAMYASBMUECW-UHFFFAOYSA-N 309.278 -0.078 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCOCC(F)F)n1 599289810 XIKSDYOUNCXWRA-UHFFFAOYSA-N 314.270 -0.112 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnnn1C 1267314324 NICDKJSLCSTAAJ-NXEZZACHSA-N 311.346 -0.797 5 10 DBBE CCCN(C)CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1286010727 KEFSWEMSQYFFDT-VXGBXAGGSA-N 312.370 -0.337 5 10 DBBE Cn1cnnc1[C@H](CO)NC(=O)CNc1ccccc1[N+](=O)[O-] 1301184055 XOXBNJBGVQNIBD-JTQLQIEISA-N 320.309 -0.015 5 10 DBBE CNC(=O)CN(CCOc1ccc([N+](=O)[O-])cc1)CC(=O)NC 1308050795 PIYXVGVDVZYTFR-UHFFFAOYSA-N 324.337 -0.232 5 10 DBBE CCN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1nc[nH]n1 1497467707 CNUYHPAOYQBSKF-UHFFFAOYSA-N 322.329 -0.302 5 10 DBBE CC(=O)N1C[C@H]2CN(C(=O)c3c([N+](=O)[O-])cnn3C)C[C@H]2C1 1558120252 VBBAFCBISWPANX-AOOOYVTPSA-N 307.310 -0.121 5 10 DBBE CC(C)C[C@@H](C(N)=O)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 1620530312 VAZHEIJFYTWRTJ-RYUDHWBXSA-N 313.358 -0.016 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CCCO)n1 1636199637 PUGAXVIROCILHO-SNVBAGLBSA-N 311.342 -0.095 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncn(C)n1 1721208923 CNDCWYUHANJYKB-NXEZZACHSA-N 324.341 -0.551 5 10 DBBE O=C(O)CNC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1859456683 ZHNJZIUOUYYSFB-UHFFFAOYSA-N 321.245 -0.218 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=NCC(=O)NCc2ccccc2)[nH]1 1981875118 GWIINXBQYYBSIQ-UHFFFAOYSA-N 316.321 -0.001 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2CO)cc1 2146503868 IYFHTSALNLDMHC-GZMMTYOYSA-N 302.308 -0.120 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1N=c1[nH]c(Cl)ncc1[N+](=O)[O-] 2192681142 ZVPCEWVXINVBJH-CAHLUQPWSA-N 321.746 -0.743 5 10 DBBE Cn1c(O)nnc1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2199720542 YZFSKBZOOSSCDG-UHFFFAOYSA-N 300.256 -0.375 5 10 DBBE CC(=O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@H](O)[C@H]2CO)s1 2201039040 YQSUJDXDVBLWHO-KHQFGBGNSA-N 302.308 -0.238 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NCCCS(=O)(=O)C(F)(F)F 2286437151 QELSZVFONXUPOJ-UHFFFAOYSA-N 317.249 -0.118 5 10 DBBE CO[C@H](CCS(C)(=O)=O)CN=c1nc([N+](=O)[O-])[nH]n1C 2364228482 NBFNTBIQEWDCHA-SSDOTTSWSA-N 307.332 -0.993 5 10 DBBE CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 36265014 UTDYZHLLCWSVLC-WPRPVWTQSA-N 301.324 -0.140 5 10 DBBE NCc1ccc(O[C@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1 37700897 KJQMZOCXYHHTFH-KOLCDFICSA-N 302.308 -0.410 5 10 DBBE CNC(=O)CN1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 365897674 XWXLOIIZWXBHOA-UHFFFAOYSA-N 309.330 -0.775 5 10 DBBE C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593552257 KFVAHKJFSVXVBV-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE COC[C@@H](O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593570581 ZZZPYYWMADMMLD-VIFPVBQESA-N 305.312 -0.335 5 10 DBBE O=C(NCCCN1CCCS1(=O)=O)c1n[nH]cc1[N+](=O)[O-] 611202759 KOOMNJWUBUYYNH-UHFFFAOYSA-N 317.327 -0.527 5 10 DBBE CNc1ncc([N+](=O)[O-])c(N2CC(NS(C)(=O)=O)C2)n1 703119603 ALGGGAHORVEKCJ-UHFFFAOYSA-N 302.316 -0.836 5 10 DBBE C[C@H](O)[C@H](O)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 717413613 FHRUYCHHWQTRHP-QUBYGPBYSA-N 308.287 -0.246 5 10 DBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1C[C@H](O)[C@H](O)C1 1155976606 APJQUIZIINUOIE-CGJHYDBRSA-N 320.305 -0.055 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)Cn1ccnn1 1299096980 UWWYAVSJQSTFDK-LLVKDONJSA-N 321.293 -0.258 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1c1nn[nH]n1 1302138069 WCNZHIHKURAKPD-SECBINFHSA-N 307.270 -0.340 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC(N[C@@H]2CCOC2)C1 1304083162 BRIGJJASKXWCQR-SNVBAGLBSA-N 322.321 -0.654 5 10 DBBE CCS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1458802924 RSCJPIYKVKYUTH-GHMZBOCLSA-N 319.383 -0.171 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c(nnn3C)C2)n1 1530464618 RVDDZFCAZLRZCV-SSDOTTSWSA-N 305.298 -0.256 5 10 DBBE COC(=O)[C@]1(O)CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 1559028040 XXZJGHOMURNFPT-LBPRGKRZSA-N 312.282 -0.613 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCN)CCN 2152186930 NJODTSDACVFCCB-UHFFFAOYSA-N 302.356 -0.189 5 10 DBBE CN=c1[nH]c(N(C)[C@H](C)CS(C)(=O)=O)ncc1[N+](=O)[O-] 2157679491 AMLUXIFAGTWZMT-SSDOTTSWSA-N 303.344 -0.282 5 10 DBBE C[C@H](CCS(C)(=O)=O)N=c1cc([N+](=O)[O-])cc(NN)[nH]1 2160750681 MJZLCSQZMNGEBM-SSDOTTSWSA-N 303.344 -0.068 5 10 DBBE CN(C)S(=O)(=O)C1CN(c2nc(F)ncc2[N+](=O)[O-])C1 2187305792 QERDPZQSAVVOCW-UHFFFAOYSA-N 305.291 -0.396 5 10 DBBE O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1NC[C@H](O)[C@H]1O 2201149032 KNZWRRXFHMBDTJ-IVZWLZJFSA-N 301.686 -0.120 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)CC1 50671276 KERGWQISGPOMEK-UHFFFAOYSA-N 319.364 -0.070 5 10 DBBE NNc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1[N+](=O)[O-] 131586588 MLHWZMRUPHUNGK-ZETCQYMHSA-N 302.312 -0.052 5 10 DBBE CNc1cc(C(=O)NCCS(C)(=O)=O)c([N+](=O)[O-])cn1 234499926 XEPGHEQAHBBKFI-UHFFFAOYSA-N 302.312 -0.194 5 10 DBBE CO[C@@H]1C[C@H](C(=O)O)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 262102763 FOYGVYAFDUYHFG-NXEZZACHSA-N 312.282 -0.118 5 10 DBBE CN(C(=O)CN1CC[C@](O)(C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 276506497 YVUWLHSMIDXLNL-CQSZACIVSA-N 322.321 -0.520 5 10 DBBE NNc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnns1 313657622 KLYBXFVESNSCGZ-UHFFFAOYSA-N 317.312 -0.072 5 10 DBBE O=C(C[C@H]1C=CS(=O)(=O)C1)NCCn1cc([N+](=O)[O-])cn1 1127068312 IPSRHZHZQQWBOY-SECBINFHSA-N 314.323 -0.144 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@]1(CCO)CCOC1 1139239415 PJVZTBQJAWULCT-CYBMUJFWSA-N 311.294 -0.586 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](O)(C(=O)OC)C2)n1 1175861939 KQGKWISITSOFRO-LBPRGKRZSA-N 312.282 -0.439 5 10 DBBE CNC(=O)[C@H](CO)Nc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12 1186061734 MFIYIQBNPWAORU-VIFPVBQESA-N 320.305 -0.035 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCC(=O)N=S(C)(C)=O)n1 1299745921 MIWGRVHZHYCTBX-UHFFFAOYSA-N 303.300 -0.688 5 10 DBBE CCOc1cc(N2CC(NS(N)(=O)=O)C2)ccc1[N+](=O)[O-] 1307187923 QYKRVYBIPOJXAV-UHFFFAOYSA-N 316.339 -0.025 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)n1 1328639289 NUDIUCDEDVXBPS-ZETCQYMHSA-N 317.327 -0.908 5 10 DBBE C[C@@H]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CS1(=O)=O 1328811900 QIIPGXAXULVCEQ-HTQZYQBOSA-N 317.327 -0.732 5 10 DBBE C[C@H](C[S@](C)=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334958358 UEOLCCKJENBAIR-DMWPKQFHSA-N 310.357 -0.626 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[C@@H]1C=NNC1=O 1470579878 OSTCCFGNJBMVEF-SECBINFHSA-N 308.298 -0.272 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 1636871434 QIFZHXYNWRVTNH-SECBINFHSA-N 307.372 -0.028 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)n1 1648402184 KEMULJGMTLUCGK-WDEREUQCSA-N 323.353 -0.001 5 10 DBBE CN(CCNC(=O)c1ncc[nH]1)Cc1c([N+](=O)[O-])ncn1C 1731768389 GVHFUVHOEFQYSJ-UHFFFAOYSA-N 307.314 -0.087 5 10 DBBE CCN(C)CCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1759922239 RWKBKHUAKFMYGH-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE Cn1c(C(=O)OCCN2CCOCCC2=O)cnc1[N+](=O)[O-] 1849174107 TVCGTTCCDNFUSG-UHFFFAOYSA-N 312.282 -0.266 5 10 DBBE CCN=c1[nH]cc([N+](=O)[O-])c(=NC[C@H]2CCS2(=O)=O)[nH]1 2150733669 NWDZUOOYUJOROF-SSDOTTSWSA-N 301.328 -0.741 5 10 DBBE C[P@]1(=O)C[C@@H](O)[C@H](N=c2[nH]c(NN)ncc2[N+](=O)[O-])C1 2177954406 IUBKIQLTWPTTMP-SNVWRWFYSA-N 302.231 -0.760 5 10 DBBE O=[N+]([O-])c1cnc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(Cl)c1 2289412586 PFCOUYLCJDMYFT-UASFKTIASA-N 303.702 -0.207 5 10 DBBE C[C@H](O)CNCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 132373611 UENVDXIEDGMQBP-QMMMGPOBSA-N 318.355 -0.376 5 10 DBBE COCCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 164534604 MNVFPSMSANNYMT-UHFFFAOYSA-N 305.312 -0.381 5 10 DBBE CNS(=O)(=O)CCNC(=O)c1cccc(N)c1[N+](=O)[O-] 231026611 WJCPKTGLHBJSSE-UHFFFAOYSA-N 302.312 -0.544 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 265232569 CGKMRJFQHQCYHB-ZETCQYMHSA-N 302.312 -0.313 5 10 DBBE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 592875065 VSERZYUTYWWTES-QMMMGPOBSA-N 310.314 -0.490 5 10 DBBE C[C@H](O)[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCO1 594784048 ZPSREHKHFGEPQV-WPRPVWTQSA-N 317.323 -0.240 5 10 DBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@H](O)C[C@H]1CO 775393457 BYKZEQWZAKAMDV-NWDGAFQWSA-N 320.305 -0.101 5 10 DBBE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC=C(N)N1 1455881383 URKRBTSLKCRKIV-QMMMGPOBSA-N 309.330 -0.026 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@]2(CNC(=O)C2)C1 1538683574 ZIRUSKHYUOFLIK-ZDUSSCGKSA-N 307.310 -0.162 5 10 DBBE COc1cncc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1569400454 PWHAWLRRFQLLOZ-GHMZBOCLSA-N 321.337 -0.111 5 10 DBBE COC(=O)[C@@H](NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C 1641576195 XCDQHJILCAMTCN-MXWKQRLJSA-N 301.343 -0.055 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CCNC1=S 1651530044 CWTAITUNCLCOPT-UHFFFAOYSA-N 310.339 -0.309 5 10 DBBE O=C(CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CC1 1661421591 DPTQFUIRBCZCBS-DDHJBXDOSA-N 310.354 -0.585 5 10 DBBE Cc1ncc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 1689066052 BIHJZVJPNYTYJP-MWLCHTKSSA-N 309.326 -0.086 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1ncc[nH]1 1704276407 RIWKDAWZEIMPHP-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1 2037530369 XYRJYZZRVPHBTM-NAKRPEOUSA-N 316.222 -0.679 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)cc1[N+](=O)[O-] 2092827815 AABVLLSUILFACZ-INEUFUBQSA-N 311.316 -0.058 5 10 DBBE N=c1[nH]cc([N+](=O)[O-])c(=NC[C@H]2CCCS(=O)(=O)C2)[nH]1 2146110838 HGKCRFKZHPTZCP-SSDOTTSWSA-N 301.328 -0.544 5 10 DBBE CC[C@@H](Oc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C(N)=O 216077539 UBMYQXRWMUFJFZ-SSDOTTSWSA-N 303.296 -0.115 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCN1CCOC1=O 263984520 FQKHNYYWULQZMA-UHFFFAOYSA-N 324.293 -0.285 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CNC(=O)C1 313598196 AORDNRLFMCFPRD-ZCFIWIBFSA-N 300.296 -0.656 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 596616049 RKWORUFGYCEFER-NEPJUHHUSA-N 323.305 -0.118 5 10 DBBE CN(c1cnn(C)c1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599245357 SNSSAAOBWPPOSE-UHFFFAOYSA-N 300.300 -0.113 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@@H]2CO)n1 599329205 DIDNTBZSUCNJFM-HTQZYQBOSA-N 304.328 -0.232 5 10 DBBE COC(=O)c1cn([C@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1127792469 QSTBHTZYYGKOQK-QXFUBDJGSA-N 309.282 -0.497 5 10 DBBE COC[C@H]1C[C@@H](O)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1164624883 BZVNVUAYZFXYRQ-NXEZZACHSA-N 311.294 -0.635 5 10 DBBE C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@]2(CCOC2)O1 1325003645 FJYLNWTXZUJLIJ-BXKDBHETSA-N 311.298 -0.407 5 10 DBBE COC(=O)[C@@H]1COCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1465600764 CUDSKZWMQUOQNM-YFKPBYRVSA-N 318.673 -0.015 5 10 DBBE CN(CC(C)(C)CNC(=O)CC(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1571792010 BEACJBMYRHGYNI-RKDXNWHRSA-N 314.342 -0.872 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCO[C@H]3CNC[C@@H]32)cc1 1615977080 NLVDPYSJUVRWQF-RYUDHWBXSA-N 313.335 -0.044 5 10 DBBE CN1CCN(C)[C@@H](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 1628980664 JIDRGWVOYIBQMT-ZETCQYMHSA-N 316.749 -0.053 5 10 DBBE O=C(CCc1cnc[nH]1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1738770906 MMPGXGQOEFDHHT-GHMZBOCLSA-N 321.337 -0.228 5 10 DBBE Cn1cc([N+](=O)[O-])c(=NCCNS(=O)(=O)C(F)(F)F)[nH]1 2159530554 JEHJFWUILYHFKN-UHFFFAOYSA-N 317.249 -0.399 5 10 DBBE C[C@H](CCS(C)(=O)=O)N=c1[nH]c(NN)ncc1[N+](=O)[O-] 2160748240 HELJPIAOZWNKQA-ZCFIWIBFSA-N 304.332 -0.673 5 10 DBBE CNS(=O)(=O)c1ccc(NC[C@H](N)[C@@H](C)O)c([N+](=O)[O-])c1 80741345 OEVBNUDPULTCEI-APPZFPTMSA-N 318.355 -0.377 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nnn[nH]2)cc1F 131206211 JUAKIPGILJUWSI-UHFFFAOYSA-N 302.247 -0.275 5 10 DBBE CN(C)CCN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1=O 593053077 WRFHYGPCFHFHLE-UHFFFAOYSA-N 310.358 -0.503 5 10 DBBE CN(C)C[C@]1(O)CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 619254184 IUEUBHLFEWIARE-CYBMUJFWSA-N 311.342 -0.294 5 10 DBBE CS(=O)(=O)c1cccc(N[C@@H]2CNC[C@@H]2O)c1[N+](=O)[O-] 699926039 SVRLXDPIKZHLRD-BDAKNGLRSA-N 301.324 -0.257 5 10 DBBE C[C@H](O)C1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)C1 719850238 HQJZKGJLYBBEAR-YFKPBYRVSA-N 322.368 -0.057 5 10 DBBE NC(=O)NCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 736108865 FTYNJHKWZZMQHD-UHFFFAOYSA-N 300.246 -0.103 5 10 DBBE COC(=O)c1cc(C(=O)N2C[C@@H](CO)[C@@H](O)C2)cc([N+](=O)[O-])c1 1161337267 YSEDYLOZTQGXTK-JQWIXIFHSA-N 324.289 -0.193 5 10 DBBE CO[C@@H]1CCOC[C@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 1176463500 HYFQPHRCFYXNHN-QJPTWQEYSA-N 300.315 -0.454 5 10 DBBE O=C(NCC(=O)N1CC(CO)C1)NCc1ccc([N+](=O)[O-])cc1 1342915708 KGGQTNWRSAQSSE-UHFFFAOYSA-N 322.321 -0.155 5 10 DBBE Cc1c(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1357162447 DCRHQXNNHDUNGG-ZYHUDNBSSA-N 323.353 -0.076 5 10 DBBE CS(=O)(=O)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1544280826 XTHKAIVIHLRVQZ-SECBINFHSA-N 316.339 -0.316 5 10 DBBE O=C(NCC12COCCN1CCOC2)c1cc([N+](=O)[O-])c[nH]1 1557742185 SPGYKAPXVFDELH-UHFFFAOYSA-N 310.310 -0.246 5 10 DBBE CN1C(=O)CS/C1=C/C(=O)NCCn1cc([N+](=O)[O-])cn1 1622415016 YRLNCCDZNNLAGF-NYYWCZLTSA-N 311.323 -0.046 5 10 DBBE Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC(O)(C(N)=O)C2)c1F 1641919459 RZCCZVQEYYVDDV-UHFFFAOYSA-N 315.232 -0.146 5 10 DBBE CCNC(=O)CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759547236 DEGBPDSHFFVOKC-NXEZZACHSA-N 314.342 -0.905 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CCOC[C@@H]1[C@@H](O)CO 2146323347 KPXFCDHWNCDMFV-ZJUUUORDSA-N 304.324 -0.293 5 10 DBBE CNS(=O)(=O)C1CN(c2cc(NN)ccc2[N+](=O)[O-])C1 2206788864 ACBQDGLSKXFYNP-UHFFFAOYSA-N 301.328 -0.382 5 10 DBBE NC(=O)OCCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 135278876 DIFXPCGBPAWGND-UHFFFAOYSA-N 304.284 -0.449 5 10 DBBE CN(C)C(=O)COC1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 362127684 BLWMMWHPQYIBCO-UHFFFAOYSA-N 323.309 -0.618 5 10 DBBE CC(C)NC(=O)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599208176 XBHLYLMNPIMJME-UHFFFAOYSA-N 319.343 -0.527 5 10 DBBE CC[C@@]1(O)CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599280333 GXWAHCLUGYHQIK-SNVBAGLBSA-N 304.328 -0.136 5 10 DBBE CN1CCOC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 599453477 RTEAXQULYBNZSG-JTQLQIEISA-N 316.339 -0.401 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CS(N)(=O)=O 609623654 TUANWCPLKBAZMY-MRVPVSSYSA-N 316.339 -0.174 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)c1cccc([N+](=O)[O-])c1N 719725243 ZGRSZZVIRZDBDR-UHFFFAOYSA-N 302.312 -0.463 5 10 DBBE COC[C@H](CO)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722288450 AYSPKFACTCRUAR-ZETCQYMHSA-N 305.312 -0.537 5 10 DBBE CO[C@@H](C)CS(=O)(=O)NC(=O)Cn1ccc([N+](=O)[O-])n1 764212156 VMAZKEYBEZKSIL-ZETCQYMHSA-N 306.300 -0.728 5 10 DBBE O=C(CCc1cn[nH]c1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1530778433 XHZSZWFQVPKHLA-VXGBXAGGSA-N 321.337 -0.418 5 10 DBBE NC(=O)C[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1556881103 HMDOVIAPQTYGMA-VIFPVBQESA-N 308.294 -0.520 5 10 DBBE CCOC(=O)[C@H](CO)NC(=O)Cn1c([N+](=O)[O-])cnc1C 1566497276 OXJQTBQZCAWNQJ-QMMMGPOBSA-N 300.271 -0.860 5 10 DBBE N=C(N)NCCC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1N 1866119712 PXMNPYWKVWYXDC-SECBINFHSA-N 309.330 -0.294 5 10 DBBE NNc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 51088928 IBSZZJBXYPEBQL-MRVPVSSYSA-N 314.323 -0.203 5 10 DBBE CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126979098 AOYLHUKHXCLRTG-ZETCQYMHSA-N 316.339 -0.020 5 10 DBBE O=C(NC1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1)C1CC1 189371652 PHCLMDDXXBPJSF-UHFFFAOYSA-N 320.305 -0.507 5 10 DBBE C[C@H](CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[S@](C)=O 253020124 JMXYMFABINCONF-MTTWPYTGSA-N 304.372 -0.101 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1c2ccccc2C[C@H]1O 340237728 VUYUYFWJBCQFIV-ZYHUDNBSSA-N 303.278 -0.039 5 10 DBBE NC(=O)C[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 441512925 RLPVPRBKGYUKRG-PWSUYJOCSA-N 311.342 -0.118 5 10 DBBE NC(=O)CN1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1=O 458053949 TUYGDDVXKDHPRM-UHFFFAOYSA-N 324.268 -0.496 5 10 DBBE O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC(O)(CO)C1 597705885 OYMLVIUKMLUYKX-UHFFFAOYSA-N 318.289 -0.040 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CNC[C@@H]1O 705694807 JSEGGNXDZSAXEG-WPRPVWTQSA-N 301.324 -0.547 5 10 DBBE CN(CCNCc1nnc2n1CCCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1493545464 OMWDOMPFFZNENQ-GHMZBOCLSA-N 322.369 -0.172 5 10 DBBE COC(=O)c1cc(C(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)cc([N+](=O)[O-])c1 1558438844 UDORHDUURBKDRU-YHPBZONMSA-N 324.289 -0.005 5 10 DBBE Cc1[nH]nc(C(=O)NCCC2CS(=O)(=O)C2)c1[N+](=O)[O-] 1616429873 BKERAEIOWADUAU-UHFFFAOYSA-N 302.312 -0.209 5 10 DBBE C[C@]12CN(CCn3ccc([N+](=O)[O-])n3)C[C@]1(C)C(=O)NC2=O 1620487956 KSZFXNDAZGJSIF-CHWSQXEVSA-N 307.310 -0.224 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@](O)(CN(C)C)C1 1644123669 LJVWNCBYMVESMJ-CYBMUJFWSA-N 311.342 -0.375 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN(CCNC(=O)CC(N)=O)C1CC1 1714662316 DLNIPFUCMBIHLW-UHFFFAOYSA-N 324.341 -0.716 5 10 DBBE CCS(=O)(=O)C[C@@H](C)Nc1ncnc(NN)c1[N+](=O)[O-] 2170588477 AFWGJJARUHZICJ-ZCFIWIBFSA-N 304.332 -0.095 5 10 DBBE CN(CCN)S(=O)(=O)NCc1ccc([N+](=O)[O-])cc1F 2176889856 BMXCTIMUAAUOJP-UHFFFAOYSA-N 306.319 -0.041 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NCCS(=O)(=O)C(F)(F)F 2224290736 CLVQDIMZWPAPJU-UHFFFAOYSA-N 303.222 -0.508 5 10 DBBE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ccc([N+](=O)[O-])cn1 2286008989 UVVZNGLXZZVKEV-ZETCQYMHSA-N 304.284 -0.768 5 10 DBBE CS(=O)(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)O 2360530746 LNSNDAKCVAZFBE-YFKPBYRVSA-N 306.252 -0.585 5 10 DBBE CS(=O)(=O)C[C@@H](N)C(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2360559950 FMEYSYWSNSLFHR-SSDOTTSWSA-N 303.296 -0.389 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCNC(=O)C2)c1 87887074 YESDGZLCPHUCOF-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE CCn1cc([N+](=O)[O-])c(=O)n(Cc2nnsc2NC)c1=O 111545491 XQNJQCOJDYVMND-UHFFFAOYSA-N 312.311 -0.120 5 10 DBBE Cn1nnc(NS(=O)(=O)c2ccc(NN)cc2[N+](=O)[O-])n1 127393074 LCTJYMLZBYKGSV-UHFFFAOYSA-N 314.287 -0.795 5 10 DBBE CC(C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O 253680499 DNAWGBOKUFFVMB-LUYRDZSISA-N 315.366 -0.315 5 10 DBBE in-vitro Cc1c(CC(=O)N2CC[C@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] 286895565 XRVPIMXAIJLRAS-CQSZACIVSA-N 307.306 -0.106 5 10 DBBE N[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)O 323497423 CCRLHUXKRXWLRV-LURJTMIESA-N 323.714 -0.062 5 10 DBBE COC[C@@H](C(N)=O)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] 339355049 DCMLYPFNWMGMOQ-NSHDSACASA-N 310.310 -0.035 5 10 DBBE C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C1(S(C)(=O)=O)CC1 342675784 BVKJVTPTXYXMPL-MRVPVSSYSA-N 316.339 -0.127 5 10 DBBE C[C@]1(C(N)=O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593590738 IESZYJOQBWDQTP-NSHDSACASA-N 314.323 -0.124 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NC1CN(c2ccncn2)C1 1302706482 CDIJLNLBFWCHFO-UHFFFAOYSA-N 317.309 -0.024 5 10 DBBE O=C1NC(=O)[C@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@@H]12 1458399372 KZOQZIBKDUUWOT-OCAPTIKFSA-N 309.253 -0.065 5 10 DBBE O=C(NCCN(C(=O)Cn1nccn1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1497436312 GMAXNROSFJAYBU-GHMZBOCLSA-N 322.325 -0.950 5 10 DBBE CCn1c(=O)on(S(=O)(=O)c2ccccc2[N+](=O)[O-])c1=O 1615200323 SUQGKCBHCCUAEJ-UHFFFAOYSA-N 315.263 -0.232 5 10 DBBE CN(C(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)C1CC1 1700131065 QSRQUPNGIQNROF-VXGBXAGGSA-N 324.381 -0.099 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cncn1C 1721705578 CTGZTZOTRHJYRI-VXGBXAGGSA-N 323.353 -0.455 5 10 DBBE Cc1[nH]c(=N)[nH]c(=N[C@@H](C)CCS(C)(=O)=O)c1[N+](=O)[O-] 2160756162 DFUSUWRBZKRAOV-LURJTMIESA-N 303.344 -0.237 5 10 DBBE CNC(=O)[C@H]1CNCCN1c1ncnc(Cl)c1[N+](=O)[O-] 2162816034 AOCISKGUYXEOMK-ZCFIWIBFSA-N 300.706 -0.438 5 10 DBBE COc1ccc(S(=O)(=O)N[C@H](CN)CO)cc1[N+](=O)[O-] 2182585609 GGJVZFJQLVDXHD-SSDOTTSWSA-N 305.312 -0.799 5 10 DBBE NNc1sc(S(=O)(=O)N2C[C@@H]3COC[C@H]32)cc1[N+](=O)[O-] 2186370266 IJUIPHPOWXAOHY-IYSWYEEDSA-N 320.352 -0.039 5 10 DBBE Nc1cc(S(=O)(=O)N2CC([N+](=O)[O-])C2)ccc1[N+](=O)[O-] 2191503419 RVIMFJDATMAXDH-UHFFFAOYSA-N 302.268 -0.173 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CCC2(CO)CO)c1 2194356291 IGYWBTQQHRFNGB-UHFFFAOYSA-N 303.296 -0.892 5 10 DBBE CO[C@@H]1[C@@H](O)C[C@@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2286745499 RJNNPINPTBHROE-GUBZILKMSA-N 303.296 -0.584 5 10 DBBE CC(=O)NCCNS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 126689400 ZSGWIVBHRSVRPQ-UHFFFAOYSA-N 317.327 -0.705 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 136251389 XVKJFSGTONPPLT-LURJTMIESA-N 302.312 -0.281 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](O)CO)sc1Cl 157436082 ONABAZBOGIVUTH-BYPYZUCNSA-N 316.744 -0.059 5 10 DBBE O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cc([N+](=O)[O-])n[nH]1 353645324 GHODBGLBLSLHNM-SECBINFHSA-N 323.309 -0.172 5 10 DBBE CC(=O)NCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593613742 WYCAXQFKTXQTNV-UHFFFAOYSA-N 302.312 -0.254 5 10 DBBE CC(=O)NCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599211363 SUSZGHCMCDNZQW-UHFFFAOYSA-N 305.316 -0.867 5 10 DBBE COc1ccc(CC(=O)N2C[C@H](O)C[C@H]2C(N)=O)cc1[N+](=O)[O-] 600243035 XDVSXKNASPMDQG-KOLCDFICSA-N 323.305 -0.407 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NCC(=O)N=S(C)(C)=O 1142753232 UZBGZNRXQWSCME-UHFFFAOYSA-N 302.312 -0.083 5 10 DBBE CCOCCN1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1281810233 RCOFGLJEGYMPPU-VXGBXAGGSA-N 315.370 -0.369 5 10 DBBE CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1290860530 CFIZEPASASNFHO-OPRDCNLKSA-N 305.356 -0.561 5 10 DBBE O=C(NCC1(O)CN(Cc2cccnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1500834773 WRRMUWZIFFDBPD-VXGBXAGGSA-N 306.322 -0.590 5 10 DBBE CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCN2CCO[C@H]1C2 1534004147 UDFFLRGIZPTDKX-MNOVXSKESA-N 309.326 -0.277 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1 1566142413 XLACFINTZVWWSL-SNVBAGLBSA-N 319.277 -0.326 5 10 DBBE CCN(CCCNC(=O)c1cn(C)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1577531552 KKOHSCFIARKIQR-MWLCHTKSSA-N 324.341 -0.551 5 10 DBBE CC[C@@H](CNS(C)(=O)=O)NC(=O)c1c([N+](=O)[O-])cnn1C 1640968186 CASMGLAFJXKLAR-ZETCQYMHSA-N 319.343 -0.614 5 10 DBBE COC(=O)[C@]1(O)CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 1644435465 WFCBAILZQPWKKF-JTQLQIEISA-N 318.673 -0.279 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](S(N)(=O)=O)C1 1653043851 DRVGNUNEQJJLPN-SNVBAGLBSA-N 317.371 -0.147 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc2n(n1)CCC2 1758930807 OQACOARKIDAHJL-ZYHUDNBSSA-N 321.337 -0.317 5 10 DBBE O=C(Cc1cnoc1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1759889629 JIPMVWSVLLPALV-NXEZZACHSA-N 308.294 -0.353 5 10 DBBE Cc1[nH]c(=NCCNS(N)(=O)=O)c(Cl)cc1[N+](=O)[O-] 2101326997 ATSSBFLWGLQKLR-UHFFFAOYSA-N 309.735 -0.421 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNCCN2CCCS2(=O)=O)n1 2159122288 DOXNLFOELWYUIR-UHFFFAOYSA-N 303.344 -0.547 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N[C@H](C(=O)O)C1CS(=O)(=O)C1 2197523188 CMTMSWGOSIIZDU-LURJTMIESA-N 304.284 -0.762 5 10 DBBE NNc1c(Cl)cc(S(=O)(=O)NCC(N)=O)cc1[N+](=O)[O-] 2232804335 WKPITOBDQRDROL-UHFFFAOYSA-N 323.718 -0.703 5 10 DBBE CC(C)c1ncc([N+](=O)[O-])c(=NCCNS(C)(=O)=O)[nH]1 2281255926 NPNANLWOFKNQQE-UHFFFAOYSA-N 303.344 -0.109 5 10 DBBE COC(=O)[C@@H](N)CS(=O)(=O)Nc1cc([N+](=O)[O-])ccn1 2286009167 VZOJNHIYANYYIH-ZETCQYMHSA-N 304.284 -0.768 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@@H](N)[C@@H](C)O)c([N+](=O)[O-])c1 80739110 RPKILXKUMMCWGX-VXNVDRBHSA-N 319.339 -0.410 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 158491340 AOCOBJMJWMRJOH-LJQANCHMSA-N 322.368 -0.463 5 10 DBBE NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCn1ccnn1 302135128 CXTIDTOLVLKIAR-UHFFFAOYSA-N 312.311 -0.054 5 10 DBBE NS(=O)(=O)C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 350125319 NXPYSZWPQHBDGU-VIFPVBQESA-N 303.344 -0.456 5 10 DBBE C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCN1CCO 580784060 RBDZOMHKBPLAJZ-SECBINFHSA-N 309.326 -0.289 5 10 DBBE C[C@@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CN1 599105757 QBGOFADZQPBFQB-SFYZADRCSA-N 303.344 -0.253 5 10 DBBE NCC1(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCOCC1 599920690 LVRLSFAZPSLOND-UHFFFAOYSA-N 312.330 -0.402 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2CO)cc1 698138028 KASSNDONILSWNI-VHSXEESVSA-N 302.308 -0.289 5 10 DBBE CN1CC[C@@H](C(=O)OCCn2ccc([N+](=O)[O-])n2)S1(=O)=O 830165124 RWSZPFOJZNPNFQ-QMMMGPOBSA-N 318.311 -0.632 5 10 DBBE O=C1C[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CN1 1118381834 NHYZSBWZLACOFJ-SSDOTTSWSA-N 300.296 -0.596 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](O)C[C@]1(C)CO 1167396654 FSSKGXINYOCDLS-GXFFZTMASA-N 312.326 -0.166 5 10 DBBE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1319591623 MAVQFIKTRXRECV-NXEZZACHSA-N 322.321 -0.131 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCS(=O)(=O)CC2CC2)n1 1319896178 NYZANTKUBRKUKJ-UHFFFAOYSA-N 316.339 -0.117 5 10 DBBE CCN(CCCNC(=O)Cc1cnc[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1352395711 KKKQXVJMBSTZAE-VXGBXAGGSA-N 323.353 -0.028 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@]1(C)CCS(=O)(=O)C1 1440902881 OSDDBWNMBRPIEG-SNVBAGLBSA-N 302.312 -0.365 5 10 DBBE CN(CCNC(=O)CCC(C)(C)[N+](=O)[O-])CCS(C)(=O)=O 1455367247 SFSZDCDAOCMUCV-UHFFFAOYSA-N 323.415 -0.086 5 10 DBBE C[C@H](CCS(C)(=O)=O)NC(=O)Cn1cnc([N+](=O)[O-])n1 1533684060 YWKOYRIEIYHPHV-SSDOTTSWSA-N 305.316 -0.874 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCCN2CCO 1558702674 VZIUTOMPIPTFGU-NXEZZACHSA-N 309.326 -0.011 5 10 DBBE COC[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC 1597547608 PKRKUFZQUKPCKH-MNOVXSKESA-N 312.278 -0.068 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(N[C@@H]2CCOC2)C1 1652690404 FIHNUANMIXIBAI-SNVBAGLBSA-N 309.326 -0.311 5 10 DBBE O=C1CN(CCOC(=O)COc2ccccc2[N+](=O)[O-])CCN1 1853337295 MZZAEVNHPCHUIY-UHFFFAOYSA-N 323.305 -0.051 5 10 DBBE O=[N+]([O-])c1nn(C[C@]2(O)CNC[C@H]2O)cc1Br 1951001462 SNNSSKINVXPIDT-HTRCEHHLSA-N 307.104 -0.751 5 10 DBBE CN1[C@H](CN=c2ccc([N+](=O)[O-])c(N)[nH]2)CCS1(=O)=O 2145344427 QJQYSLXTJZDKKK-ZETCQYMHSA-N 301.328 -0.560 5 10 DBBE NC1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])COC1 2151410238 DYNYYNANSXAXJJ-UHFFFAOYSA-N 301.324 -0.258 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@H]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2161133342 RIMIFEJRBXQKCR-JIGDXULJSA-N 301.328 -0.620 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(NN(C)S(C)(=O)=O)n1 2365284557 IKOSLQOSVCDZQM-UHFFFAOYSA-N 304.284 -0.005 5 10 DBBE C[C@@](O)(CO)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 90287561 MMKSVQGHKWINBD-JTQLQIEISA-N 308.287 -0.245 5 10 DBBE CN(C)C(=O)CN1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 135690772 TYESKAMMFXMVQJ-UHFFFAOYSA-N 324.341 -0.446 5 10 DBBE C[C@H](O)CN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 281478528 FVUVBCIPKZOOMF-ZJUUUORDSA-N 311.342 -0.145 5 10 DBBE COC(=O)C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 330645907 GSNPZEDCKVKLDZ-QMMMGPOBSA-N 312.282 -0.268 5 10 DBBE C[C@H](O)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1 356890519 DEILHVBZMBMIIN-ZJUUUORDSA-N 312.330 -0.900 5 10 DBBE CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594754742 CBUVPJGLYYNYPZ-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc(N)ncc1[N+](=O)[O-] 696994177 GYHAHSIBZFSXAF-IYSWYEEDSA-N 303.300 -0.809 5 10 DBBE O=C1NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@H]12 1116566780 VCLQTVHWCMRVHX-SECBINFHSA-N 305.250 -0.634 5 10 DBBE Cc1ncc(CC(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 1298396903 LGCCHTQOZAJSAW-JGLYPNHGSA-N 322.321 -0.021 5 10 DBBE C[C@@H]1CN(CCO)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1557000643 BEISAPGKNCDIEW-LLVKDONJSA-N 324.337 -0.719 5 10 DBBE CCn1cc(CC(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1581020537 QUWLGVIESBOPDJ-VXGBXAGGSA-N 323.353 -0.315 5 10 DBBE Cc1ccc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1704883948 LACYZPAJMVCOTC-ZYHUDNBSSA-N 321.337 -0.019 5 10 DBBE C[C@@]1(O)CON(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1963009034 ZJNAAPGQFXSDCY-JTQLQIEISA-N 304.280 -0.013 5 10 DBBE CN(C)c1nc(SCCS(N)(=O)=O)ncc1[N+](=O)[O-] 2101467755 XKFWZGUEPGZBRL-UHFFFAOYSA-N 307.357 -0.169 5 10 DBBE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1O)c1csc([N+](=O)[O-])c1 2121332343 DIKUZQIMCVTYNY-RQJHMYQMSA-N 306.321 -0.456 5 10 DBBE NS(=O)(=O)c1n[nH]c(=NC(=O)c2cc([N+](=O)[O-])c[nH]2)s1 2146480464 YCGKXZWSQYTZAI-UHFFFAOYSA-N 318.296 -0.904 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)c1cc(O)ccc1[N+](=O)[O-] 2152939716 LFIISLHPDFYOSS-LURJTMIESA-N 303.296 -0.293 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1F 2157536659 IIUHNAGXVVYYOH-UHFFFAOYSA-N 306.275 -0.743 5 10 DBBE NCCCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2281157492 QFDCROCHILKXNV-UHFFFAOYSA-N 304.328 -0.678 5 10 DBBE CN(NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)S(C)(=O)=O 2365292034 LZKJSWDJFIKHPX-UHFFFAOYSA-N 324.340 -0.738 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NCc1nnn[nH]1 44930679 SOJQVYZNQPAZLQ-UHFFFAOYSA-N 302.247 -0.275 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCOC[C@H]1CO 168646615 OEGSQBBENAUSTL-SECBINFHSA-N 302.308 -0.023 5 10 DBBE Cc1nc(NN)nc(N[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 235964324 RMZBIDURQYJLCV-LURJTMIESA-N 302.316 -0.422 5 10 DBBE O=C1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C(=O)N1 272268725 CRUZFAPCFLPIDP-ZETCQYMHSA-N 321.245 -0.142 5 10 DBBE CC[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)NC 594782930 RXNXGEIPUCAPNO-ZETCQYMHSA-N 302.312 -0.207 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(N)CCCC2)n1 599101409 PQJBKQORIYKMJX-UHFFFAOYSA-N 303.344 -0.122 5 10 DBBE CS(=O)(=O)c1ccc(C(=O)N2CC=C(N)N2)cc1[N+](=O)[O-] 1134149714 DSFSSIIEJFGCBY-UHFFFAOYSA-N 312.307 -0.241 5 10 DBBE COC[C@@]1(CO)CCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)C1 1158341716 OZOLCLOKWKQWEW-ZDUSSCGKSA-N 312.326 -0.043 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(CCn2c([N+](=O)[O-])cnc2C)C1 1168317163 JWGZZHSURKZNBG-SNVBAGLBSA-N 317.371 -0.277 5 10 DBBE CS(=O)(=O)C1CN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)C1 1557029005 DJNMHWIMAIOEDN-UHFFFAOYSA-N 301.280 -0.436 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncn(C)n1 1577540464 SQWIKUHSGSEYOL-NXEZZACHSA-N 324.341 -0.551 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)n1 1634984527 IMICZGGFNLIHLU-SSDOTTSWSA-N 302.312 -0.413 5 10 DBBE O=C(Cn1cccn1)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1679063464 MHFBEUUVUPGWOZ-DDHJBXDOSA-N 321.337 -0.441 5 10 DBBE CN1CCC[C@H](Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)C1 2156819487 CFLRBORKBMGERA-QMMMGPOBSA-N 303.344 -0.220 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN=[S@@](N)(=O)N2CCOCC2)n1 2240633599 HBURNECWJHXLMY-HXUWFJFHSA-N 304.332 -0.583 5 10 DBBE NCC(CO)(CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 2280453805 OPKDIVNTWWUZHL-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)CC2(CO)CC2)n1 2290078509 AYHWFSAWEUXTQB-UHFFFAOYSA-N 304.328 -0.480 5 10 DBBE O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1NC[C@@H](O)[C@H]1O 2357926206 BJZARKIKZFYIBG-FKTZTGRPSA-N 301.686 -0.120 5 10 DBBE Cc1[nH]ccc(=N[C@H](CS(C)(=O)=O)C(=O)O)c1[N+](=O)[O-] 2360615339 VAQICFKAYZETAQ-MRVPVSSYSA-N 303.296 -0.370 5 10 DBBE CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 36265002 HBNUOOWDNPUSNZ-KWQFWETISA-N 317.323 -0.435 5 10 DBBE CNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NCC(N)=O 50638754 JRGLMGQBSCMOFM-UHFFFAOYSA-N 306.275 -0.461 5 10 DBBE C[C@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 51840049 PHMBNEIITYGLCV-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE COc1ccc([C@@H](O)CN(CCO)CCO)cc1[N+](=O)[O-] 62356359 CFEYXQGEYRSEJH-LBPRGKRZSA-N 300.311 -0.077 5 10 DBBE COC[C@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 228260290 FAQROJYKENSASZ-QMMMGPOBSA-N 305.312 -0.335 5 10 DBBE O=C(NC(CO)(CO)CO)c1cc([N+](=O)[O-])cnc1Cl 236491087 CTYFGIBSUKZXPT-UHFFFAOYSA-N 305.674 -0.911 5 10 DBBE CS(=O)(=O)[C@H]1CCCN(c2nc(N)ncc2[N+](=O)[O-])C1 313451467 BUUJMWOFBRNCDJ-ZETCQYMHSA-N 301.328 -0.020 5 10 DBBE CNc1nccc(C(=O)N2CCC[C@@](O)(CO)C2)c1[N+](=O)[O-] 576240026 PBKFCVHSSUNQGY-ZDUSSCGKSA-N 310.310 -0.009 5 10 DBBE CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594761995 SZZDBHSALYQSKG-QMMMGPOBSA-N 316.339 -0.008 5 10 DBBE C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1CO 599288646 QSZRRYLQBJWLRZ-VXNVDRBHSA-N 304.328 -0.280 5 10 DBBE CN(CCNCC(=O)Nc1cnccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1266696225 AKRAOCLNSUTSSF-NXEZZACHSA-N 322.325 -0.872 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCNS(C)(=O)=O 1318787991 HNMHEOKLXVPJHW-UHFFFAOYSA-N 316.339 -0.081 5 10 DBBE C[C@]1(CO)C[C@@H](O)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1453742829 IFSFUMXOVXRFLJ-MBNYWOFBSA-N 310.306 -0.028 5 10 DBBE CC(C)(CCC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)[N+](=O)[O-] 1597327198 IOOWCIAZYXONNJ-VIFPVBQESA-N 320.371 -0.817 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1CC(N[C@@H]2CCOC2)C1 1597701988 XYNQPPSFADGZDK-SNVBAGLBSA-N 309.326 -0.229 5 10 DBBE CCc1[nH]nc(C(=O)N2CCS(=O)(=O)CCO2)c1[N+](=O)[O-] 1648870686 BQPWAAZHWQKKFI-UHFFFAOYSA-N 318.311 -0.318 5 10 DBBE CCn1ncnc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1670782302 ZBWUWWMQWBMILO-NXEZZACHSA-N 308.342 -0.298 5 10 DBBE Cc1cnn(C)c1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1738505828 WCPNCGVFKAICJI-YIZUVKHSSA-N 321.337 -0.204 5 10 DBBE CCS(=O)(=O)NC1CN(c2ccc([N+](=O)[O-])c(N)n2)C1 2165631001 SCJNDFKQUQZJSF-UHFFFAOYSA-N 301.328 -0.300 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=N[C@@H]2C[P@](C)(=O)C[C@H]2O)[nH]1 2177955626 ZWNVWRKYOQYUQO-XMTZQAPESA-N 301.243 -0.582 5 10 DBBE COCC1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CNC1 2190697995 JEFGWOUMYQFBMY-UHFFFAOYSA-N 301.324 -0.139 5 10 DBBE O=C(O)[C@@H](N=c1cc[nH]cc1[N+](=O)[O-])C1CS(=O)(=O)C1 2197523034 BYJPWUHCLFOLBM-VIFPVBQESA-N 301.280 -0.679 5 10 DBBE C[C@H](O)c1cc([N+](=O)[O-])c(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)s1 2357910083 XNXVOXRRFNHDAL-QOQKJPIQSA-N 304.324 -0.388 5 10 DBBE NNc1ccc(S(=O)(=O)N2CCOCC2)c([N+](=O)[O-])c1 37115589 KBMLFHADCBGPLG-UHFFFAOYSA-N 302.312 -0.099 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](N)[C@H](C)O 80738364 FFKAWJLXFDXRNP-DTWKUNHWSA-N 303.340 -0.110 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 158490017 AHYRECCTKYALSY-IBGZPJMESA-N 322.368 -0.463 5 10 DBBE O=C1NCCC[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594751897 GFZNXUPYSOXLEP-ZETCQYMHSA-N 300.296 -0.453 5 10 DBBE CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1cnc(C(N)=O)n1 1124816417 VELLGWBDJTWYPP-UHFFFAOYSA-N 318.293 -0.056 5 10 DBBE O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CCN1 1289982698 PCFKPWSOWDGVDB-UHFFFAOYSA-N 317.265 -0.858 5 10 DBBE Cn1c(COC(=O)Cn2cnc([N+](=O)[O-])n2)nnc1C1CC1 1343291577 CRFFSKOKURXHAC-UHFFFAOYSA-N 307.270 -0.064 5 10 DBBE O=C(CN1CCCC1)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1356617169 LFMLIPPEIMBMNL-CHWSQXEVSA-N 324.381 -0.145 5 10 DBBE CNC(=O)NC[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 1455082207 XBSRMPLQPDBUHL-MRVPVSSYSA-N 312.282 -0.042 5 10 DBBE C[C@@]1(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)NC(=O)NC1=O 1465433947 KLQOODCYLHNHHV-KKFJDGPESA-N 310.310 -0.512 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 1518056630 VMVDRUIXEUIGNQ-GXSJLCMTSA-N 311.342 -0.065 5 10 DBBE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1586520780 JCMKDYDQOYNMDD-HTQZYQBOSA-N 316.339 -0.024 5 10 DBBE Cn1ccc(=NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)nc1O 1644189505 PQMNYYDRHBAXQY-UHFFFAOYSA-N 305.250 -0.677 5 10 DBBE O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC2(C[C@H](O)CNC2=O)C1 1651761621 KOJVZWDXBRVDPZ-LBPRGKRZSA-N 319.317 -0.153 5 10 DBBE Cc1ncncc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689242781 KUEWJCVHIYJQHH-IRSQKABVSA-N 319.321 -0.148 5 10 DBBE C[C@H](N=c1cc([N+](=O)[O-])cc(NN)[nH]1)[C@@H](C)S(C)(=O)=O 2170588273 KKPNMTQXTIXOKV-NKWVEPMBSA-N 303.344 -0.069 5 10 DBBE CN(C)S(=O)(=O)c1ncn(-c2c([N+](=O)[O-])ncn2C)n1 2179130058 MTZWSHNLYJSSSE-UHFFFAOYSA-N 301.288 -0.841 5 10 DBBE COC(=O)[C@@H](C)CS(=O)(=O)N=c1cc[nH]cc1[N+](=O)[O-] 2202430351 RFCMWFRJIHGZBC-ZETCQYMHSA-N 303.296 -0.038 5 10 DBBE CNC(=O)CNS(=O)(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 2232784131 RYQIAEMUVDNLMX-UHFFFAOYSA-N 322.730 -0.145 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CC(O)(CO)C1 2284569884 FFZOLFJDQMANIR-UHFFFAOYSA-N 302.308 -0.241 5 10 DBBE CN1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@@H]21 153192081 MTOCJMHIVBARRL-QWRGUYRKSA-N 307.310 -0.392 5 10 DBBE N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 227440346 OZFHJXABMDXBEN-IANFPDNMSA-N 314.323 -0.617 5 10 DBBE Cc1nc(N)nc(N(C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 234336302 GQPBXLIHCBJAGT-ZETCQYMHSA-N 301.328 -0.101 5 10 DBBE CS(=O)(=O)N1CC[C@@H](N=c2ccc([N+](=O)[O-])c(N)[nH]2)C1 400176398 NKZIGDUJAVFHJN-SSDOTTSWSA-N 301.328 -0.560 5 10 DBBE C[C@H]1CN(c2nc(=N)[nH]cc2[N+](=O)[O-])C[C@H](C)S1(=O)=O 400825684 KVGQSQGKVRHCJL-BQBZGAKWSA-N 301.328 -0.191 5 10 DBBE Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1 408169205 MQLLVCCERQGVLW-SNVBAGLBSA-N 319.321 -0.246 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2(C)CCNCC2)n1 599109445 WZKAWFRMDGAACE-UHFFFAOYSA-N 303.344 -0.251 5 10 DBBE C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1C(N)=O 599541286 HIKAKQSPDAKTSA-FXAINCCUSA-N 322.321 -0.158 5 10 DBBE O=C(c1ncc[nH]1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 940995372 GYBMNKULDMNJOO-NXEZZACHSA-N 307.310 -0.251 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(CC(N)=O)C1 1116050066 OADBDHYCXJUJMO-SNVBAGLBSA-N 321.337 -0.022 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NCCOCCCO 1118382071 QYIGCLRBJWJBDD-UHFFFAOYSA-N 305.312 -0.333 5 10 DBBE Cc1cc(CC(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 1298326740 YGWPZNMPTNETIO-JDEDCZITSA-N 322.321 -0.021 5 10 DBBE CN1CCC(N(CCO)C(=O)c2c([N+](=O)[O-])cnn2C)CC1 1469565834 VYHRVBFIJLJXTH-UHFFFAOYSA-N 311.342 -0.143 5 10 DBBE COCC1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 1506139628 CSCGNAXRAGYDHW-NXEZZACHSA-N 311.338 -0.157 5 10 DBBE CC1=NNC(=O)[C@H]1CCNC(=O)Cn1c([N+](=O)[O-])cnc1C 1565612168 FLLWTJBTNGZWPH-VIFPVBQESA-N 308.298 -0.272 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2C[C@@H]3COC[C@H]3O2)c1=O 1613452376 NVMRWGFTNMNKET-POZPLHJXSA-N 309.278 -0.341 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NOCCN1CCCC1=O 1634250600 CCBBOFTWTYTGRI-UHFFFAOYSA-N 311.298 -0.230 5 10 DBBE O=C(Cc1cccnc1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758156297 NOWRINNHRRZXGG-VXGBXAGGSA-N 306.322 -0.088 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@]2(O)CCNC2)c1 2143456569 GTXCWJBXQGXYEC-NSHDSACASA-N 301.324 -0.403 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N=[S@]2(=O)CC[C@@H](CN)C2)n1 2186528802 XYPNKUCEZKEFKB-JKNYTWMOSA-N 301.328 -0.085 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 2192677154 MZZIDVYQINOYTJ-JGVFFNPUSA-N 319.364 -0.229 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NCC2CN(S(C)(=O)=O)C2)[nH]1 2239002151 RRECZVGYQXTOHM-UHFFFAOYSA-N 303.344 -0.464 5 10 DBBE C[C@H](O)CN(CCN)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2285346965 HALRSNYLEIXWID-QMMMGPOBSA-N 304.328 -0.680 5 10 DBBE CN1CCN(C(=O)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 58898006 WAMBFPWGYVAXOH-CHWSQXEVSA-N 324.381 -0.336 5 10 DBBE COCCN(C)CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 61378327 UKTAXQUYZJESEN-GFCCVEGCSA-N 301.347 -0.680 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 136254673 LJJBRQMYZPVGKV-BYPYZUCNSA-N 308.341 -0.219 5 10 DBBE COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)N(C=O)CCCN 170357580 PFJGNDKPBWIGAQ-UHFFFAOYSA-N 324.293 -0.124 5 10 DBBE CN1C[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)NC1=O 597479609 TYMPFKUOFIPUDK-LLVKDONJSA-N 305.294 -0.102 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(c2cc([N+](=O)[O-])cc(N)n2)C1 703163481 QIVAWBSKVYYMDC-ZETCQYMHSA-N 301.328 -0.300 5 10 DBBE CN(C)C[C@H](O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 717335246 WUBPUWIOXBPDSR-SECBINFHSA-N 303.340 -0.204 5 10 DBBE Cn1cnc(CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 1332470818 RWQRCQAUFYSEBF-UHFFFAOYSA-N 320.309 -0.366 5 10 DBBE CNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 1630168226 KYPMESDNVCCKQS-UHFFFAOYSA-N 321.337 -0.319 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC1CN(c2ccncn2)C1 1636093412 PUUIXPAPUYXNOP-UHFFFAOYSA-N 303.282 -0.414 5 10 DBBE O=C(CNC(=O)[C@H]1CN2CCN1CC2)c1cccc([N+](=O)[O-])c1 1850215557 KBCYCYOYUIADHE-CYBMUJFWSA-N 318.333 -0.107 5 10 DBBE NC(=O)[C@H]1CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 1963536941 JDCOAVWIPGGFMH-SSDOTTSWSA-N 303.271 -0.018 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)CCN1 1965353503 XXLBRAFDRMZDMI-UHFFFAOYSA-N 302.312 -0.692 5 10 DBBE Nc1ccnc(N2CC[C@@H](CS(N)(=O)=O)C2)c1[N+](=O)[O-] 2144395600 PVDLTUTZEUVYIP-SSDOTTSWSA-N 301.328 -0.313 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@H](O)C[C@@H]2O)cc1 2164978989 NAPSTTWWHXDOGI-GDPRMGEGSA-N 302.308 -0.243 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CNCC[C@@H]1O 2183272907 WSUBAQTUYZGGNB-WPRPVWTQSA-N 301.324 -0.404 5 10 DBBE O=C(O)[C@H](Cc1cncs1)NC(=O)N1CC([N+](=O)[O-])C1 2191502562 CXLIMSMPNIXQCD-QMMMGPOBSA-N 300.296 -0.191 5 10 DBBE CNS(=O)(=O)CCN(C)c1ccc([N+](=O)[O-])c(NN)c1 2234460266 ZVHJTBBXADVDLW-UHFFFAOYSA-N 303.344 -0.134 5 10 DBBE NS(=O)(=O)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] 36745898 MNAJEORUDUSCJN-UHFFFAOYSA-N 313.295 -0.468 5 10 DBBE CS(=O)(=O)c1cccc(N(CCO)CCO)c1[N+](=O)[O-] 138085362 IHLDTHVRQVWNCP-UHFFFAOYSA-N 304.324 -0.211 5 10 DBBE CN(CCS(C)(=O)=O)C(=O)c1cc(N)ncc1[N+](=O)[O-] 234292718 VEUFSGHMKBSHIE-UHFFFAOYSA-N 302.312 -0.311 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1COC[C@H]1O 323131210 RMARJWVMLCYNLH-WCBMZHEXSA-N 302.308 -0.059 5 10 DBBE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1=O 374143524 TZQYPGYSGFKPEJ-WCABBAIRSA-N 307.310 -0.083 5 10 DBBE NC(=O)[C@@]1(O)CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 593648357 JYLWRQLMZOCYLP-CYBMUJFWSA-N 311.269 -0.275 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(=O)N1CCCO1 600055985 RSGXZHNDYLJXSS-UHFFFAOYSA-N 311.298 -0.230 5 10 DBBE CS(=O)(=O)NC1CN(c2ccc([N+](=O)[O-])cc2CO)C1 703008092 BKCPLNWETDKXJF-UHFFFAOYSA-N 301.324 -0.175 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 1116459576 HTDAQTNAXSKZRJ-SSDOTTSWSA-N 317.327 -0.908 5 10 DBBE NC1=CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)N1 1535682852 UCJOVCHXZBTXOQ-UHFFFAOYSA-N 319.277 -0.533 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC2(CC1)OCCCO2 1556764025 VTIAPXAVMAKHND-UHFFFAOYSA-N 311.298 -0.058 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@]1(O)CCSC1 1621770113 IIUAACCPFAANEH-GFCCVEGCSA-N 313.335 -0.259 5 10 DBBE CCO[C@@H]1COC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1624144044 SJWYGLIJGPVBBY-BXKDBHETSA-N 311.294 -0.323 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1641989849 AAHBKZOMWNCALW-NXEZZACHSA-N 315.307 -0.814 5 10 DBBE CCn1cc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)nn1 2143646733 BHJUTLDITBUGAF-UHFFFAOYSA-N 301.288 -0.902 5 10 DBBE CS(=O)(=O)C1CN(c2cnc([N+](=O)[O-])cc2C(=O)O)C1 2152284520 KYMKBGXGPHTWPM-UHFFFAOYSA-N 301.280 -0.079 5 10 DBBE Cc1[nH]ccc(=N[C@H]2COC[C@@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2207474086 OLYZUAVADGGNJG-UWVGGRQHSA-N 301.324 -0.056 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC[C@@H]2[C@H](O)CO)c1 2286222234 UKBSRYAQEARCJS-NXEZZACHSA-N 303.296 -0.894 5 10 DBBE O=[N+]([O-])Nc1nonc1-c1nonc1-c1nonc1[N+](=O)[O-] 2295355844 RUGQSXVJEHNERO-UHFFFAOYSA-N 311.130 -0.319 5 10 DBBE NC(=O)OCCNS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 157996450 CUCRIWWSSDJUKT-UHFFFAOYSA-N 304.284 -0.449 5 10 DBBE O=C1NC(=O)[C@@]2(CCCN(CCn3cc([N+](=O)[O-])cn3)C2)N1 192642116 QXDIBUGLXGCUAI-LBPRGKRZSA-N 308.298 -0.535 5 10 DBBE CC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 268671691 BCCFDVHUYNBNCQ-SNVBAGLBSA-N 322.321 -0.164 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1COC[C@@H]1O 323356612 AMEXHZCAPAXPMA-APPZFPTMSA-N 303.296 -0.785 5 10 DBBE COCCCN(CCO)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599286633 DJJWJWVADCAXCT-UHFFFAOYSA-N 322.343 -0.652 5 10 DBBE CCOC(=O)C1=CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 862871750 CUBLLMMWUNGVHI-VIFPVBQESA-N 309.282 -0.046 5 10 DBBE O=C1CC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@@H]2N1 1531747940 OSANDAJRPCMKKM-BDAKNGLRSA-N 308.298 -0.687 5 10 DBBE CN(C)C(=O)CN1CCCN(c2nn(C)cc2[N+](=O)[O-])CC1 1643187603 RPTKPDDTWCBPEX-UHFFFAOYSA-N 310.358 -0.071 5 10 DBBE Cc1nccn1CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721706081 YKQWKWUDDSKKLH-VXGBXAGGSA-N 323.353 -0.226 5 10 DBBE Cn1nnnc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860769503 UOGBBNSSHQZQHA-UHFFFAOYSA-N 318.297 -0.524 5 10 DBBE Cn1c(C(=O)N2CCO[C@@H](C(=O)NC3CC3)C2)cnc1[N+](=O)[O-] 1891588852 YOIKXMWFMIXJDZ-SNVBAGLBSA-N 323.309 -0.552 5 10 DBBE O=C(NCC(O)(CO)CO)c1cc([N+](=O)[O-])ccc1Cl 1913800434 IMHATBHCGYRJDX-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE Cc1c(CNS(=O)(=O)N2CC(O)C2)cccc1[N+](=O)[O-] 1914121824 CGDSHHLGMZNPAJ-UHFFFAOYSA-N 301.324 -0.086 5 10 DBBE C[C@@H]1[C@@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 2182524125 RPQHUZICNFFZNY-MUWHJKNJSA-N 302.312 -0.366 5 10 DBBE O=Cc1cc(N2CC[C@](O)(CO)[C@H](O)C2)c([N+](=O)[O-])s1 2234104433 IYMHUANGPPAVMY-KOLCDFICSA-N 302.308 -0.237 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@H](C)CS(=O)(=O)N(C)C)[nH]1 2238912037 KMKSFDQVMDZPDV-MRVPVSSYSA-N 305.360 -0.075 5 10 DBBE Cc1ncc([N+](=O)[O-])c(=NC[C@@H]2CCS(=O)(=O)N2C)[nH]1 2286619814 AUXAKMTVRWVOFZ-QMMMGPOBSA-N 301.328 -0.439 5 10 DBBE CCS(=O)(=O)N(C)Nc1nc(=NC)[nH]c(C)c1[N+](=O)[O-] 2365260268 RQDDWVVOYCWBHM-UHFFFAOYSA-N 304.332 -0.235 5 10 DBBE C[C@H](O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 51840045 RYEPGCIFGVZPAO-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE O=C1CC[C@H](NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CN1 111018985 QCOJNXAMPFZMIW-ZETCQYMHSA-N 315.307 -0.143 5 10 DBBE CCCn1cc([N+](=O)[O-])c(=O)n(C[C@@H](O)CNCC)c1=O 111544555 KKCJRAJGWRCNRF-VIFPVBQESA-N 300.315 -0.701 5 10 DBBE O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C1CC1 160915872 BNGDQINDXFTQJR-UHFFFAOYSA-N 314.323 -0.206 5 10 DBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCNCC1 243075524 INQIZFDCFOPMSD-UHFFFAOYSA-N 318.289 -0.377 5 10 DBBE COC[C@@H](C(N)=O)N(C)C(=O)CNc1ccccc1[N+](=O)[O-] 354561520 DHPGUUHHBXBHRI-NSHDSACASA-N 310.310 -0.035 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN1CCCN(S(C)(=O)=O)CC1 408306920 BYMGIJLMFFFZRA-UHFFFAOYSA-N 317.371 -0.204 5 10 DBBE COC[C@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593554560 VDFQZKXTKIFXCJ-SNVBAGLBSA-N 305.312 -0.335 5 10 DBBE CN1CC[C@@](O)(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594768392 LQNBVDZMNYFSEN-LLVKDONJSA-N 316.339 -0.665 5 10 DBBE CNC(=O)NC[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCO1 599127216 FGDKHAIVTAJVLT-QMMMGPOBSA-N 310.314 -0.294 5 10 DBBE CN1CCC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599217860 JDEUAZREBOVGSC-MRVPVSSYSA-N 303.344 -0.299 5 10 DBBE O=C(O)[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 725374086 GBWHYFHSOADYQP-ZJUUUORDSA-N 315.307 -0.454 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NCC[C@H]1CCCS1(=O)=O 1132959060 REASSBGETMGQPG-SECBINFHSA-N 316.339 -0.125 5 10 DBBE O=C(c1cccc([N+](=O)[O-])c1)N1CC2(C[C@@H](O)CNC2=O)C1 1177692260 DMMJLUHEWOKALV-LLVKDONJSA-N 305.290 -0.082 5 10 DBBE CCn1ncc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1284520166 PPMDHNXZYBSCNC-PSASIEDQSA-N 310.314 -0.849 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OCc1nnc2n1CCCC2 1320906071 QXPSFSIIRDJUPU-UHFFFAOYSA-N 307.270 -0.143 5 10 DBBE O=C(Cn1cccn1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689227802 YLHOEQVONSZWQA-JLVKAVFRSA-N 307.310 -0.663 5 10 DBBE CN(CCN(C)S(C)(=O)=O)c1nc(F)ncc1[N+](=O)[O-] 2146948436 CHTFHTMJKABOBD-UHFFFAOYSA-N 307.307 -0.149 5 10 DBBE CS(=O)(=O)C[C@@H]1CCCN1c1nc(=N)[nH]cc1[N+](=O)[O-] 2151275309 WVMOLCNBRXRLMP-ZETCQYMHSA-N 301.328 -0.189 5 10 DBBE C[C@H]1CCN(CCn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)C1 2156824469 ODYPLLRAEOKSQJ-QMMMGPOBSA-N 303.344 -0.220 5 10 DBBE NCC1CN(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)C1 2161190065 HMUNFCSIQBLKMS-UHFFFAOYSA-N 302.312 -0.152 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 2192663270 WGMKPTLRPUAIGC-IONNQARKSA-N 301.328 -0.631 5 10 DBBE Cc1c([N+](=O)[O-])c(=NCC(C)(C)NS(C)(=O)=O)[nH]n1C 2207488857 NGACACOPXYUHEZ-UHFFFAOYSA-N 305.360 -0.202 5 10 DBBE Nc1ccc([N+](=O)[O-])c(NC[C@@H]2NC[C@H](O)[C@H]2O)c1Cl 2234019670 LOFNBNLTDOEGMN-RASWFIQWSA-N 302.718 -0.064 5 10 DBBE C[C@H](O)[C@H](N)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 80749085 JDIHQIWMZLDBPI-POYBYMJQSA-N 305.312 -0.713 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)C(N)=O 227838412 VRXXXPHBTOTIEQ-QMMMGPOBSA-N 303.296 -0.972 5 10 DBBE CS(=O)(=O)NCCNc1cnc([N+](=O)[O-])cc1C(=O)O 312227706 ITOPLLTXMCYDBG-UHFFFAOYSA-N 304.284 -0.351 5 10 DBBE COC(=O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 351950534 VYCUOFKNQJEIMQ-YFKPBYRVSA-N 310.309 -0.532 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1c([N+](=O)[O-])c(C)nn1C 596433486 HBQLJEZAHARZDV-YUMQZZPRSA-N 304.328 -0.139 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)n1 599309945 MRSZPWOGWWYTBR-CIUDSAMLSA-N 316.339 -0.138 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C1=CS(=O)(=O)CCC1 1294740400 BAHQRUUEVWKRHZ-UHFFFAOYSA-N 314.323 0.000 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCO[C@]2(CCS(=O)(=O)C2)C1 1326294880 FHTDGSCEXIRCFO-LLVKDONJSA-N 316.339 -0.278 5 10 DBBE CNc1nccc(C(=O)N2CCN(C)C[C@@H]2CO)c1[N+](=O)[O-] 1454223262 UIQWJAXNBJBJGZ-SECBINFHSA-N 309.326 -0.220 5 10 DBBE CNC(=O)CN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)NC 1473768799 HACRQHXITNLZIB-UHFFFAOYSA-N 308.338 -0.069 5 10 DBBE COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])ccc1N 1649141210 OUBXDIHPRKCTFZ-LDYMZIIASA-N 309.278 -0.075 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])C(=O)N1C[C@H](O)C[C@@H]1C(=O)O 1866349461 WLQQSLRUMLWZOJ-MWLCHTKSSA-N 322.273 -0.247 5 10 DBBE C[C@H](CS(N)(=O)=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 2152956457 DCNCVMUNNLZEKI-SSDOTTSWSA-N 323.352 -0.450 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CC2(C1)OC[C@H](O)[C@@H]2O 2183638602 QIXXJGPTHCREJA-FSPLSTOPSA-N 302.674 -0.651 5 10 DBBE CS(=O)(=O)N1CC(CN=c2[nH]c(F)ncc2[N+](=O)[O-])C1 2233068314 JHOFFMNNAYVLQG-UHFFFAOYSA-N 305.291 -0.751 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@H]2CCNC2)n1 2240624007 QEYGNPDVTSXGSG-QMMMGPOBSA-N 303.344 -0.643 5 10 DBBE NCC(CO)(CO)Nc1ncc([N+](=O)[O-])cc1Br 2254609008 LGMBROZGMQDWFN-UHFFFAOYSA-N 321.131 -0.154 5 10 DBBE NCc1ccc(O[C@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c1 37700895 KJQMZOCXYHHTFH-ONGXEEELSA-N 302.308 -0.410 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)c1 236531504 OLNPIIVELHSXFH-RKDXNWHRSA-N 306.271 -0.540 5 10 DBBE Cc1nn(CCC(=O)N[C@@H]2CCC(=O)NC2=O)c(C)c1[N+](=O)[O-] 435983903 KXDAXTOUNZPCLN-SECBINFHSA-N 323.309 -0.280 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1=O 594770844 PMMAWOAWHSKCCE-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE CCOC(=O)C12CC(CN1C(=O)Cn1cnc([N+](=O)[O-])n1)C2 598447948 ABWLQQGMWNRNJH-UHFFFAOYSA-N 309.282 -0.260 5 10 DBBE CC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC 599255741 JOBJXEPHPGKEIE-ZCFIWIBFSA-N 306.300 -0.442 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC(NS(C)(=O)=O)C2)n1 600324111 CBYSJLIYACVXNL-UHFFFAOYSA-N 317.327 -0.815 5 10 DBBE O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@H]1COCCO1 750764743 SVMPINVMNUBOHS-MRVPVSSYSA-N 317.279 -0.790 5 10 DBBE CS(=O)(=O)C1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 1161843635 KKKMJTDGNPFIOX-UHFFFAOYSA-N 300.296 -0.559 5 10 DBBE Cc1nn(C)c2c1N(C(=O)Cn1cnc([N+](=O)[O-])n1)CCO2 1319837091 GTAMPTPRTRMZKV-UHFFFAOYSA-N 307.270 -0.346 5 10 DBBE Cc1nn(C)c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1[N+](=O)[O-] 1558906267 UBKCVYONPOOOKV-LLVKDONJSA-N 316.339 -0.056 5 10 DBBE O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H](O)Cn1ccnn1 1638696949 GFUKNKXSQWODJO-LLVKDONJSA-N 321.293 -0.258 5 10 DBBE C[C@@H]1CN(CCO)CCN1C(=O)c1cnc(O)c([N+](=O)[O-])c1 1642573694 AXBCXRNMLFFFQU-SECBINFHSA-N 310.310 -0.166 5 10 DBBE O=[N+]([O-])c1cnc(N2CCN3[C@H](CNS3(=O)=O)C2)s1 1643223653 ZXTNXNJQDVLKNS-ZCFIWIBFSA-N 305.341 -0.610 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CO)[C@H](C)O 2174116909 RJYGBDUQZASGAC-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1CC[C@@](O)(CO)[C@H](O)C1 2234102443 ZCJNOILQFKOYAP-MWLCHTKSSA-N 302.308 -0.414 5 10 DBBE NC[C@H](O)CN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O 52125874 UBTIDKVMGUDEAV-ZETCQYMHSA-N 301.280 -0.941 5 10 DBBE Cc1cc(S(=O)(=O)NC[C@H](O)CO)cc([N+](=O)[O-])c1C 90281267 WUAOBMWODODGMO-VIFPVBQESA-N 304.324 -0.157 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](N)C(=O)O 323240352 AQSLEUYJYDKLJZ-ZETCQYMHSA-N 303.296 -0.407 5 10 DBBE COCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593583192 ZVUQZIPOSMDYCB-UHFFFAOYSA-N 318.355 -0.154 5 10 DBBE C[C@@H](Cn1cccn1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599216506 RJWJTZJITYQUIM-QMMMGPOBSA-N 314.327 -0.108 5 10 DBBE COC(=O)C12CC(CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2 1118784254 HKGAVEORCPNACM-UHFFFAOYSA-N 321.289 -0.080 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 1133345265 YRBZSHNVURMGQW-USWWRNFRSA-N 323.305 -0.323 5 10 DBBE O=C(NCC1(O)CN(Cc2cscn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1271281728 FRKGKWCFKVMCLE-NXEZZACHSA-N 312.351 -0.529 5 10 DBBE Cc1ccn(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1283247241 WIRGGUPXKASORD-GHMZBOCLSA-N 309.326 -0.521 5 10 DBBE O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(=O)N1CC[C@@H]1CO 1289246850 OCRSVNBPSOGGIN-SECBINFHSA-N 319.273 -0.216 5 10 DBBE CC(C)NC(=O)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1330595194 RWBJKEKVGXQJLK-DDHJBXDOSA-N 312.370 -0.339 5 10 DBBE COC(=O)[C@](C)(O)CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1447452092 JMSOMSBUFVRGHI-ZWNOBZJWSA-N 312.278 -0.332 5 10 DBBE O=C(c1ccccc1[N+](=O)[O-])N1CC2(C[C@H](O)CNC2=O)C1 1471823806 YMTDYJUDARUGOX-VIFPVBQESA-N 305.290 -0.082 5 10 DBBE Cc1nn(C)cc1CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1491697579 QKVJBKFKLLMQNA-VXGBXAGGSA-N 323.353 -0.441 5 10 DBBE NC1=CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)N1 1617202347 ZFDKXOIIRAIMLC-MRVPVSSYSA-N 321.293 -0.061 5 10 DBBE COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)N1CC(O)C1 1914121491 AXVSOOKJFBYYIV-UHFFFAOYSA-N 303.296 -0.063 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@@H]1N 2149985199 AXSMXYPTLMOOPS-VHSXEESVSA-N 301.324 -0.092 5 10 DBBE N[C@H](CS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)O 2195337510 WCTRWQZXWOZRMW-SECBINFHSA-N 302.308 -0.036 5 10 DBBE CS(=O)(=O)[C@H](CN=c1[nH]cnc(N)c1[N+](=O)[O-])C1CC1 2232821976 SKWJJVFMMWWEME-SSDOTTSWSA-N 301.328 -0.376 5 10 DBBE O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289404935 BVCAXWXXYNISET-WHFVKQHSSA-N 303.702 -0.207 5 10 DBBE Cn1[nH]c(=NCCS(=O)(=O)C(F)(F)F)nc1[N+](=O)[O-] 2345019951 YEBFUAQFCVUFBG-UHFFFAOYSA-N 303.222 -0.508 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCC2(O)CNC2)ccc1F 312241487 QEYGHEOCMIEOSS-UHFFFAOYSA-N 305.287 -0.654 5 10 DBBE NCCCOCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] 599110013 CASOGWXVPZFGPG-UHFFFAOYSA-N 304.328 -0.367 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N[C@H]1CNC[C@H]1O 699961420 DRKZHNJNCMURIN-IONNQARKSA-N 305.287 -0.655 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cnc2n1CCOC2 1134697331 FAPQDVOITOTLRQ-UHFFFAOYSA-N 306.282 -0.166 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCN(C(N)=O)C1 1140243521 XZBXMUAVMFGNPG-SECBINFHSA-N 310.314 -0.383 5 10 DBBE COC1(C(F)(F)F)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1156995233 YPIWDZKSTMXPBD-UHFFFAOYSA-N 309.204 -0.024 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1ccnc1 1284704579 GVZGXDNJUOBMSW-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CC(N2CCCC2=O)C1 1559290331 JUCCSGLNWXJHGZ-UHFFFAOYSA-N 305.294 -0.100 5 10 DBBE O=C1NCC2(CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)O1 1570494628 GVDAFPAEMXDROX-UHFFFAOYSA-N 308.250 -0.923 5 10 DBBE Cc1ccc(C(=O)N2CC(NS(N)(=O)=O)C2)cc1[N+](=O)[O-] 1642818576 UYSVADMJMKWCDM-UHFFFAOYSA-N 314.323 -0.479 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nn1nnc2c1CCCC2 1646508289 AYNRXLGNKNHPAR-UHFFFAOYSA-N 318.293 -0.003 5 10 DBBE O=C(CCn1cncn1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1744430078 NHIVPSYVPLZGQA-LMLFDSFASA-N 322.325 -0.903 5 10 DBBE O=C(Cn1cnc2ccccc2c1=O)N1CCN=C1C[N+](=O)[O-] 1851795123 GRPWJRUDONKMQT-UHFFFAOYSA-N 315.289 -0.086 5 10 DBBE NNc1cc(NC[C@H]2CCS(=O)(=O)N2)cc([N+](=O)[O-])c1 2146208054 NPFAFQTVECQLPC-SSDOTTSWSA-N 301.328 -0.016 5 10 DBBE C[S@](=O)(=NC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCNCC1 2153864638 YABILGRKRIHYSD-FQEVSTJZSA-N 301.328 -0.019 5 10 DBBE NS(=O)(=O)c1cn([C@H]2CCCCNC2=O)nc1[N+](=O)[O-] 2156813050 DXFCXJJDVLZQSS-LURJTMIESA-N 303.300 -0.720 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@@H]2CS(=O)(=O)C[C@H]2O)c1[N+](=O)[O-] 2177956696 UTDXJVOAEHWMRJ-PHDIDXHHSA-N 322.730 -0.662 5 10 DBBE NNc1cc(N[C@H]2CS(=O)(=O)C[C@H]2O)cc([N+](=O)[O-])c1 2177963569 SWFAVYHQDXKYFK-VHSXEESVSA-N 302.312 -0.550 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1C(=O)CNC1=O 341865282 FOWZAVPKIXZJET-UHFFFAOYSA-N 321.293 -0.030 5 10 DBBE CN1CCN(C)[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 347884705 GQOYVXPIDNPMTB-SNVBAGLBSA-N 305.342 0.295 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1n1cc([N+](=O)[O-])c(C(=O)O)n1 696825883 ZHRCLPJJLSMRJD-RQJHMYQMSA-N 305.268 -0.526 5 10 DBBE CN(CCCNC(=O)c1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1293940562 ONHCICFIVMQLRH-GHMZBOCLSA-N 309.326 -0.336 5 10 DBBE O=C(N[C@H]1CCS(=O)(=O)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 1625088732 QGISMVKRZBPDBS-GXSJLCMTSA-N 314.319 -0.069 5 10 DBBE CCC[C@@H](O)[C@H](CO)NC(=O)Cn1c([N+](=O)[O-])cnc1C 1637672715 VQELENMBYUJLCS-VHSXEESVSA-N 300.315 -0.262 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC(O)(CO)CC1 1640062793 XJDQLSBQSXOTKY-UHFFFAOYSA-N 311.294 -0.898 5 10 DBBE NS(=O)(=O)NC1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 1643060063 MGACSHYMLAJUSV-UHFFFAOYSA-N 320.302 -0.792 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(O)n1 1721825405 OSYHUCMYKKWIEF-GRKXQCETSA-N 320.305 -0.145 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@](C)(N)CO 2181131042 ZYIOEFWZHLJQED-LLVKDONJSA-N 303.340 -0.109 5 10 DBBE NNc1ccc(S(=O)(=O)NC[C@H]2CCO2)cc1[N+](=O)[O-] 2189564365 RIOMXMWSYSVFHS-SSDOTTSWSA-N 302.312 -0.052 5 10 DBBE COCC(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 301855074 YONSNZHVZKRXRD-UHFFFAOYSA-N 320.309 -0.068 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN3CCOC[C@@H]3C2)n1 408371435 YKUHBCJISMGBDU-JTQLQIEISA-N 309.326 -0.032 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](O)COc1ccccc1 532402601 OXFGIBKEOSWIDH-JTQLQIEISA-N 321.293 -0.258 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](O)C[C@H]1C(N)=O 596621584 NNQJIBRLUBFPOB-PWSUYJOCSA-N 322.321 -0.238 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@]2(C)CO)n1 599288040 OSJCTBWRKNSTLF-JTQLQIEISA-N 304.328 -0.136 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 599289279 WRINKQFVSXQAAZ-JTQLQIEISA-N 303.296 -0.017 5 10 DBBE Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](S(N)(=O)=O)C2)n1 707386377 SKRNJMJEKGCBPF-SSDOTTSWSA-N 301.328 -0.171 5 10 DBBE NS(=O)(=O)[C@@H]1CCN(c2ncnc(Cl)c2[N+](=O)[O-])C1 707413102 GTLVIYIJQIAPTH-RXMQYKEDSA-N 307.719 -0.095 5 10 DBBE C[C@H](ONS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O 708957240 PERWYTLXGXHIPJ-YFKPBYRVSA-N 306.252 -0.017 5 10 DBBE CN(CC(=O)O)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 737979602 MNBDFDUXYJIJGV-UHFFFAOYSA-N 321.245 -0.266 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NC[C@H]2CCCO2)n1 772061775 SKDZSYKMBZENEE-MRVPVSSYSA-N 312.282 -0.220 5 10 DBBE CS[C@H](C)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1335170019 MYJMRMHUBIECJD-RXMQYKEDSA-N 308.341 -0.115 5 10 DBBE O=C(NCC12COCCN1CCOC2)c1ccc([N+](=O)[O-])[nH]1 1454287233 UWMJBMGESZFARR-UHFFFAOYSA-N 310.310 -0.246 5 10 DBBE COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)Cn1ccnn1 1626063704 KUKQNNAOCQFOMF-JTQLQIEISA-N 321.293 -0.014 5 10 DBBE COCC(=O)NCC1(O)CN(Cc2ccc([N+](=O)[O-])cc2)C1 1733493875 YECFCXKWRWVKMJ-UHFFFAOYSA-N 309.322 -0.096 5 10 DBBE O=C(COCC1CC1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1759877260 DDYMKXLSOAAIBX-GHMZBOCLSA-N 311.338 -0.157 5 10 DBBE Cc1nc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(Cl)cc1[N+](=O)[O-] 2200861646 UHOANJHVOQBGAO-UTLUCORTSA-N 303.702 -0.146 5 10 DBBE NCC(CN)NS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235866675 NUTVFTNYHRDNSR-UHFFFAOYSA-N 310.282 -0.563 5 10 DBBE CN(NS(=O)(=O)c1cccc(N)c1[N+](=O)[O-])S(C)(=O)=O 2365286079 FCHFNVYXRBGRKN-UHFFFAOYSA-N 324.340 -0.738 5 10 DBBE CNC[C@H](O)CN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O 52125875 KQJHEFOUCWBFAG-QMMMGPOBSA-N 315.307 -0.680 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC(=O)N2)c1 79937778 YRVSNDSQAWVQCL-QMMMGPOBSA-N 314.323 -0.266 5 10 DBBE O=C(O)c1cccc([N+](=O)[O-])c1O[C@H]1CS(=O)(=O)C[C@H]1O 137215534 OCLLVRBYNLNBIT-BDAKNGLRSA-N 317.275 -0.170 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCOC[C@@H]2CO)c1 168909908 ARMXCGZOUQBBQX-VIFPVBQESA-N 317.323 -0.441 5 10 DBBE CC[C@@H](CO)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 179415350 MTQHLMGPMIGEEZ-NSHDSACASA-N 311.342 -0.294 5 10 DBBE CNC(=O)[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 377140015 LQDBXBCFTFYVTN-NSHDSACASA-N 309.278 -0.113 5 10 DBBE CN(C)S(=O)(=O)N1CC(Nc2c([N+](=O)[O-])ncn2C)C1 599181421 AGGODPXDPKEHQQ-UHFFFAOYSA-N 304.332 -0.769 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(CCO)CC2)n1 599280799 MINBJLDTNSMQMQ-UHFFFAOYSA-N 304.328 -0.231 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CNC[C@@H]2O)ccc1F 699962991 PJANGPUJAAGTGW-SCZZXKLOSA-N 305.287 -0.655 5 10 DBBE COC[C@](C)(NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC 1116512889 GXFVMFXBBUQIJH-NSHDSACASA-N 300.271 -0.364 5 10 DBBE NC1=CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)N1 1134149733 FCVOJDFGMCZQRI-UHFFFAOYSA-N 301.266 -0.064 5 10 DBBE CC(C)(CNS(C)(=O)=O)NC(=O)c1cc([N+](=O)[O-])c[nH]1 1652301810 RBTFXISVSQCSHE-UHFFFAOYSA-N 304.328 -0.020 5 10 DBBE CN(CCCN1CCCC1=O)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1663180649 OFDXOZAHGLTBPW-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nc[nH]n1 1701156499 FHQDLQZPRCNUAC-RKDXNWHRSA-N 324.341 -0.316 5 10 DBBE O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc2c([nH]1)CCOC2 1703178147 LCPKENCEOMKKPU-BXKDBHETSA-N 322.321 -0.401 5 10 DBBE CN(CCNCc1cccc(C(N)=O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1731908088 DLPCWWOERSCJBM-CHWSQXEVSA-N 320.349 -0.001 5 10 DBBE CC[C@H](CS(C)(=O)=O)Nc1ncnc(NN)c1[N+](=O)[O-] 2146299892 PRDBROFZLGVOED-ZCFIWIBFSA-N 304.332 -0.095 5 10 DBBE CS(=O)(=O)c1ccc(O[C@@H](CN)C(N)=O)c([N+](=O)[O-])c1 2176306605 CBQSJXUEZZZACW-VIFPVBQESA-N 303.296 -0.810 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1[nH]c(=N)ccc1[N+](=O)[O-] 2192658224 LOOOFYXNQSACCA-SVRRBLITSA-N 301.328 -0.801 5 10 DBBE COc1nccc(O[C@@H]2CS(=O)(=O)C[C@@H]2N)c1[N+](=O)[O-] 2288652360 YAOOTAUAEDNRLD-POYBYMJQSA-N 303.296 -0.499 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2289402917 TYQSNCBTKNTGRR-CHKWXVPMSA-N 304.690 -0.812 5 10 DBBE CC(=O)N=c1[nH]onc1-c1nonc1-c1nonc1[N+](=O)[O-] 2295355903 WLMVGRNIAXZLPC-UHFFFAOYSA-N 308.170 -0.542 5 10 DBBE C[C@]1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS(=O)(=O)C1 44929819 ACBVRNABBKJEBS-QWRGUYRKSA-N 318.355 -0.681 5 10 DBBE NC(=O)[C@@H](N)Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 125088938 NMUQEJMYACPFHA-YFKPBYRVSA-N 305.088 -0.668 5 10 DBBE CS(=O)(=O)NC[C@@H]1COCCN1c1ccc([N+](=O)[O-])cn1 599186041 XWTWZZMEBYCEAU-SNVBAGLBSA-N 316.339 -0.256 5 10 DBBE CN(CCS(N)(=O)=O)C(=O)c1cccc([N+](=O)[O-])c1O 719718953 DLQRQFMYLLOKSB-UHFFFAOYSA-N 303.296 -0.339 5 10 DBBE O=C(Cn1cccn1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 940251155 OKMPGYWCWMVSMU-VXGBXAGGSA-N 321.337 -0.391 5 10 DBBE CS(=O)(=O)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1441971513 SADOLWQPONAANU-SNVBAGLBSA-N 302.308 -0.211 5 10 DBBE COc1cc(C(=O)N[C@@H]2CN(C)NC2=O)c([N+](=O)[O-])cc1F 1466410163 ODUGIRRXQUMICH-MRVPVSSYSA-N 312.257 -0.183 5 10 DBBE COC(=O)C1(NC(=O)c2c([N+](=O)[O-])cnn2C)CC(CO)C1 1472361797 NGGSELLHGAHNDT-UHFFFAOYSA-N 312.282 -0.628 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1csc([N+](=O)[O-])c1 1558636322 PVTXYZWPHZUWCP-ZETCQYMHSA-N 308.337 -0.208 5 10 DBBE O=C(NOCCO)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 1634571694 SLTLJGVTZACFIG-UHFFFAOYSA-N 307.266 -0.112 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[C@H](O)CO 1963621616 LRDQQBFMACAIOC-ZETCQYMHSA-N 308.287 -0.245 5 10 DBBE O=C1NOC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2148983161 YBVMUPFHMLXRKV-LURJTMIESA-N 321.698 -0.044 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H](O)C2)c1 2161391674 SGVZTYRESLLWCH-UWVGGRQHSA-N 302.308 -0.289 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C[C@@H]2O)c1 2164975540 CYJWJXMFDFMTGM-IEBDPFPHSA-N 302.308 -0.243 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2O)cc1 2183271674 OMBIGOWCUZVZOR-MNOVXSKESA-N 301.324 -0.404 5 10 DBBE CCN(CCO)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 37930065 ABWHHPDLGPBUFA-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE COCCNC[C@H](O)Cn1nc([N+](=O)[O-])nc1Br 231801647 AOSXOWSCIANBCT-LURJTMIESA-N 324.135 -0.454 5 10 DBBE CCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CC(=O)N(C)C1=O 338243410 AFEAXXASZJLJCO-QMMMGPOBSA-N 324.297 -0.818 5 10 DBBE O=[N+]([O-])c1cnc(=NCCN2CCCCS2(=O)=O)[nH]c1 405280042 BBDHXRVYLOYRII-UHFFFAOYSA-N 301.328 -0.356 5 10 DBBE CC(C)(CO)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 610479278 XGCXPCPKEOPIFG-UHFFFAOYSA-N 323.353 -0.018 5 10 DBBE COc1ncnc(NCC2(S(N)(=O)=O)CC2)c1[N+](=O)[O-] 714021977 NUCTXOMUANYBCQ-UHFFFAOYSA-N 303.300 -0.374 5 10 DBBE NC(=O)CN1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 804363715 IOBGYPYCEGYNOU-UHFFFAOYSA-N 323.353 -0.333 5 10 DBBE COC(=O)[C@H](CC1OCCO1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 1152686324 RBPPUOLGVAGMCH-VIFPVBQESA-N 313.266 -0.043 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@@H](CO)[C@@H](CCO)C1 1305753820 SWTRYBJQYBLOSL-QWRGUYRKSA-N 312.326 -0.369 5 10 DBBE NS(=O)(=O)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] 1441561428 KMIUXNRUYUFMPR-UHFFFAOYSA-N 305.287 -0.319 5 10 DBBE CN1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@@H]21 1460228815 JKIREZDZEQVQQM-PWSUYJOCSA-N 306.322 -0.081 5 10 DBBE CN(C)C(=O)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1528438600 CGZKDYXXWZTRHI-SNVBAGLBSA-N 322.321 -0.307 5 10 DBBE CN(C)S(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 1627034093 BVCZFOLQAOCPBQ-UHFFFAOYSA-N 305.316 -0.951 5 10 DBBE C[C@H]1CO[C@H](CO)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1630519989 NYANQQYBESNRPP-UWVGGRQHSA-N 311.294 -0.635 5 10 DBBE CS(=O)(=O)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 1637418353 UQUPSAXRSXOORG-ZETCQYMHSA-N 302.312 -0.175 5 10 DBBE CCN=c1cc([N+](=O)[O-])cc(N[C@H](C)CS(N)(=O)=O)[nH]1 2152951401 CLHDVKRDHJOZFJ-SSDOTTSWSA-N 303.344 -0.068 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(N[C@H]2CS(=O)(=O)C[C@H]2O)[nH]1 2177958889 LNBWJPPURWKLGA-POYBYMJQSA-N 302.312 -0.977 5 10 DBBE CN(C)S(=O)(=O)C1CN(c2nccc(N)c2[N+](=O)[O-])C1 2187315393 YZINVCTWVAYPNW-UHFFFAOYSA-N 301.328 -0.348 5 10 DBBE O=CN[C@@H](C[S@](=O)Cc1ccc([N+](=O)[O-])cn1)C(=O)O 2195294463 JKIHYRNJJXZFDH-GWNMQOMSSA-N 301.280 -0.562 5 10 DBBE CO[C@@H]1CNC[C@@H]1S(=O)(=O)Nc1ncccc1[N+](=O)[O-] 2202433279 FSMVTYXKMFCGPZ-BDAKNGLRSA-N 302.312 -0.282 5 10 DBBE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ncccc1[N+](=O)[O-] 2286053991 XVPDJUIBAQHRAF-LURJTMIESA-N 304.284 -0.768 5 10 DBBE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ccccc1[N+](=O)[O-] 2286057194 GIPOSYOGRNZHND-ZETCQYMHSA-N 303.296 -0.163 5 10 DBBE Cc1cc(=N[C@H](CS(C)(=O)=O)C(=O)O)c([N+](=O)[O-])c[nH]1 2360619204 MDTXEOCWZFHJGT-MRVPVSSYSA-N 303.296 -0.370 5 10 DBBE CN1CCN(S(=O)(=O)c2cccc(NN)c2[N+](=O)[O-])CC1 126650499 PPDPXWMXXCBWAH-UHFFFAOYSA-N 315.355 -0.184 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN2C[C@H](O)C[C@H]2C1 594394650 YYTFLHJCTSOZNE-WDEREUQCSA-N 309.326 -0.623 5 10 DBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOC1 597722930 IXPJAVYZQBUSQH-UHFFFAOYSA-N 315.307 -0.311 5 10 DBBE CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cn1 1455075918 CLROCPWFGBHGAR-JTQLQIEISA-N 323.309 -0.240 5 10 DBBE CC(C)NC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1493914541 SQLJCFNTPIWNTP-WUHRBBMRSA-N 324.381 -0.149 5 10 DBBE CCn1cc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1568847876 AQLNHYMGQFUVFW-OPVGQWETSA-N 308.342 -0.275 5 10 DBBE Cc1[nH]nc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)c1[N+](=O)[O-] 1629589875 AGBGXDVYPAVJFF-PSASIEDQSA-N 310.358 -0.010 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ncccn1 1714769800 AZBHTJWCIRUGCD-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(NN)c2)COC1 2189273645 YSIXPXCGGSOXDO-UHFFFAOYSA-N 302.312 -0.052 5 10 DBBE C[C@H]1CN(S(=O)(=O)Nc2cc([N+](=O)[O-])ccn2)CCN1 2202450648 OFXHYIYCUQSBBC-QMMMGPOBSA-N 301.328 -0.060 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1OC1(CN)CS(=O)(=O)C1 2283037363 DNYKBRFQGFRHIV-UHFFFAOYSA-N 304.328 -0.376 5 10 DBBE CCOC(=O)[C@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599258129 NMKMRRFNJRWBAQ-SSDOTTSWSA-N 320.327 -0.194 5 10 DBBE COCCN1CCC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 609268825 DMAHIGHFJHLRKU-JTQLQIEISA-N 312.330 -0.587 5 10 DBBE C[C@H](CS(C)(=O)=O)N(C)c1nc(NN)ncc1[N+](=O)[O-] 688533105 JKOASXCRDMPMDV-ZCFIWIBFSA-N 304.332 -0.460 5 10 DBBE NNc1ccc([N+](=O)[O-])c(N2CC[C@@H](S(N)(=O)=O)C2)n1 707418815 VOYAQAFTMVUPCS-ZCFIWIBFSA-N 302.316 -0.857 5 10 DBBE CN(c1nc(N)ncc1[N+](=O)[O-])C1CC(S(C)(=O)=O)C1 716122466 GXQBBOCEQAEJCE-UHFFFAOYSA-N 301.328 -0.021 5 10 DBBE COCCNC(=O)C1(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 1637532419 YVMFSZIWPDGCDY-UHFFFAOYSA-N 311.298 -0.647 5 10 DBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@@H](CO)[C@@H](O)C1 1642401836 PDZKOBYPAHTDQI-GWCFXTLKSA-N 320.305 -0.244 5 10 DBBE CN(CCNC(=O)c1cnn(C)n1)c1ccc([N+](=O)[O-])cn1 1690127251 JMTLAMMSTZJYBV-UHFFFAOYSA-N 305.298 -0.016 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CCOC[C@@H]1[C@@H](O)CO 2146326531 OZPYNHQLBNNPJK-SFYZADRCSA-N 302.308 -0.150 5 10 DBBE CCOC(=O)[C@H](N)C[S@](=O)Cc1nn(C)cc1[N+](=O)[O-] 2195298767 PATNCDXFZXCHJH-GLEHDBDLSA-N 304.328 -0.533 5 10 DBBE O=[N+]([O-])c1ccccc1S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 36532538 SZAOZNVCHHBUDZ-WZQZWDJBSA-N 317.319 -0.513 5 10 DBBE CNCc1ccc(O[C@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c1 37703136 CKGFURDUDDHVAN-JQWIXIFHSA-N 316.335 -0.149 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CNCCSCCCO)c1 230788935 HGTMVGPGGRYNTB-NSHDSACASA-N 304.372 -0.143 5 10 DBBE O=C(NCC(=O)N1CCOCC1)c1cccc(O)c1[N+](=O)[O-] 281100060 VTXSOZAJVZDPSG-UHFFFAOYSA-N 309.278 -0.111 5 10 DBBE NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCn1ccnn1 302192577 RMZLEUGEDIPCJN-UHFFFAOYSA-N 312.311 -0.054 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1F 323522588 UNXIMJPSBSLAJZ-SCZZXKLOSA-N 306.271 -0.228 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2c(n1)OCCO2 598117606 VIGBYTDBFVGAGW-UHFFFAOYSA-N 306.238 -0.009 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CCC(=O)O)C2CC2)n1 600655101 IKAIPWPHBFBLRT-UHFFFAOYSA-N 318.311 -0.044 5 10 DBBE O=CN1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 848459914 XOEXOHZPJAABMA-UHFFFAOYSA-N 314.323 -0.157 5 10 DBBE Cn1[nH]c([C@@H]2CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)nc1=N 1116960819 ZTCRZGZXDBDJKF-QMMMGPOBSA-N 320.313 -0.304 5 10 DBBE CN1CC(N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C1 1350550305 NFKWSQSEDNLLCK-UHFFFAOYSA-N 308.342 -0.751 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC(=O)CN1CCCCS1(=O)=O 1544710802 KAZTZKHNSKNQEV-UHFFFAOYSA-N 317.327 -0.308 5 10 DBBE Cc1ncc(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 1703577632 AXZUJRRALZJDRD-MWLCHTKSSA-N 309.326 -0.038 5 10 DBBE O=C(CCn1ccnn1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1705028826 POJZHXGDYMDGBT-JLVKAVFRSA-N 322.325 -0.878 5 10 DBBE Cc1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)nn1 1758171597 IMCVIHIBQBELEE-VXGBXAGGSA-N 321.337 -0.005 5 10 DBBE O=[N+]([O-])c1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1F 2177840430 WHHYTQMVGBWEOF-KOLCDFICSA-N 304.299 -0.019 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H]2CCS(=O)(=O)C2)c1 38083855 IJQUBZUTIQCYJI-KOLCDFICSA-N 318.355 -0.824 5 10 DBBE CNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N[C@H](C)C(N)=O 50656907 DJXGYWICHUYXMS-RXMQYKEDSA-N 320.302 -0.072 5 10 DBBE CNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cnc1Cl 230994609 VYPUFOORNSSTHL-UHFFFAOYSA-N 322.730 -0.078 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H](N2CCCS2(=O)=O)C1 377201544 LVSFEFWMIVBHPL-GMTAPVOTSA-N 317.367 -0.322 5 10 DBBE CCOC(=O)[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC12COC2 452256031 GUMIMORSPYIUOZ-QMMMGPOBSA-N 324.293 -0.030 5 10 DBBE Cn1c(C(=O)Nc2n[nH]c(N3CCNCC3)n2)ccc1[N+](=O)[O-] 580071854 CGASFLURHQYNKT-UHFFFAOYSA-N 320.313 -0.287 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)N=c1cc[nH]cc1[N+](=O)[O-] 596817817 SDLZLZSORGJDKF-WCBMZHEXSA-N 310.266 -0.136 5 10 DBBE COC(=O)c1cc(C(=O)N2CC(O)(CO)C2)cc([N+](=O)[O-])c1 597705399 MHKMDFUHLGLHNV-UHFFFAOYSA-N 310.262 -0.439 5 10 DBBE COC[C@@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619485513 CNIHJUYKMIXVMW-QMMMGPOBSA-N 320.323 -0.111 5 10 DBBE C[C@@H](O)[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 717413957 GYQOZMKGZSXIQN-LDWIPMOCSA-N 308.287 -0.246 5 10 DBBE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 1318549826 ROQRICIFYOSOLJ-MRVPVSSYSA-N 319.343 -0.532 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 1440965636 GOKDFDUDZAXOMJ-MRVPVSSYSA-N 315.307 -0.940 5 10 DBBE C[S@](=O)C1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1448249178 NNLLVEIULKXZHB-NRFANRHFSA-N 313.335 -0.216 5 10 DBBE CN(CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1 1494217442 CLOTUEVEEIVENX-LYIQGSDWSA-N 324.381 -0.101 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(S(C)(=O)=O)C1 1626519703 QZSOWCJJIUIXAD-UHFFFAOYSA-N 316.339 -0.255 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@@H]2C1=O 1642839836 QUPRUXAGJOAHRX-DTORHVGOSA-N 318.289 -0.136 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC(NCC(F)(F)F)C1 1648189639 HADOJRCGBXQAFI-UHFFFAOYSA-N 322.247 -0.015 5 10 DBBE O=C(NCC1(O)CN(CCCCCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1716936301 JRBOGGBECRHSGA-GHMZBOCLSA-N 303.334 -0.046 5 10 DBBE C[C@@H]1CNC[C@@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1926061826 YDKZKPXPUYTKTI-SPGJFGJESA-N 320.103 -0.032 5 10 DBBE C[C@@]1(O)CON(S(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)C1 2149826327 DKMNXYBOZDBWNP-QMMMGPOBSA-N 324.340 -0.371 5 10 DBBE Nc1cc(N2CCC[C@H]2CS(N)(=O)=O)ncc1[N+](=O)[O-] 2165863842 IGIXCACSRLDAJT-ZETCQYMHSA-N 301.328 -0.171 5 10 DBBE O=C(NCC1(CO)CNC1)c1cc(Cl)ncc1[N+](=O)[O-] 2201718412 ZFNJRHWKBTVTPR-UHFFFAOYSA-N 300.702 -0.045 5 10 DBBE COC[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 234810795 GFBMLAPPSXOWRO-QMMMGPOBSA-N 320.323 -0.111 5 10 DBBE CC1(C)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCN1CCO 302557599 SFWPUGQLNCCPCB-UHFFFAOYSA-N 323.353 -0.018 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593549246 SJEBTDDIDVMTOM-QMMMGPOBSA-N 300.296 -0.501 5 10 DBBE C[C@H]1C[C@H](CN)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599099875 FXHPMYBMOVTRKQ-JGVFFNPUSA-N 303.344 -0.314 5 10 DBBE COC[C@H](O)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722277869 KRBMHOATYIMVSO-SSDOTTSWSA-N 305.312 -0.537 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N[C@](C)(Cn1cccn1)C(N)=O 1134803195 CPECLHQYPKJUIY-CYBMUJFWSA-N 320.309 -0.196 5 10 DBBE O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1c(F)cncc1F 1283004263 ABLOGRCRYIMTID-HZGVNTEJSA-N 314.248 -0.129 5 10 DBBE CC(C)(C(=O)N1CC2(CNC(=O)O2)C1)n1cc([N+](=O)[O-])cn1 1557104625 DUVVXFZVWWSSLW-UHFFFAOYSA-N 309.282 -0.153 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC(CO)(CO)C1 1585845575 NWECSKUMLJAOQY-UHFFFAOYSA-N 304.690 -0.212 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](O)[C@@H](CO)C1 1612468442 HMHLELQEBVALHF-LDYMZIIASA-N 316.335 -0.212 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H](CO)[C@@H](CCO)C1 1620676834 FAPNMUKFHIOQKA-RYUDHWBXSA-N 311.338 -0.321 5 10 DBBE CCc1[nH]nc(C(=O)N2CC(O)(c3nccn3C)C2)c1[N+](=O)[O-] 1643444931 CZVSBYIYLUEJGU-UHFFFAOYSA-N 320.309 -0.043 5 10 DBBE CN(CC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(C)(C)C 1686589237 MHVOBZNTKQIOGH-GHMZBOCLSA-N 314.386 -0.138 5 10 DBBE O=C(NCC1(NCC(=O)N2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1699652032 ZYZNZSOVMWQKEF-GHMZBOCLSA-N 310.354 -0.488 5 10 DBBE Nc1sc(S(=O)(=O)N(CCO)C2COC2)cc1[N+](=O)[O-] 1915534083 BBAAOGIPPVBKDW-UHFFFAOYSA-N 323.352 -0.380 5 10 DBBE C[C@]1(O)CON(S(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)C1 2149798033 YMOJFCCZKQEVHP-SNVBAGLBSA-N 303.296 -0.136 5 10 DBBE CCNC(=O)CCn1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C 2156818387 SUPIMJTZFMWHHZ-UHFFFAOYSA-N 305.316 -0.727 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2174116571 OQQFZQZSRHGIFT-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE C[C@@H](O)[C@H](CO)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 2174121925 WIXUHRQKAQJLMW-MUWHJKNJSA-N 305.312 -0.803 5 10 DBBE Cc1cc(=N[C@@H]2COC[C@@H]2S(C)(=O)=O)c([N+](=O)[O-])c[nH]1 2207466339 QVUKELYTEOWAFP-KOLCDFICSA-N 301.324 -0.056 5 10 DBBE O=C(O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCO1 70302122 XJUCOUYQPPZDQP-MRVPVSSYSA-N 317.279 -0.536 5 10 DBBE COCCCOC1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 184657744 FASYAUXZYMLUCN-GFCCVEGCSA-N 314.342 -0.111 5 10 DBBE C[S@@](=O)CCCNC(=O)c1cc([N+](=O)[O-])ncc1NN 312249962 VTAGUBYFBJRBGK-HXUWFJFHSA-N 301.328 -0.226 5 10 DBBE CN1CCN(Cc2cccc([N+](=O)[O-])c2NN)S1(=O)=O 312383495 NOFMKAZPUYQQBS-UHFFFAOYSA-N 301.328 -0.127 5 10 DBBE O=c1ccc([N+](=O)[O-])cn1CCN1CCn2c(O)nnc2C1 354932827 UAKOQSIHPACDNE-UHFFFAOYSA-N 306.282 -0.431 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3C[C@]3(C(=O)O)C2)n1 600660390 ULPDCYFSFTXSFD-LDWIPMOCSA-N 316.295 -0.577 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc(F)ncc1[N+](=O)[O-] 689012967 KUNHFLDHUYIBOA-IYSWYEEDSA-N 306.275 -0.252 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 1116837984 QIQAKECYKBBVNB-ZCFIWIBFSA-N 303.300 -0.918 5 10 DBBE Cc1cnn(CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 1285910327 LDFXMNRWZHCLMZ-GHMZBOCLSA-N 321.337 -0.378 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)n1 1324303270 QXFJVEORALCRNQ-QMMMGPOBSA-N 316.339 -0.165 5 10 DBBE NC(=O)c1ccnc(N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] 1327194279 FYFZJCKSZKYNDJ-DTWKUNHWSA-N 307.310 -0.656 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(C(=O)O)CCCOC1 1331828335 WQNKNIPAWXWAAM-LBPRGKRZSA-N 312.282 -0.061 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cncn1C 1355591902 LAKPHUJNIPUUKG-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)C1 1455086145 UFBKRLCZHSHXLN-UHFFFAOYSA-N 320.261 -0.169 5 10 DBBE COC(=O)CN(C)CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1466112070 ZMBSCMKTXUEULU-UHFFFAOYSA-N 319.705 -0.194 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 1597968786 XPKMYRKXNHMWLC-KYZUINATSA-N 316.339 -0.208 5 10 DBBE COc1cc(C(=O)NCCOCC(N)=O)c([N+](=O)[O-])cc1F 1631277038 HBEFBAOOCSSPMY-UHFFFAOYSA-N 315.257 -0.026 5 10 DBBE C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[S@]1=O 1638516005 MUAJJQKDHPIGJU-ZPWHCFADSA-N 301.328 -0.444 5 10 DBBE CCn1cc(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1687003899 RMTFKZAWDKXXMJ-VXGBXAGGSA-N 323.353 -0.267 5 10 DBBE Cc1cc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1C 1733498698 ARJWUYBHGAFYDS-VXGBXAGGSA-N 323.353 -0.943 5 10 DBBE Cc1nc([N+](=O)[O-])c(N[C@H]2COC[C@H]2S(C)(=O)=O)n1C 2207482705 MHIDLVIWOWPIQV-JGVFFNPUSA-N 304.328 -0.139 5 10 DBBE Cc1ccc(S(=O)(=O)N(C)[C@@H]2CNC[C@H]2O)cc1[N+](=O)[O-] 36266850 DFCZRQCYSSABNW-VXGBXAGGSA-N 315.351 -0.144 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCS(N)(=O)=O 50707558 AOSYBRNSMLQKOF-UHFFFAOYSA-N 302.312 -0.415 5 10 DBBE CNc1cccc(S(=O)(=O)N[C@@H](C)C(N)=O)c1[N+](=O)[O-] 126924007 HJIIJDLSSHONHF-LURJTMIESA-N 302.312 -0.211 5 10 DBBE COCCO[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 338271439 MYYSYGVYEBWKDI-SNVBAGLBSA-N 313.314 -0.160 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN([C@@H]2CCOC2)CC1 372933147 YLCFQSYROSQWCY-SNVBAGLBSA-N 321.337 0.000 5 10 DBBE C[C@@H](C[S@@](C)=O)NC(=O)c1cc([N+](=O)[O-])ncc1NN 379843017 KDJCRUOLWSXYGB-SXPOAWKSSA-N 301.328 -0.228 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CCN)C(F)F)n1 599109792 YNVILKSDCUFLOL-YFKPBYRVSA-N 313.286 -0.411 5 10 DBBE CN(C)S(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])cn1C 1157119898 GUIIREUABZJAHJ-UHFFFAOYSA-N 319.343 -0.941 5 10 DBBE CN(CC1CC1)C(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1269411755 RVOANEKBXKMGLS-VXGBXAGGSA-N 324.381 -0.242 5 10 DBBE CCN1CCN(C2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 1348454104 GBRPSOINPDVTDL-UHFFFAOYSA-N 322.369 -0.360 5 10 DBBE CN(CCCNC(=O)c1cnsn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1351280796 DSSZEMOSYYRZPU-VXNVDRBHSA-N 313.339 -0.218 5 10 DBBE COc1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 1533460173 UFDQSUHALKMKQE-KHVQUVQLSA-N 324.293 -0.249 5 10 DBBE COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCOC1 1558830999 PJWRVZGPBPZZLF-SFYZADRCSA-N 312.282 -0.127 5 10 DBBE CN(CCNc1ncc([N+](=O)[O-])cn1)CCS(C)(=O)=O 1612844789 QGNVCGKVJMYAKM-UHFFFAOYSA-N 303.344 -0.227 5 10 DBBE CCNc1ncnc(N2CC(S(N)(=O)=O)C2)c1[N+](=O)[O-] 1914971944 DGMHXEPXWYDECN-UHFFFAOYSA-N 302.316 -0.706 5 10 DBBE N=c1[nH]nc(S(=O)(=O)N=c2cc[nH]cc2[N+](=O)[O-])s1 2137704544 QGQPWLLRRPONQC-UHFFFAOYSA-N 302.297 -0.523 5 10 DBBE O=C(NCC1(O)CS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 2283095428 OKNUHXFOSIZJQN-UHFFFAOYSA-N 300.292 -0.516 5 10 DBBE CNc1ccc(S(=O)(=O)NCCC(N)=O)c([N+](=O)[O-])c1 50656341 VTETZACAXGTHAX-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE C[C@@](O)(CO)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 90287571 QKDMIOUXAUMGJQ-NSHDSACASA-N 304.324 -0.243 5 10 DBBE CNS(=O)(=O)c1ccc(NOCC(=O)O)c([N+](=O)[O-])c1 130622076 YHIKBGDNILKVRG-UHFFFAOYSA-N 305.268 -0.069 5 10 DBBE O=C1CCCN1CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594793600 DYRSRFBVHALJGA-UHFFFAOYSA-N 314.323 -0.110 5 10 DBBE C[C@@H]1C(=O)N(C)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596290304 BEZYOAHLIPHVMT-SSDOTTSWSA-N 314.323 -0.133 5 10 DBBE COC[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 599242595 OXDVSWHKXMLDRG-MRVPVSSYSA-N 320.327 -0.636 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N[C@H]1CNC[C@@H]1O 699961416 DRKZHNJNCMURIN-CBAPKCEASA-N 305.287 -0.655 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1[C@H]2CCC[C@H]21 1323615498 JROMHJIXLXURIU-URLYPYJESA-N 307.310 -0.178 5 10 DBBE CCn1ccnc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1522896610 ZKNZVXLOHVIASU-NXEZZACHSA-N 309.326 -0.196 5 10 DBBE O=C(NCCN(C(=O)c1cccnn1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1704399424 LIFCIZGVQYPNOQ-ZYHUDNBSSA-N 319.321 -0.137 5 10 DBBE O=C1COCCN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2152200730 KSWNUJLGWKBCRO-UHFFFAOYSA-N 301.280 -0.420 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC(F)(CO)C2)c1 2172924952 PKQCFLXHUROCQX-UHFFFAOYSA-N 305.287 -0.118 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNC[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)n1 2174622523 UAUOMQFEDRNALX-AYMMMOKOSA-N 300.340 -0.292 5 10 DBBE C[P@]1(=O)C[C@@H](O)[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 2177807638 CRYHFOXGVRLWJO-PNOQFWAASA-N 302.227 -0.357 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2CCNC(=O)C2)cc1[N+](=O)[O-] 2186333843 ZJUKHBKHCMVDMQ-RXMQYKEDSA-N 320.352 -0.205 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@](O)(CO)[C@H](O)C1 2234105026 KUNFLPQWEAGCPL-LDYMZIIASA-N 302.308 -0.414 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)[C@@H]2CCCNC2)n1 2240627697 VCDQKEWWBMBIIQ-MRVPVSSYSA-N 303.344 -0.500 5 10 DBBE Nc1sc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1[N+](=O)[O-] 125461958 OVHJUGPYGDBIKX-YFKPBYRVSA-N 320.352 -0.205 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 136168094 ZOPCCILUDGROQQ-BYPYZUCNSA-N 323.356 -0.516 5 10 DBBE CNC(=O)COc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1OC 215846935 FBEKEJJBLVJEJG-UHFFFAOYSA-N 319.295 -0.624 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)CO)CC2)n1 427706549 MUEUWBGIGARCET-UHFFFAOYSA-N 311.298 -0.912 5 10 DBBE C[C@@H](CN1CCOCC1)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 447656788 ODLDZVRGMQKKCU-JTQLQIEISA-N 312.330 -0.635 5 10 DBBE COC(=O)[C@H](CF)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593596391 QXWDWQWGRDXPMG-ZETCQYMHSA-N 307.259 -0.221 5 10 DBBE CC(C)[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCN1 599099837 DQXXKZBHKVTPNK-SECBINFHSA-N 317.371 -0.053 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@@H](N)C2)n1 599101201 MVFDNXKTPNKNON-HTQZYQBOSA-N 303.344 -0.124 5 10 DBBE CN1CCOC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 600421378 NORXCMXKDZGHHA-LLVKDONJSA-N 310.310 -0.797 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cc([N+](=O)[O-])cc(N)n1 696995354 MJHLVRFZHPVUCL-JGVFFNPUSA-N 302.312 -0.204 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(c2nc(N)ncc2[N+](=O)[O-])C1 703162958 NZVLPZXJZYJZLH-ZCFIWIBFSA-N 302.316 -0.905 5 10 DBBE CNS(=O)(=O)c1ccc(N[C@@H]2CNOC2)c([N+](=O)[O-])c1 722493089 PQINXSVGSDSXSY-SSDOTTSWSA-N 302.312 -0.182 5 10 DBBE CC(C)(F)C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1280554310 NTFLZCQLYWYCSW-RKDXNWHRSA-N 317.317 -0.521 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)n1 1324303268 QXFJVEORALCRNQ-MRVPVSSYSA-N 316.339 -0.165 5 10 DBBE C[C@@H](N)[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 1334933984 LCUOOLXRISZJNH-APPZFPTMSA-N 319.343 -0.935 5 10 DBBE CN(CCN1CCOCC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 1443155194 GBFUHKLADDCADH-UHFFFAOYSA-N 309.326 -0.024 5 10 DBBE CCN(CCNC(=O)c1cn(C)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1528834580 SKKICZSSGZFECT-PSASIEDQSA-N 310.314 -0.941 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCCn2cccnc2=O)n1 1568698648 OGBXGKBFDFPUHH-UHFFFAOYSA-N 306.282 -0.295 5 10 DBBE CCc1[nH]nc(C(=O)N2CC(S(C)(=O)=O)C2)c1[N+](=O)[O-] 1642820750 OKUVWJQJKNGXPC-UHFFFAOYSA-N 302.312 -0.251 5 10 DBBE CCN(CC)C(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1733243815 UNZDLPVLPGEXDI-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE COC(=O)NCCOCCOCCOCCOCC[N+](=O)[O-] 2060438932 WYBNPCVPUFVMHL-UHFFFAOYSA-N 324.330 -0.315 5 10 DBBE N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2148815660 HKEBLCASRFYJAY-BDAKNGLRSA-N 302.312 -0.616 5 10 DBBE N[C@H]1COCCN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2152197966 UUMBMCWIKZGJHY-MRVPVSSYSA-N 302.312 -0.662 5 10 DBBE Cc1[nH]ccc(=N[C@H]2CNC[C@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2192656208 JWGIOONSYIPGAG-VHSXEESVSA-N 300.340 -0.483 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1ccc([N+](=O)[O-])c(N)c1 2192681432 UWDVKOBYMDXOIC-GXSJLCMTSA-N 300.340 -0.026 5 10 DBBE CO[C@H]1CCS(=O)(=O)N(Cc2nn(C)cc2[N+](=O)[O-])C1 2196037975 PQMHJOKCKLTTRK-QMMMGPOBSA-N 304.328 -0.121 5 10 DBBE Cc1[nH]c(=NC[C@@H]2NC[C@H](O)[C@@H]2O)c(Cl)cc1[N+](=O)[O-] 2233970347 DBUPECYHBNARRY-UJNFCWOMSA-N 302.718 -0.521 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289413789 RKKGMEIPKLCFEF-MATHAZKKSA-N 302.308 -0.558 5 10 DBBE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)O 21059987 XLDGOWJWFXHCKC-CDUCUWFYSA-N 322.270 -0.154 5 10 DBBE CO[C@H]1CNC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 36265049 CHCQOYNHZNRNRQ-ZJUUUORDSA-N 319.314 -0.001 5 10 DBBE CN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 37116878 JHGUGYSKHTYEHU-UHFFFAOYSA-N 303.344 -0.280 5 10 DBBE NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccnc(Cl)c1[N+](=O)[O-] 88804651 BMMZGUHRPYSIQF-CAHLUQPWSA-N 314.685 -0.296 5 10 DBBE CN(C)S(=O)(=O)CCNc1nc(NN)ccc1[N+](=O)[O-] 231021362 NQGQXDYCMLGMNG-UHFFFAOYSA-N 304.332 -0.421 5 10 DBBE CN1CCO[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 284384269 GGVWEEZRSNOJNO-NWDGAFQWSA-N 309.326 -0.277 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CNCCO2)nc1 595109837 VATLCFHNSQUCOU-SECBINFHSA-N 302.312 -0.744 5 10 DBBE C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 711092963 FXIGZOWSXZYROB-ZCFIWIBFSA-N 303.296 -0.205 5 10 DBBE CN1CC2(CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)OC1=O 1630224621 ALRTUYBEHNZWHR-UHFFFAOYSA-N 309.282 -0.156 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 1635437928 LIGIZTJNERXYEY-UHFFFAOYSA-N 302.312 -0.413 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CN1CC(O)(CNC(=O)C(F)F)C1 1724430685 RFEYAWHZAYOHJU-UHFFFAOYSA-N 319.268 -0.744 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CCOC[C@H]1[C@H](O)CO 2146328157 DDNPGZYFBCSSQQ-DTWKUNHWSA-N 302.308 -0.150 5 10 DBBE NC[C@H]1COCCN1S(=O)(=O)c1cncc([N+](=O)[O-])c1 2153168719 SVVZRKYGKNHJHA-VIFPVBQESA-N 302.312 -0.662 5 10 DBBE CN=c1[nH]c(N[C@@H]2CCCS(=O)(=O)C2)ncc1[N+](=O)[O-] 2157681929 KLRINGPHKNBQDN-SSDOTTSWSA-N 301.328 -0.163 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@](C)(N)CO 2181129108 LDILLPSPMDELSS-LLVKDONJSA-N 303.340 -0.109 5 10 DBBE O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1NC[C@@H](O)[C@H]1O 2201147601 BJZARKIKZFYIBG-SZEHBUNVSA-N 301.686 -0.120 5 10 DBBE COC[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])s1 2233866211 OVAGMWUXZRXLBN-FWWHASMVSA-N 302.308 -0.151 5 10 DBBE Cc1nc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c(=O)[nH]c1C 159752826 PMGYROWFVYERRS-UHFFFAOYSA-N 306.282 -0.079 5 10 DBBE O=C1C[C@@]2(CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CN1 408248417 VDRFSWZRUHCJTE-ZDUSSCGKSA-N 307.310 -0.080 5 10 DBBE NC(=O)CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1=O 459694108 IPDJYNVXYAELMS-UHFFFAOYSA-N 322.321 -0.397 5 10 DBBE COc1cc([N+](=O)[O-])ccc1CN1CCN(CC(N)=O)C(=O)C1 459724879 KMDOYODJFBVIGN-UHFFFAOYSA-N 322.321 -0.267 5 10 DBBE COC[C@H](CCO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594765327 KGVDALPHTVWNQK-QMMMGPOBSA-N 305.312 -0.335 5 10 DBBE CCN1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O 599298223 VZJSLGOWJDQFDM-UHFFFAOYSA-N 303.300 -0.861 5 10 DBBE C[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599329753 QPSPANNKDDDXEK-DTWKUNHWSA-N 318.355 -0.033 5 10 DBBE CC(C)(CNS(C)(=O)=O)Nc1nc(N)ncc1[N+](=O)[O-] 708247470 ZXYDGQPELJRKOO-UHFFFAOYSA-N 304.332 -0.293 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C[C@H](C)O)[C@@H](C)CO 1161163591 FTGDIYUAZDSNCL-IUCAKERBSA-N 300.315 -0.310 5 10 DBBE CCS(=O)(=O)C1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 1307117120 RWUCMJLAFLADOE-UHFFFAOYSA-N 314.323 -0.288 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)n1 1449949952 QTTJBXQZNJKQJK-DTORHVGOSA-N 304.262 -0.357 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn2c1CCC2 1528110347 IBNRGYHQFOCQRI-BXKDBHETSA-N 321.337 -0.317 5 10 DBBE COC(=O)c1cc(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)cc([N+](=O)[O-])c1 1558438843 UDORHDUURBKDRU-WLLOZRIZSA-N 324.289 -0.005 5 10 DBBE O=C(c1ccccc1[N+](=O)[O-])N1CCN(C[C@@H](O)CO)CC1 1618222392 UDQDLGAGMVMRNZ-LLVKDONJSA-N 309.322 -0.294 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@](O)(C(F)F)C1 1641044440 BOIZKVGDWBJBRX-GFCCVEGCSA-N 317.248 -0.015 5 10 DBBE CCOCCNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1724357461 ZYXOZXZECGKFBR-VXGBXAGGSA-N 315.370 -0.057 5 10 DBBE Cn1nnc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)n1 1724787655 ZEVSOIUISWJKNP-RKDXNWHRSA-N 309.330 -0.996 5 10 DBBE Cn1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cnc1[N+](=O)[O-] 1892369414 RRICPYWYKJORCN-UHFFFAOYSA-N 317.327 -0.954 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1N1CC2(C1)OC[C@H](O)[C@@H]2O 2183637347 LEGWPGSLBWHUAO-CBAPKCEASA-N 301.686 -0.046 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nnn[nH]1 44930810 PLFOWTWNNYKRQY-UHFFFAOYSA-N 314.283 -0.405 5 10 DBBE Nc1cccc(S(=O)(=O)N[C@H]2CCC(=O)NC2)c1[N+](=O)[O-] 127004238 KZJDHZHRDKOPOE-ZETCQYMHSA-N 314.323 -0.266 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NN1CCOCC1 148569911 GZHUBHJQMATJGC-UHFFFAOYSA-N 317.327 -0.594 5 10 DBBE C[C@@H]1CC[C@H](C(N)=O)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 247181796 BJKMKCXSQHTEAF-JFGNBEQYSA-N 311.342 -0.262 5 10 DBBE C[C@@H](CN1CCOCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 273109853 QZIIBLDIIGCUKA-NSHDSACASA-N 311.342 -0.124 5 10 DBBE COC(=O)CN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 301939503 SZQPECHDDNDWNB-UHFFFAOYSA-N 320.309 -0.068 5 10 DBBE C[C@H]1[C@@H](Nc2ncnc(NN)c2[N+](=O)[O-])CCS1(=O)=O 312912451 BBBODJCNXDOYKZ-WDSKDSINSA-N 302.316 -0.342 5 10 DBBE CN(C)[C@]1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCSC1 360355483 YXFAVMIJVHFOEF-NSHDSACASA-N 314.371 -0.260 5 10 DBBE Nc1nccc(C(=O)N2CCN(C3CC3)C(=O)C2)c1[N+](=O)[O-] 572422060 RIQYDQJOZVQKHW-UHFFFAOYSA-N 305.294 0.019 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@](C)(CN)C2)n1 599105427 HFZZBNDFSKLTSQ-SNVBAGLBSA-N 303.344 -0.312 5 10 DBBE CN(C)S(=O)(=O)N1CC(N=c2cc[nH]cc2[N+](=O)[O-])C1 599182721 QTVJRKKDNAFZQU-UHFFFAOYSA-N 301.328 -0.686 5 10 DBBE CCOc1ncccc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1292718348 OCVRPQQRZMVXBD-GHMZBOCLSA-N 322.321 -0.009 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(O)(C(F)F)CC1 1320491718 XDYPCYWIWVLQJC-UHFFFAOYSA-N 305.241 -0.195 5 10 DBBE CCS(=O)(=O)CCN(C)C(=O)Cn1c([N+](=O)[O-])cnc1C 1447313193 BYEKWRVJRCQXQY-UHFFFAOYSA-N 318.355 -0.007 5 10 DBBE CN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CS(=O)(=O)C1 1454442471 DSUUCYIIFFACSM-UHFFFAOYSA-N 300.296 -0.559 5 10 DBBE COCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(F)F 1488535737 DIVWAVUNOBMDDO-HTQZYQBOSA-N 309.269 -0.492 5 10 DBBE O=C(CO)NCCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1633006276 FJSAJGPYQOWIIT-UHFFFAOYSA-N 323.305 -0.317 5 10 DBBE CC[C@@H](CS(C)(=O)=O)N=c1[nH]c(NN)ncc1[N+](=O)[O-] 2146300152 SAXSBXRPPZSEDM-LURJTMIESA-N 304.332 -0.673 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2COC[C@H]2CO)c1 2146507288 ZENTYTQGDBYMOH-XCBNKYQSSA-N 303.296 -0.725 5 10 DBBE CN1C[C@H](O)[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)C1 2146527988 IOUPYYBQCQLXQJ-VDTYLAMSSA-N 322.368 -0.808 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2CCNC[C@H]2F)c1 2146549634 HKTQMUAHXUJIBW-NXEZZACHSA-N 304.303 -0.032 5 10 DBBE C[S@](=O)(CCC(=O)O)=NC(=O)Cn1ccc([N+](=O)[O-])n1 2157206849 SQXYACFMGFSJTJ-FQEVSTJZSA-N 304.284 -0.110 5 10 DBBE CN(CCS(C)(=O)=O)C(=O)c1cccc(NN)c1[N+](=O)[O-] 157163287 AKMBKIIKIYTESA-UHFFFAOYSA-N 316.339 -0.003 5 10 DBBE NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H]1CNC(=O)O1 215825381 PUOQEVBLIMROEE-ZETCQYMHSA-N 317.279 -0.271 5 10 DBBE CO[C@@H]1C[C@H](C(=O)O)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 262088634 CFIFIZGABGUJCN-HTQZYQBOSA-N 312.282 -0.049 5 10 DBBE CN1C[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C(=O)N1 362979891 LUGWVAXQIITHCB-JTQLQIEISA-N 314.248 -0.123 5 10 DBBE Cn1nnnc1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] 591757661 WGXYQRNOMXIRLE-JTQLQIEISA-N 322.325 -0.310 5 10 DBBE CNc1nccc(C(=O)N2C[C@H](O)C[C@H]2COC)c1[N+](=O)[O-] 594375245 BATUKTCIPZDNPI-DTWKUNHWSA-N 310.310 0.253 5 10 DBBE CN1C[C@@H]2CCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])[C@H]2C1 599312782 WVICXWYIFLQROO-IUCAKERBSA-N 315.355 -0.347 5 10 DBBE CN1CCN(C)[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 1146376786 MLYGGBAHXBVSGX-KBPBESRZSA-N 322.365 -0.010 5 10 DBBE C[C@H]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CS1(=O)=O 1328811903 QIIPGXAXULVCEQ-YUMQZZPRSA-N 317.327 -0.732 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN2CCOC[C@@]2(CO)C1 1645355785 TXIGMGUXMSTJPK-AWEZNQCLSA-N 324.337 -0.548 5 10 DBBE CN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 1653690424 GHMQPJZAROROLY-SNVBAGLBSA-N 317.371 -0.206 5 10 DBBE CCNC(=O)CC(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720479916 GSVQSVDGXMLVSI-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE C[C@H](Nc1ncnc(NN)c1[N+](=O)[O-])C1CS(=O)(=O)C1 2146099724 GWMDCBMUYPQWPR-YFKPBYRVSA-N 302.316 -0.485 5 10 DBBE CS(=O)(=O)CC[C@@H](N)C(=O)N=c1cc[nH]cc1[N+](=O)[O-] 2202440479 YOTWUVLKHSREIG-SSDOTTSWSA-N 302.312 -0.888 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@@]1(F)CCOC1 2238259561 AHBADRYPPVYESJ-VIFPVBQESA-N 308.291 -0.124 5 10 DBBE O=C(O)[C@H](NC(=O)N1CC([N+](=O)[O-])C1)[C@@H](O)C(F)(F)F 2280030669 DBUDVJQPXITJMD-RFZPGFLSSA-N 301.177 -0.967 5 10 DBBE NC(CO)(CO)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 2286179981 GWOQDWBZRRKKLV-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NCCSCCO)c1 2335641880 YSVSCAZIMKXEBM-UHFFFAOYSA-N 307.353 -0.006 5 10 DBBE Cn1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN)n1 127392572 LPIUYMJUMOAOEH-UHFFFAOYSA-N 314.287 -0.795 5 10 DBBE Nc1sc(S(=O)(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] 157555389 GGSSXKJSTWFPAJ-UHFFFAOYSA-N 306.325 -0.641 5 10 DBBE NNc1ncnc(NC[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 159956420 FKYNTFCVQAUNHQ-ZCFIWIBFSA-N 302.316 -0.483 5 10 DBBE Cc1nn(C[C@H](O)CNCCNC(N)=O)c(C)c1[N+](=O)[O-] 160969091 CJCCYSKZCFLCRI-SECBINFHSA-N 300.319 -0.973 5 10 DBBE C[C@H]1CNCC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599105083 GKUOCHWOEPAZNQ-YUMQZZPRSA-N 303.344 -0.395 5 10 DBBE CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] 599490435 UGIRDEMRTYPWDW-OCAPTIKFSA-N 314.323 -0.126 5 10 DBBE COC(=O)CNC(=O)COC(=O)c1cc([N+](=O)[O-])cnc1C 805067691 ZRDZZJZFCWCBKZ-UHFFFAOYSA-N 311.250 -0.256 5 10 DBBE CN1CC[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@@H]21 1158784833 XOHLZXFPEGZEJZ-MNOVXSKESA-N 306.322 -0.081 5 10 DBBE CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1293634177 YAAGCLFZIILQBZ-GHMZBOCLSA-N 324.341 -0.835 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)n1 1328834729 QEVYZNXVGQRAAF-DDPPWCJCSA-N 320.352 -0.778 5 10 DBBE COc1ccc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)cn1 1348409877 JLQFZJIWLAOHIH-UHFFFAOYSA-N 306.282 -0.051 5 10 DBBE CC(C)(O)CN1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 1471001248 AQGKPIOFGKRQDE-VIFPVBQESA-N 312.330 -0.852 5 10 DBBE NC(=O)[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C(N)=O 1473642414 KAKNTYIEOPLJMJ-YUMQZZPRSA-N 310.285 -0.248 5 10 DBBE CN1CC[C@](O)(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 1567317856 YWBRXTPRIKTNEN-JSGCOSHPSA-N 309.322 -0.189 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCN(C(N)=O)C1 1636099180 IFCRWQRJBVJALU-SECBINFHSA-N 310.314 -0.383 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCO[C@@H](CS(C)(=O)=O)C1 1651468130 CBNLZMJGHCBECO-MRVPVSSYSA-N 304.328 -0.422 5 10 DBBE CC(=O)NCC(=O)NCCN(C)Cc1c([N+](=O)[O-])ncn1C 1690921248 XDQYJPPIJYGFDJ-UHFFFAOYSA-N 312.330 -0.988 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2cccc([N+](=O)[O-])c2F)C1 1914980382 UYESJHOYDUMHOK-UHFFFAOYSA-N 303.271 -0.153 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1COC[C@H]1N 2149987797 NIBOTBIXIBQQBM-BDAKNGLRSA-N 301.324 -0.092 5 10 DBBE NC[C@H]1COC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2154121597 ZLVJWBYNHFOMAK-GZMMTYOYSA-N 301.324 -0.153 5 10 DBBE C[C@@H](NS(=O)(=O)c1cncc([N+](=O)[O-])c1)[C@@H](O)C(=O)O 2176840522 HLFCPNQHDJSIFT-SVGQVSJJSA-N 305.268 -0.898 5 10 DBBE COc1c(OCC(=O)O)cc([N+](=O)[O-])cc1S(N)(=O)=O 37370525 SHFXCZQAWPKBNX-UHFFFAOYSA-N 306.252 -0.286 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCCN(CCO)CC1 171681897 GGJKDBQCZZTSCQ-UHFFFAOYSA-N 309.326 -0.407 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCCCOCCO)cn1 230771118 RCHVYPDKJYENLY-UHFFFAOYSA-N 305.312 -0.333 5 10 DBBE CN(CC(=O)NC[C@@H]1CNC[C@H]1O)c1ccccc1[N+](=O)[O-] 262129458 GHWDCYBCOLKJEW-GXFFZTMASA-N 308.338 -0.273 5 10 DBBE Cc1noc(CN2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)n1 351780914 MXJKQUZTKOUCTM-UHFFFAOYSA-N 321.297 -0.033 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)[C@@H](O)CO 698922018 ZNYUTZPWCZXWQG-WPRPVWTQSA-N 304.324 -0.077 5 10 DBBE C[C@@H](O)[C@@H](CO)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 1183669386 GNPYYEBMVKMLHS-VXNVDRBHSA-N 312.278 -0.163 5 10 DBBE O=C(C=C1CCC1)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1280552842 HFCRRMHOTPJROW-VXGBXAGGSA-N 323.349 -0.159 5 10 DBBE Cc1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 1285490479 FCMGWEHGCBDTNO-NWRGJWMSSA-N 307.310 -0.214 5 10 DBBE O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1C[C@H](O)[C@@H](CO)C1 1299170018 LBRQNIQXQNBSSY-HQJQHLMTSA-N 306.278 -0.104 5 10 DBBE CC(=O)N1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1334972391 LPSQNCTUFDKULU-MRVPVSSYSA-N 317.327 -0.773 5 10 DBBE CC(C)(CCC(=O)NCCN1CCCS1(=O)=O)[N+](=O)[O-] 1518110892 CBPJCFQCYNLXCX-UHFFFAOYSA-N 307.372 -0.026 5 10 DBBE COC1(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)CS(=O)(=O)C1 1519241207 BCZBRYZMNIHEOV-UHFFFAOYSA-N 315.307 -0.234 5 10 DBBE COCCNCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1570414369 UCNPTNOGEAEARE-GHMZBOCLSA-N 301.343 -0.759 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@]2(CCOC2=O)C1 1623662769 YSSPUIVYZYYXCI-AWEZNQCLSA-N 321.289 -0.078 5 10 DBBE O=C(CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CC1 1717639519 QLNDUBFPPVHOKX-HJQYOEGKSA-N 310.354 -0.585 5 10 DBBE O=C(CN1C(=O)c2ccccc2C1=O)N1CCN=C1C[N+](=O)[O-] 1851524391 XINMCDJZAWDYST-UHFFFAOYSA-N 316.273 -0.200 5 10 DBBE O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1(CO)CNC1 1918430187 TVVNPIPAGUVTSJ-UHFFFAOYSA-N 321.742 -0.139 5 10 DBBE COc1ncnc(C2(C(=O)O)CS(=O)(=O)C2)c1[N+](=O)[O-] 2146100968 RZOXGYWZBVXZHJ-UHFFFAOYSA-N 303.252 -0.856 5 10 DBBE NC(=O)CNS(=O)(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 2224577133 UQPJQAWGTBVUDG-UHFFFAOYSA-N 308.703 -0.406 5 10 DBBE CC(C)S(=O)(=O)N(C)Nc1ncnc(NN)c1[N+](=O)[O-] 2365288920 FCZSIOFJLDSENI-UHFFFAOYSA-N 305.320 -0.333 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CNC[C@H]1O 36266935 VAHAGHNUWKYQEI-GHMZBOCLSA-N 315.351 -0.144 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC(N)=O 37504269 VMCGYNADKFPDLU-UHFFFAOYSA-N 303.300 -0.966 5 10 DBBE NC[C@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O 52125707 DMVNKAWRFRRULN-ZETCQYMHSA-N 301.280 -0.941 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](N)[C@H](C)O 80737718 GMUUPOSZAMBQHE-WPRPVWTQSA-N 303.340 -0.110 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1cccc(N)c1[N+](=O)[O-] 156928932 IQSUWIXAPAHXLU-UHFFFAOYSA-N 302.312 -0.544 5 10 DBBE COC[C@H](NS(=O)(=O)c1cncc([N+](=O)[O-])c1)C(=O)O 312507814 ROCPKWIHOUZOEC-QMMMGPOBSA-N 305.268 -0.632 5 10 DBBE N[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)O 323323817 TWOWGBJPAYXOLY-SSDOTTSWSA-N 307.259 -0.576 5 10 DBBE NC(=O)c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 405638894 CBBRRLGSDNMGRV-WDEREUQCSA-N 306.322 -0.051 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)n1 599390969 HGEJAZVOXRRYTG-IUCAKERBSA-N 320.327 -0.854 5 10 DBBE C[C@@H]1C[C@@H](C(=O)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CO1 861326545 JYUUAUDQVSBDEZ-RNFRBKRXSA-N 318.311 -0.442 5 10 DBBE Cn1cc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 940941700 CVRJRKMZQKVUOQ-MWLCHTKSSA-N 322.325 -0.845 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCn3cncc3C2)n1 1118815733 LGPWSXUBBDKJJB-UHFFFAOYSA-N 312.311 -0.271 5 10 DBBE CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1135986955 QRMSOECYLMRVQD-MRVPVSSYSA-N 314.323 -0.169 5 10 DBBE O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1n[nH]cc1[N+](=O)[O-] 1160434968 RHXGCLATZYEPMC-ZETCQYMHSA-N 302.312 -0.128 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CN2CCC[C@@H]2CO1 1318164676 LWTDLCNMOQGDOQ-ZJUUUORDSA-N 310.314 -0.834 5 10 DBBE CCNC(=O)CCC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1355510851 MBPDOTFVSRGYPF-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE CC(=O)N[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1529205468 ARWMXKHYDODMLG-SNVBAGLBSA-N 308.294 -0.507 5 10 DBBE CC(C)CNC(=O)CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1715818023 IRUJBALJZOVLQJ-VXGBXAGGSA-N 314.386 -0.186 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc(C)[nH]n1 1721143410 FUYNGMXRWDYHKI-MWLCHTKSSA-N 309.326 -0.038 5 10 DBBE O=C(NCC1(O)CN(CCC(F)(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1733499658 LMDNMDBEHSIYJI-HTQZYQBOSA-N 311.260 -0.233 5 10 DBBE Cn1ccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1738753035 NSWQPYVPFIZGJJ-PSASIEDQSA-N 307.310 -0.536 5 10 DBBE O=C(NCCO)[C@H]1C[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1 1861037416 GLDGXGXCTVXLNR-NWDGAFQWSA-N 323.305 -0.721 5 10 DBBE C[C@]1(O)CON(S(=O)(=O)c2cccc(N)c2[N+](=O)[O-])C1 2149797759 VRFXHMHGHWYMKK-SNVBAGLBSA-N 303.296 -0.136 5 10 DBBE N[C@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2154387294 ATDPKBXBTUYEAQ-ZDVLTJLQSA-N 320.352 -0.123 5 10 DBBE O=c1ncc([N+](=O)[O-])cn1CC1(O)CCS(=O)(=O)CC1 2169655932 ZIQMMNSMGGJPBT-UHFFFAOYSA-N 303.296 -0.909 5 10 DBBE CS(=O)(=O)c1ccc(NC[C@@H](O)C(=O)O)c([N+](=O)[O-])c1 2176866783 REMKUFCWUCIPKY-SECBINFHSA-N 304.280 -0.144 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1N=c1[nH]c(Cl)ncc1[N+](=O)[O-] 2207468403 BKIIELVOPHUTST-IYSWYEEDSA-N 322.730 -0.316 5 10 DBBE N[C@H](CS(=O)(=O)Nc1ccnc(Cl)c1[N+](=O)[O-])C(=O)O 2286028038 SMNCXCBXVGVTJT-SCSAIBSYSA-N 324.702 -0.203 5 10 DBBE Nc1sc(S(=O)(=O)N[C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] 125589771 TUUMXWPMVUJROX-YFKPBYRVSA-N 320.352 -0.205 5 10 DBBE C[C@@]1(Nc2nc(NN)ncc2[N+](=O)[O-])CCS(=O)(=O)C1 235399327 OZYQECPKOJGDND-SECBINFHSA-N 302.316 -0.341 5 10 DBBE O=C(NC[C@@H](O)CO)c1cc([N+](=O)[O-])ncc1Br 302300609 HHTWWJSWSYCSLZ-RXMQYKEDSA-N 320.099 -0.165 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCSC[C@H]2CCO)c1 347384677 WZDNTFSNOBYLHR-ZYHUDNBSSA-N 316.383 -0.048 5 10 DBBE C[C@@H]1CN(c2nc(=N)[nH]cc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O 400825689 KVGQSQGKVRHCJL-RNFRBKRXSA-N 301.328 -0.191 5 10 DBBE C[C@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCN1 599108559 NDUHEZUNGNCINV-JGVFFNPUSA-N 303.344 -0.253 5 10 DBBE CCN1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599204443 VXROZFXJOCHXIW-UHFFFAOYSA-N 303.344 -0.346 5 10 DBBE COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599216928 VYEZLWFPNUIDPP-ZETCQYMHSA-N 320.327 -0.242 5 10 DBBE CC[C@H]1C(=O)NCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599232862 OAFQWGCRPIPUQK-ZETCQYMHSA-N 317.327 -0.773 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@H](O)C[C@H]2CO)cc1[N+](=O)[O-] 698177614 YRNMRPHXTNZRPE-NTSWFWBYSA-N 323.352 -0.645 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CNC[C@@H]2O)cc1 702789179 MDCPWNKFZNXMKJ-KCJUWKMLSA-N 301.324 -0.547 5 10 DBBE CCS(=O)(=O)C[C@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1 1328176621 GPGQVVLDUWBCAZ-ZETCQYMHSA-N 305.316 -0.874 5 10 DBBE CCN(CCCNC(=O)Cn1ccnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1352231561 BHCDADBBHROVNN-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(=O)N=S(C)(C)=O 1451984828 XYHBALKLZYDOHI-UHFFFAOYSA-N 317.327 -0.530 5 10 DBBE COC(=O)[C@@H]1C[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1625873886 WSQMHCGVVDZGTA-PSASIEDQSA-N 309.278 -0.318 5 10 DBBE NC(=O)[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C(N)=O 1651240397 JFJLSAIRHNBNMV-RNFRBKRXSA-N 314.248 -0.104 5 10 DBBE CCC(=O)NC1(CCO)CN(Cc2c([N+](=O)[O-])ncn2C)C1 1675058298 BWNIXCYWQNPOMV-UHFFFAOYSA-N 311.342 -0.209 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2CCNC[C@@H]2F)c1 2146549635 HKTQMUAHXUJIBW-UWVGGRQHSA-N 304.303 -0.032 5 10 DBBE CN=c1nc(N=[S@@]2(=O)CC[C@H](CN)C2)c([N+](=O)[O-])c[nH]1 2173927491 IQVUGODHYLZBLA-JLPJYYFKSA-N 300.344 -0.074 5 10 DBBE CS[C@@H]1COC[C@H]1N=c1[nH]c(NN)nc(C)c1[N+](=O)[O-] 2207539585 UHKLROJQKUACAD-RNFRBKRXSA-N 300.344 -0.057 5 10 DBBE NC(CO)(CO)CNC(=O)c1cc(Cl)ncc1[N+](=O)[O-] 2286183685 WIVBJXCEQIDYRN-UHFFFAOYSA-N 304.690 -0.945 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 133561396 MENSDACFCOTBJU-UHFFFAOYSA-N 309.329 -0.815 5 10 DBBE N[C@@H](CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)O 323254116 DJFYWAPMBRMZTL-LURJTMIESA-N 307.259 -0.576 5 10 DBBE CCOC(=O)[C@@](C)(O)CNC(=O)c1nn(CC)cc1[N+](=O)[O-] 427677637 HPXSOCJOHCHCGN-LBPRGKRZSA-N 314.298 -0.145 5 10 DBBE CC(=O)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594745067 UMAIRQPBDXWPDC-UHFFFAOYSA-N 314.323 -0.157 5 10 DBBE C/C=C\C[C@@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599281158 HOHGQHDVVSNBOT-VEMNSZJBSA-N 304.328 -0.066 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1C[C@@H](O)C[C@@H](O)C1 610668917 MGYIGQJXPAPEMD-OCAPTIKFSA-N 310.262 -0.109 5 10 DBBE CN(C)S(=O)(=O)CCCn1cc([N+](=O)[O-])c(O)nc1=O 700065187 FUQHEAHFGOXVFK-UHFFFAOYSA-N 306.300 -0.861 5 10 DBBE O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC(O)(CO)C1 854674507 ZLHQSDQKBVDELI-LBPRGKRZSA-N 321.289 -0.347 5 10 DBBE NC(=O)CN1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 1137350507 OLZNNTHWBPVZNX-UHFFFAOYSA-N 324.312 -0.094 5 10 DBBE C[C@@H]1NC(=O)[C@@H](C)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1C 1144384715 IXAMFQXNKLBALF-LPEHRKFASA-N 322.321 -0.120 5 10 DBBE Cn1cc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c(O)nc1=O 1175089840 OUBROPUVYBGRTF-UHFFFAOYSA-N 305.250 -0.281 5 10 DBBE CC(C)(CCC(=O)N1CCS(=O)(=O)C[C@@H]1CCO)[N+](=O)[O-] 1471971718 CMEVZWBWYLZKPJ-JTQLQIEISA-N 322.383 -0.170 5 10 DBBE O=C1NC(=O)C2(CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)N1 1607386406 CHKPHMNLCRZQOU-UHFFFAOYSA-N 308.225 -0.232 5 10 DBBE Cc1nn(C)c(C(=O)NC[C@@H](O)c2cnn(C)c2)c1[N+](=O)[O-] 1610971563 MBHYSXJTOWZASI-SECBINFHSA-N 308.298 -0.166 5 10 DBBE CN(C)CCN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1624565106 CNNZWFMFDZRFAX-UHFFFAOYSA-N 310.358 -0.352 5 10 DBBE CN(CC(=O)N1C[C@@H](O)[C@H](CO)C1)c1ccccc1[N+](=O)[O-] 1629601105 PIIMZQAINZEKNT-GXFFZTMASA-N 309.322 -0.157 5 10 DBBE O=C1CC2(CCC2)N(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1 1633968537 PBMCMCPGEJOYQO-UHFFFAOYSA-N 308.298 -0.543 5 10 DBBE O=C1NCCO[C@@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@H]12 1636384553 NJLOGCVRSOTKJA-SKDRFNHKSA-N 323.309 -0.703 5 10 DBBE C[C@@H]1CN(CCO)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N 1642574721 XQACSYXUMUODLI-SECBINFHSA-N 309.326 -0.289 5 10 DBBE CN(CCCNC(=O)CCn1ccnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737178963 CYASUDBYNUNNHV-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE Nc1cccc(S(=O)(=O)N2CC([N+](=O)[O-])C2)c1[N+](=O)[O-] 2191502761 GZKHUWLWVCVWIP-UHFFFAOYSA-N 302.268 -0.173 5 10 DBBE Cc1c([N+](=O)[O-])c(=N[C@H](C)CS(=O)(=O)N(C)C)[nH]n1C 2207489534 QNCACBJDRCTECQ-SSDOTTSWSA-N 305.360 -0.250 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@@H]2CCCN2)n1 2240624554 YSUDYTYJSCVPSA-QMMMGPOBSA-N 303.344 -0.500 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](N)[C@H](C)O 80749077 MSGDUDHDWOLCRC-IONNQARKSA-N 319.339 -0.410 5 10 DBBE O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCNCC1 131025523 RIJICYCTCWCDQV-UHFFFAOYSA-N 315.307 -0.113 5 10 DBBE COc1c(C(=O)N2CC[C@@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] 336865384 MMDQRECGSBKYHJ-ZDUSSCGKSA-N 309.278 -0.334 5 10 DBBE COC(=O)[C@H](C)CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 338888246 XMYKYIXGLFQDJZ-MRVPVSSYSA-N 311.298 -0.014 5 10 DBBE COC(=O)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccn(C)n1 348040429 WNPBWHFSYSAUMF-LLVKDONJSA-N 322.281 -0.445 5 10 DBBE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1=O 374143525 TZQYPGYSGFKPEJ-YWVKMMECSA-N 307.310 -0.083 5 10 DBBE CC(C)NCCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599098691 XZSYXSGQIOBWGB-UHFFFAOYSA-N 305.360 -0.005 5 10 DBBE N[C@@H](CS(=O)(=O)NCc1cccc([N+](=O)[O-])c1)C(=O)O 691676121 HCBJHCZMMRAMMU-VIFPVBQESA-N 303.296 -0.574 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1287635105 QMPJPPRRKJEYMK-VXNVDRBHSA-N 316.339 -0.208 5 10 DBBE C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O 1324025676 UECAXDOMKPUAQJ-OCAPTIKFSA-N 316.339 -0.024 5 10 DBBE COC(=O)[C@]1(O)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 1455195656 ZVQANHHGJYXCDN-ZDUSSCGKSA-N 309.278 -0.073 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)[C@H]1CN(C)CCO1 1518056641 VMVDRUIXEUIGNQ-MWLCHTKSSA-N 311.342 -0.065 5 10 DBBE Cn1cncc1[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1585907551 XNROGBPIDMVPQO-SNVBAGLBSA-N 321.293 -0.660 5 10 DBBE CNS(=O)(=O)C1CN(c2nc(Cl)ncc2[N+](=O)[O-])C1 2130749311 NYNQOXDFWWELCI-UHFFFAOYSA-N 307.719 -0.224 5 10 DBBE NS(=O)(=O)C[C@H]1CCCN1c1nc(F)ncc1[N+](=O)[O-] 2146413380 VRUYAECBEOLHTC-ZCFIWIBFSA-N 305.291 -0.219 5 10 DBBE O=C1NOC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2148980931 JIWUIJLKZFTZAN-SSDOTTSWSA-N 305.243 -0.558 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1[C@@H](C)C(=O)N(C)C 2156810039 OIDVEOXZDUTJGF-LURJTMIESA-N 305.316 -0.604 5 10 DBBE CN=c1[nH]c(=NCCCCS(C)(=O)=O)[nH]cc1[N+](=O)[O-] 2157683410 GDZMGKQAGGWFDW-UHFFFAOYSA-N 303.344 -0.493 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CC2(C1)OC[C@@H](O)[C@H]2O 2183638603 QIXXJGPTHCREJA-IYSWYEEDSA-N 302.674 -0.651 5 10 DBBE CCn1c(N)c(N(C)CCn2ccc([N+](=O)[O-])n2)c(=O)[nH]c1=O 176226088 VTOFXJRCCYLBJV-UHFFFAOYSA-N 323.313 -0.620 5 10 DBBE CN1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1=O 594753238 PPUTVBZAOPEPKX-ZETCQYMHSA-N 300.296 -0.501 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nccc(N)c1[N+](=O)[O-] 697049720 BQWFZWZZWABBKN-HTQZYQBOSA-N 302.312 -0.204 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@]2(O)CCSC2)c1 702232488 KHUQCGSGTQYWNI-QWRGUYRKSA-N 302.356 -0.390 5 10 DBBE CCS(=O)(=O)N1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 1164270060 AUZWTYKTUGHSLU-UHFFFAOYSA-N 303.344 -0.200 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCN(CC[S@@](C)=O)CC2)n1 1306976304 WXTDFWZZXPWDCQ-HXUWFJFHSA-N 301.372 -0.171 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)O)C2CCOCC2)n1 1328761236 CEDNVLLMZOCDBP-VIFPVBQESA-N 312.282 -0.062 5 10 DBBE CNC(=O)C1(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])CCOCC1 1455854974 WRSJZZNCBBUOLN-UHFFFAOYSA-N 311.298 -0.349 5 10 DBBE NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1456620510 XZIBFPUHXUPLCC-ZETCQYMHSA-N 302.312 -0.327 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C1CCS(=O)(=O)CC1 1457729431 SOYOYVYGECVMCA-UHFFFAOYSA-N 316.339 -0.268 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CCS(=O)(=O)CC1 1540828339 TWAXPLORXDYEPY-UHFFFAOYSA-N 316.339 -0.207 5 10 DBBE CN(C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C1 1567120562 QQYYQTUZYYFWFQ-UHFFFAOYSA-N 317.309 -0.044 5 10 DBBE CS(=O)(=O)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 1645734147 QDMUQHXLEBUBRT-SSDOTTSWSA-N 318.311 -0.797 5 10 DBBE NS(=O)(=O)c1cn(CC[C@H]2COCCO2)nc1[N+](=O)[O-] 1916775454 OLEISUMTYCPHFQ-ZETCQYMHSA-N 306.300 -0.756 5 10 DBBE NS(=O)(=O)NCCNC(=O)Nc1cccc([N+](=O)[O-])c1 2157536529 GZJKSOLFQOCWBL-UHFFFAOYSA-N 303.300 -0.491 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2([C@H](O)CO)CC2)cn1 2190120031 SZWJNOFZSWIWMD-MRVPVSSYSA-N 303.296 -0.846 5 10 DBBE NC[C@@](CF)(C(=O)O)n1nc([N+](=O)[O-])nc1Br 2246671115 WZLRSKYFLIJLSR-LURJTMIESA-N 312.055 -0.343 5 10 DBBE CS(=O)(=O)N1CC[C@H](Oc2ncc([N+](=O)[O-])c(=N)[nH]2)C1 2285596652 GTDXTQGBVMTZRQ-LURJTMIESA-N 303.300 -0.790 5 10 DBBE CCNC(=O)CCNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 123016558 SSULGXBOKFFZOP-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE CCNS(=O)(=O)CCNc1ncnc(NC)c1[N+](=O)[O-] 231029781 CXUDRWAQGWRUPS-UHFFFAOYSA-N 304.332 -0.222 5 10 DBBE C[C@](O)(CO)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 578867847 FYOKHJXNWXFKNU-GFCCVEGCSA-N 318.351 -0.299 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@]2(O)CCOC2)nc1 593568672 XTQUUILZNAWEPL-SNVBAGLBSA-N 303.296 -0.581 5 10 DBBE Cc1nn(C)cc1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599271769 LXMIMYMJXMNFTP-UHFFFAOYSA-N 314.327 -0.151 5 10 DBBE CS(=O)(=O)N1CC[C@@H](n2cc([N+](=O)[O-])c(C(=O)O)n2)C1 689912263 GOFPORBSAUWWTH-ZCFIWIBFSA-N 304.284 -0.304 5 10 DBBE Cn1c(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)ccc1[N+](=O)[O-] 707433967 AVXSBTCBSDLZMT-SSDOTTSWSA-N 302.312 -0.564 5 10 DBBE O=C(NCc1nc(O)cc(CNCCF)n1)[C@@H]1C[C@H]1[N+](=O)[O-] 1264581263 CLTWPPYOYLEBPT-RKDXNWHRSA-N 313.289 -0.477 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H](N2CCCC2=O)C1 1318403678 OGPPORUHXQOFTP-JTQLQIEISA-N 322.325 -0.200 5 10 DBBE COCCNC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1332725723 YBWZQADUQBBAKP-UHFFFAOYSA-N 312.330 -0.587 5 10 DBBE CC(C)N(C)CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1506296194 VYHAGNYXPRRWCH-VXGBXAGGSA-N 312.370 -0.339 5 10 DBBE CNC(=O)N[C@H]1CCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)C1 1638209094 VDMOOLUDRSYWRT-VIFPVBQESA-N 310.314 -0.370 5 10 DBBE CN(CCNC(=O)c1ccc(O)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688306034 UWUNTFNCIYRUGO-VXNVDRBHSA-N 309.282 -0.964 5 10 DBBE CCc1c(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1737748986 NCUWCFURGDRSAG-BXKDBHETSA-N 323.353 -0.164 5 10 DBBE O=C1NC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)O1 1963623507 SDMYHPZYEJUDRN-MRVPVSSYSA-N 301.280 -0.019 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1N1CCS(=O)(=O)CCN1 1965649405 GHCWNAWNFZYUNV-UHFFFAOYSA-N 303.344 -0.141 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@@H](O)C(F)(F)C2)c1 1965790318 IZHGKRPYMPBGRD-MRVPVSSYSA-N 309.250 -0.010 5 10 DBBE CN1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](O)C1 2146512302 AWWZFDGOSXAIOK-WCBMZHEXSA-N 301.324 -0.452 5 10 DBBE COc1nc(NCC2(S(N)(=O)=O)CC2)ncc1[N+](=O)[O-] 2157678349 JWGAKTIEEYBDBV-UHFFFAOYSA-N 303.300 -0.374 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NC[C@H]1CCS(=O)(=O)C1(C)C 2159184542 QULXPALSJKZZBP-SSDOTTSWSA-N 303.344 -0.230 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(F)(CO)C1 2172924675 LLBVWRBCBSEUHC-UHFFFAOYSA-N 305.287 -0.118 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCO2)c1 2189564358 RGHOUAMGOYLSAR-QMMMGPOBSA-N 302.312 -0.052 5 10 DBBE CN(C)c1ncccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 48322700 JBLNJWJMLSTGMV-UHFFFAOYSA-N 305.298 -0.036 5 10 DBBE CCOC(=O)CNC[C@H](O)Cn1nc(C)c([N+](=O)[O-])c1C 69369571 LQWYTBHETHYBLT-JTQLQIEISA-N 300.315 -0.078 5 10 DBBE O=C(O)[C@H](O)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 90263048 RVNUHNXAQZAQGJ-SSDOTTSWSA-N 308.243 -0.542 5 10 DBBE Cc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1[N+](=O)[O-] 97270302 VQNNUKWNUCTJAA-UHFFFAOYSA-N 313.291 -0.450 5 10 DBBE CCNC(=O)CCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 123015854 CLMREXFNYCLUCQ-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE Nc1c(C(=O)N[C@@H](CO)CN2CCOCC2)cccc1[N+](=O)[O-] 339220684 PKHVWADZMVHKQP-SNVBAGLBSA-N 324.337 -0.400 5 10 DBBE NC(=O)NCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 344515426 KDGTVYYHRRBLJC-UHFFFAOYSA-N 307.310 -0.088 5 10 DBBE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c([N+](=O)[O-])cnn1C 592873641 PSQDTMBSQDRSBX-SECBINFHSA-N 324.341 -0.480 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2CC=CCC2)n1 599294925 UKLMFCLJVYGTRT-UHFFFAOYSA-N 315.355 -0.132 5 10 DBBE CO[C@](C)(CO)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599337608 YUVSQLNARUECJJ-VIFPVBQESA-N 308.316 -0.996 5 10 DBBE CN([C@@H]1COC[C@@H]1O)S(=O)(=O)c1cncc([N+](=O)[O-])c1 709289466 ILRBJNRTQOSLGJ-ZJUUUORDSA-N 303.296 -0.630 5 10 DBBE CS(=O)(=O)[C@H]1C[C@H](Nc2ncnc(NN)c2[N+](=O)[O-])C1 714252147 VHNHDLKBKLHGJL-IZLXSQMJSA-N 302.316 -0.342 5 10 DBBE CO[C@@H]1COCC[C@H]1N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 1659966675 FGPFSLKHPVSTLB-YNEHKIRRSA-N 314.342 -0.112 5 10 DBBE O=C(CCn1ccnn1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1705028825 POJZHXGDYMDGBT-COUIAZAYSA-N 322.325 -0.878 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cnn[nH]1 1737133334 XYXADQFAOYUJSV-GHMZBOCLSA-N 324.341 -0.633 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncn(C)n1 1738357675 SOWCRHNYHZSPMF-RKDXNWHRSA-N 310.314 -0.989 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCCn1cncn1 1758929619 UOZUPEFLSCCXLO-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE O=C(O)[C@H](Nc1ncc([N+](=O)[O-])s1)C1CS(=O)(=O)C1 1890929929 JYELZKXRQHNNTO-ZCFIWIBFSA-N 307.309 -0.039 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2cc([N+](=O)[O-])cnc2Cl)C1 1914987070 MLOILGJRCHNJIO-UHFFFAOYSA-N 320.714 -0.244 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(O)CNC1 1918666445 GDGXMDKWQMPDBG-QMMMGPOBSA-N 301.324 -0.404 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2COCCCO2)nc1[N+](=O)[O-] 2154009936 DYSJVNGZSATUJU-SSDOTTSWSA-N 306.300 -0.756 5 10 DBBE NC(=O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2N)CC1 2159812089 ATJFBOIUWUYFQZ-UHFFFAOYSA-N 300.296 -0.527 5 10 DBBE N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 2168117090 NBGBJSDCZFHSPB-DTWKUNHWSA-N 301.324 -0.323 5 10 DBBE CS(=O)(=O)[C@@H]1CCN(c2cc([N+](=O)[O-])cc(NN)n2)C1 2179892439 GKEGNWPGTSZXSV-MRVPVSSYSA-N 301.328 -0.101 5 10 DBBE Nc1ccc(S(=O)(=O)N2CC([N+](=O)[O-])C2)cc1[N+](=O)[O-] 2191525517 LZJVTZFZHIASPU-UHFFFAOYSA-N 302.268 -0.173 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 126719728 XIRHTVPXSOIRQK-ZCFIWIBFSA-N 317.327 -0.707 5 10 DBBE Cc1nn(CCC(=O)N(C)Cc2nnnn2C)c(C)c1[N+](=O)[O-] 342316632 IXAFYEKJLOXSSN-UHFFFAOYSA-N 322.329 -0.020 5 10 DBBE N=c1cc([N+](=O)[O-])cc(NCCN2CCCS2(=O)=O)[nH]1 405445308 LYAVJNVSXZHXPZ-UHFFFAOYSA-N 301.328 -0.150 5 10 DBBE CNC(=O)[C@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 563638604 RHKLVYHUTSUELD-QMMMGPOBSA-N 307.310 0.240 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@H](O)C[C@H]2CO)c1 698136188 FNVDZJMIIPRTCX-DTWKUNHWSA-N 303.296 -0.894 5 10 DBBE C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@H](C)CN1CCO 1162247835 BRKVPAFKJOQOPI-NXEZZACHSA-N 311.342 -0.145 5 10 DBBE CCOCCS(=O)(=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1323597156 WHIRLSWUBFVCEG-UHFFFAOYSA-N 306.300 -0.576 5 10 DBBE CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 1331827041 NVFHUPKRJGFTMH-DTORHVGOSA-N 308.294 -0.521 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@@H]2C1=O 1454822415 RKYLWWBMHBCVFI-DTORHVGOSA-N 319.273 -0.013 5 10 DBBE CCn1cc(CN2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 1472958523 OPMBVLDIUWUJGY-VXGBXAGGSA-N 308.342 -0.393 5 10 DBBE CN(C)[S@@](C)(=O)=NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1656259736 MKZXYODJXGERMR-FQEVSTJZSA-N 302.312 -0.143 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)COCC1CC1 1689060989 GQNIJVDIMHHBSV-VXGBXAGGSA-N 313.354 -0.005 5 10 DBBE O=C(c1cn(C[C@H]2CCOC2)nn1)N1CCN=C1C[N+](=O)[O-] 1851686762 XHHZZEHSWYKXLX-SECBINFHSA-N 308.298 -0.554 5 10 DBBE O=C(O)[C@H](O)[C@@H](O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1865945809 BVFDNBPPUMYVTP-HTQZYQBOSA-N 304.642 -0.007 5 10 DBBE C[C@H]1CNC[C@@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1926061825 YDKZKPXPUYTKTI-RNHFCUEFSA-N 320.103 -0.032 5 10 DBBE CN1[C@H](CN=c2ccc(N)c([N+](=O)[O-])[nH]2)CCS1(=O)=O 2145342888 AGYPUAWOWBEVSM-ZETCQYMHSA-N 301.328 -0.560 5 10 DBBE N[C@H]1CC[S@@](=O)(=NC(=O)CCn2cnc([N+](=O)[O-])c2)C1 2154388835 QGFHDWZGYDPBGF-FHZGZLOMSA-N 301.328 -0.093 5 10 DBBE CN=c1[nH]c(N2CCS(=O)(=O)[C@H](C)C2)ncc1[N+](=O)[O-] 2157679571 BYOXVIUVHGVKKR-SSDOTTSWSA-N 301.328 -0.528 5 10 DBBE Cc1nc(NN)nc(N2CC[S@@](=O)C[C@@H]2C)c1[N+](=O)[O-] 2171986230 WPBBJMBDBPIPNR-SXPOAWKSSA-N 300.344 -0.064 5 10 DBBE COc1ccc(S(=O)(=O)NOC2CNC2)c([N+](=O)[O-])c1 2179468567 JHDZZFVTJLMGHL-UHFFFAOYSA-N 303.296 -0.215 5 10 DBBE NC[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2187582345 FWWXAKPCVLSOKT-IUCAKERBSA-N 301.324 -0.323 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1ncc(F)cc1[N+](=O)[O-] 2192680823 YQVRJQPJCSIZII-CBAPKCEASA-N 304.303 -0.074 5 10 DBBE C[C@@H](O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](O)[C@H]2CO)s1 2201009546 XNXVOXRRFNHDAL-RWDUTDNCSA-N 304.324 -0.388 5 10 DBBE Cn1[nH]c(=NCCn2ncc(Br)n2)nc1[N+](=O)[O-] 2321703652 ZCAPZXTVYHQPML-UHFFFAOYSA-N 317.107 -0.389 5 10 DBBE NS(=O)(=O)c1cn(C[C@H]2C[C@@H]3C[C@@H]3CO2)nc1[N+](=O)[O-] 2355825142 LSKGTAUSQHCOIV-XLPZGREQSA-N 302.312 -0.136 5 10 DBBE Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](O)CO)cc1C 90281506 VIYXYLIFQCVQDU-SECBINFHSA-N 304.324 -0.157 5 10 DBBE C[C@](O)(CO)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 90287415 HEFNRIVUGXDOTN-SNVBAGLBSA-N 306.296 -0.678 5 10 DBBE CC(C)N1C(=O)C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 270747373 BKUUCXGGYKYECW-SSDOTTSWSA-N 309.282 -0.406 5 10 DBBE Cn1nnnc1CCNC(=O)COc1cccc([N+](=O)[O-])c1 611315875 NPHFFDFYFFASNQ-UHFFFAOYSA-N 306.282 -0.144 5 10 DBBE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CNC[C@@H]2O)c1 699963183 RMVUNYVWTNDGNU-IUCAKERBSA-N 321.742 -0.141 5 10 DBBE CNC(=O)[C@@H](CO)Nc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12 1186061733 MFIYIQBNPWAORU-SECBINFHSA-N 320.305 -0.035 5 10 DBBE CN(CCNC(=O)Cn1ncnn1)c1ccc([N+](=O)[O-])cc1F 1263222185 RBSXVVGFNKODPP-UHFFFAOYSA-N 323.288 -0.027 5 10 DBBE CN1CCN(C(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 1305896036 NGTHWIZVSUKBSY-UHFFFAOYSA-N 322.321 -0.196 5 10 DBBE O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1c[nH]nc1[N+](=O)[O-] 1333502512 GUFULRNBJALWLJ-SNVBAGLBSA-N 323.309 -0.172 5 10 DBBE CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 1455719278 ARXLVJJGBJJADT-ZCFIWIBFSA-N 303.300 -0.320 5 10 DBBE CN1CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 1633132979 JJUSTTXJIVVIJA-VIFPVBQESA-N 308.294 -0.507 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3nn[nH]n3)C2)n1 1644300528 ZFCTZIOLCGEBHO-ZETCQYMHSA-N 306.286 -0.046 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccnc(O)c1 1738487128 XBVARPWXVNDTHI-COUIAZAYSA-N 320.305 -0.145 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=NC1[C@H]2CS(=O)(=O)C[C@H]12 2118030173 WXAAKOFFFYNKIR-WHFBIAKZSA-N 304.715 -0.085 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2[C@@H]3CCOC[C@@H]32)nc1[N+](=O)[O-] 2150099973 SEBJZPXOJOZIEK-RNJXMRFFSA-N 302.312 -0.279 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1NCCCNS(N)(=O)=O 2157536113 CHUAQJOBRKPVRY-UHFFFAOYSA-N 306.348 -0.285 5 10 DBBE COc1nc(=NC[C@H]2CCS(=O)(=O)C2)[nH]cc1[N+](=O)[O-] 2157672575 ARTNROYFYYXCKK-SSDOTTSWSA-N 302.312 -0.338 5 10 DBBE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1C(=O)c1csc([N+](=O)[O-])c1 2357881146 OABZKGXXMZJROW-LPBLVHEISA-N 302.264 -0.713 5 10 DBBE NNc1ccc(C(=O)NCCCS(N)(=O)=O)cc1[N+](=O)[O-] 51095205 UWMRIDSZDZQPPQ-UHFFFAOYSA-N 317.327 -0.711 5 10 DBBE CN(C(=O)CN1C[C@H](O)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 179185414 WAUDOTAITZGQDH-CHWSQXEVSA-N 309.322 -0.015 5 10 DBBE COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@](O)(C(N)=O)C1 319402137 ZLDMKNDNLSIADZ-ZDUSSCGKSA-N 309.278 -0.334 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CCNC3)C2)n1 599099160 BDPNMULNMKMSDU-LLVKDONJSA-N 315.355 -0.298 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](O)CO)cc1[N+](=O)[O-] 698918041 HVNQEWZGNQQCNG-KWQFWETISA-N 304.324 -0.077 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCNC[C@@H]2C(F)F)c1 923352723 QPMLISFFMAMVOG-NXEZZACHSA-N 305.285 -0.309 5 10 DBBE C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1319591625 MAVQFIKTRXRECV-VHSXEESVSA-N 322.321 -0.131 5 10 DBBE O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H](CO)[C@@H](O)C1 1460219536 AHJPJRPHLZIIBN-LOWVWBTDSA-N 312.322 -0.381 5 10 DBBE CCN(CCNCc1cn(CC)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1482924230 FKAUNFIUWKMVJZ-VXGBXAGGSA-N 310.358 -0.099 5 10 DBBE COCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCOCC1 1583165862 ROHCLCPIEUGALF-UHFFFAOYSA-N 313.314 -0.160 5 10 DBBE CN(C)C(=O)NCCN(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 1623118088 MSVCHYWJHDQPDU-UHFFFAOYSA-N 310.314 -0.085 5 10 DBBE CCS(=O)(=O)[C@H]1CCN(c2ncnc(N)c2[N+](=O)[O-])C1 2179903353 WZQAEFXOFRXDST-ZETCQYMHSA-N 301.328 -0.020 5 10 DBBE Cc1nc(Cl)nc(O[C@]2(C(N)=O)CCNC2)c1[N+](=O)[O-] 2184654427 DUVPAJBGKILOGC-SNVBAGLBSA-N 301.690 -0.057 5 10 DBBE NC[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cncc([N+](=O)[O-])c1 2187583394 KEGCCJGCHKIWOP-CBAPKCEASA-N 302.312 -0.928 5 10 DBBE COc1nccc(O[C@@H]2CS(=O)(=O)C[C@H]2N)c1[N+](=O)[O-] 2288652358 YAOOTAUAEDNRLD-HTRCEHHLSA-N 303.296 -0.499 5 10 DBBE COC(=O)[C@H](O)CNC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 227044318 RLCAJXAYDIIXBZ-ZCFIWIBFSA-N 303.658 -0.093 5 10 DBBE CO[C@@H](CNS(=O)(=O)c1cncc([N+](=O)[O-])c1)C(=O)O 312859434 ZEAXWVJYRWVDRL-QMMMGPOBSA-N 305.268 -0.632 5 10 DBBE COC[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])OC 594773592 SSTGWDWLLGPKPY-QMMMGPOBSA-N 305.312 -0.071 5 10 DBBE C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCN1S(C)(=O)=O 598215248 GJTSWVWUYREDBC-SSDOTTSWSA-N 317.327 -0.576 5 10 DBBE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 862643951 ZJHOIYDOCLZSCE-GYSYKLTISA-N 313.354 -0.616 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCCC1CS(=O)(=O)C1 1296473910 BSDSTKBPMCHLOM-UHFFFAOYSA-N 302.312 -0.507 5 10 DBBE Cn1cc(CN2CCC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])n1 1307616915 DFPUBETXHSABHG-SECBINFHSA-N 303.344 -0.419 5 10 DBBE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 1451816161 YXACSDIGSRMOMF-SECBINFHSA-N 324.293 -0.183 5 10 DBBE NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1598291599 FELBXEJRXWXOJV-VXGBXAGGSA-N 324.381 -0.016 5 10 DBBE C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)N1CCCC1 1639568606 JZCPMSZNFBHCCF-JTQLQIEISA-N 322.321 -0.116 5 10 DBBE Cc1noc(CCNC(=O)c2cc([N+](=O)[O-])c(=O)n(C)c2)n1 1891073844 RRVLBNZBUXLOBP-UHFFFAOYSA-N 307.266 -0.043 5 10 DBBE N[C@@H]1COC[C@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2149988421 QBEMYSFYKOTQCM-VXNVDRBHSA-N 302.312 -0.620 5 10 DBBE C[C@@](N)(CO)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2181129900 RBANUHBJUYXXAW-JTQLQIEISA-N 307.303 -0.278 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](O)C2)cc1 2188679239 JKXHFRHDCDUSRW-QWRGUYRKSA-N 302.308 -0.289 5 10 DBBE NNc1cccc(NCC2(O)CS(=O)(=O)C2)c1[N+](=O)[O-] 2283081916 KGWIKPYRQPQQAS-UHFFFAOYSA-N 302.312 -0.548 5 10 DBBE COC(=O)[C@H](C)NC[C@@H](O)Cn1nc(C)c([N+](=O)[O-])c1C 69369693 VYGAOKQQRWXDSG-WCBMZHEXSA-N 300.315 -0.080 5 10 DBBE CCOC(=O)[C@H](N)Cn1nc([N+](=O)[O-])nc1Br 304434890 UDXJYGQEMGOUEB-SCSAIBSYSA-N 308.092 -0.161 5 10 DBBE N[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)O 323334461 WMUKKVRVJFCCAN-ZETCQYMHSA-N 307.259 -0.576 5 10 DBBE COC(=O)[C@@H](O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 352070151 RIXLRYUSAGCVRF-JTQLQIEISA-N 318.307 -0.452 5 10 DBBE COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 359082671 FTWLEPDSHZTZDQ-BDAKNGLRSA-N 311.298 -0.014 5 10 DBBE CC(C)COC[C@H](O)CNC(=O)Cn1cnc([N+](=O)[O-])n1 448261311 PBNNNPGBYGMYAJ-SECBINFHSA-N 301.303 -0.664 5 10 DBBE Cn1cnnc1N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 594386118 LLDLNNZHSMFBOG-UHFFFAOYSA-N 306.286 -0.591 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3COC[C@@H]3C2)n1 599350879 VSSRHDIBNDYEGS-BDAKNGLRSA-N 316.339 -0.015 5 10 DBBE Nc1ccc([N+](=O)[O-])c(N2CCC[C@H](S(N)(=O)=O)C2)n1 707386382 SKRNJMJEKGCBPF-ZETCQYMHSA-N 301.328 -0.171 5 10 DBBE CCc1nn(C)cc1C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1292716752 AQJYHSJISNBNCY-LDYMZIIASA-N 309.326 -0.506 5 10 DBBE O=C(NC[C@@H](O)CO)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 1304470123 AWFSDJRCPBEWIG-GFCCVEGCSA-N 306.278 -0.137 5 10 DBBE NC(=O)CCC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1320459952 WVAJITALIDKSJN-UHFFFAOYSA-N 310.314 -0.310 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cn(C)cn1 1532944786 HTWNUGURNLEOCY-MWLCHTKSSA-N 309.326 -0.384 5 10 DBBE CN(CC(=O)N1CCOCC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 1565775507 BSUMYDVNIUTRIM-UHFFFAOYSA-N 323.309 -0.497 5 10 DBBE CCC(=O)NCCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1577819052 VIHWLOAXVPIDSP-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](O)CS(C)(=O)=O 1613008651 DBZAOLGRNBURGW-MRVPVSSYSA-N 306.344 -0.063 5 10 DBBE O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cn1 1636775421 FITBCFWGEDNYCC-NSHDSACASA-N 315.307 -0.731 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCCN(S(C)(=O)=O)CC1 1639138576 GRUSDNMYLALVNE-UHFFFAOYSA-N 303.344 -0.200 5 10 DBBE CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)Cn1cnnn1 1713570485 IQFOSFSQPCVUPI-UHFFFAOYSA-N 319.325 -0.171 5 10 DBBE O=C(NCC1(O)CN(Cc2cncs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1733499124 HBIIYYQFUWTCFJ-NXEZZACHSA-N 312.351 -0.529 5 10 DBBE O=C1CC[C@@H](NC(=O)C(=O)Cc2ccccc2[N+](=O)[O-])C(=O)N1 1866062251 IULIBCPWRVWDLL-SECBINFHSA-N 319.273 -0.372 5 10 DBBE C[C@]1(O)CON(S(=O)(=O)c2c(N)cccc2[N+](=O)[O-])C1 2149796456 DWDHUXGKAASATE-SNVBAGLBSA-N 303.296 -0.136 5 10 DBBE N=c1cc(C(=O)NC[C@H]2CCS2(=O)=O)c([N+](=O)[O-])c[nH]1 2150734290 YBDSRWFGQCJHFV-ZCFIWIBFSA-N 300.296 -0.681 5 10 DBBE Cc1cc(NN)c([N+](=O)[O-])cc1S(=O)(=O)NC1COC1 2165347929 WAIKJMQJZQAPIP-UHFFFAOYSA-N 302.312 -0.134 5 10 DBBE CCCS(=O)(=O)C[C@](C)(C(=O)O)n1cnc([N+](=O)[O-])n1 2170489444 DQNJILVXXMGFDN-SECBINFHSA-N 306.300 -0.189 5 10 DBBE C[C@H](O)[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2174119488 QRBMXCBVIXSAEM-RCOVLWMOSA-N 308.287 -0.246 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1ncnc(Cl)c1[N+](=O)[O-] 2192679465 UXBDPZMSTWNINX-WDSKDSINSA-N 321.746 -0.165 5 10 DBBE O=[N+]([O-])c1c[nH]ccc1=NS(=O)(=O)N1CCCNCC1 2202432151 KVAOERAZTSQROP-UHFFFAOYSA-N 301.328 -0.636 5 10 DBBE O=[N+]([O-])c1ccc(NS(=O)(=O)C[C@@H]2CNCCO2)nc1 2202439636 LVENGNATIPPVJP-VIFPVBQESA-N 302.312 -0.280 5 10 DBBE COCC[C@H](NC(=O)CCn1cnc([N+](=O)[O-])c1)C(=O)O 52784662 IMSJTKKJBJKDBH-QMMMGPOBSA-N 300.271 -0.213 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](O)CO)c(F)cc1F 90281320 JLMLLINTJOIWJO-YFKPBYRVSA-N 312.250 -0.496 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-] 136253164 GKNJGSQDTIDKNO-LURJTMIESA-N 302.312 -0.281 5 10 DBBE C[C@@H]1CS(=O)(=O)CCN1c1ncnc(NN)c1[N+](=O)[O-] 228888486 OQJREUVYBLZHII-ZCFIWIBFSA-N 302.316 -0.706 5 10 DBBE CN(CC(=O)N1CCNCC1)C(=O)c1ccc([N+](=O)[O-])n1C 261996689 UPZBZBQBJLFUGO-UHFFFAOYSA-N 309.326 -0.563 5 10 DBBE N[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O 323323376 SZMIEFWFAKXAGQ-VIFPVBQESA-N 303.296 -0.574 5 10 DBBE COC(=O)[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccn(C)n1 348038259 RYDUCWYNRSOGSM-NSHDSACASA-N 322.281 -0.445 5 10 DBBE COC(=O)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccn(C)n1 348040433 WNPBWHFSYSAUMF-NSHDSACASA-N 322.281 -0.445 5 10 DBBE C[C@H]1CN(c2ncnc(N)c2[N+](=O)[O-])C[C@H](C)S1(=O)=O 400821813 FTMGFNSADCAEDP-BQBZGAKWSA-N 301.328 -0.021 5 10 DBBE O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)N1 593597678 ZGWMECGESJYXRN-SSDOTTSWSA-N 301.280 -0.069 5 10 DBBE CN(C)CCN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1=O 593783861 DLUIONMBMQVWLF-UHFFFAOYSA-N 310.314 -0.836 5 10 DBBE CN1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 597693489 FDGYCKUGKFMAJJ-QWRGUYRKSA-N 324.341 -0.492 5 10 DBBE Nc1nc(N2CCN(c3ncns3)CC2)ncc1[N+](=O)[O-] 599092636 QNHVDNKMCSFRDH-UHFFFAOYSA-N 308.327 0.145 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCn2cccn2)n1 599211635 ZOXBFQUYELTRJJ-UHFFFAOYSA-N 314.327 -0.107 5 10 DBBE NC[C@@]1(CO)COCCN1C(=O)c1cc([N+](=O)[O-])cs1 703663646 UGCZMJKICAAUES-LLVKDONJSA-N 301.324 -0.182 5 10 DBBE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 1278757232 ZTYNGSSXBCYMIM-VGMNWLOBSA-N 310.314 -0.313 5 10 DBBE CN1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C(=O)N1 1466410600 RDAPNXNCKZSEFE-QMMMGPOBSA-N 322.277 -0.559 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 1633951307 AGRCKPBXQQUJAM-JGVFFNPUSA-N 314.323 -0.175 5 10 DBBE O=[N+]([O-])c1ccc(N2CCS(=O)(=O)C[C@@H]2CCO)nc1 1640435076 QPZVLXSKOGYPNR-JTQLQIEISA-N 301.324 -0.024 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N[C@@H]1CS(=O)(=O)C[C@H]1O 2121465736 JPHFJLNDSRQOGM-RFZPGFLSSA-N 308.703 -0.392 5 10 DBBE O=C(Nc1ccc([N+](=O)[O-])cn1)[C@H]1CNCCS1(=O)=O 2202459357 WODMMMOIYRNURH-MRVPVSSYSA-N 300.296 -0.685 5 10 DBBE COc1nccc(OC2(CN)CS(=O)(=O)C2)c1[N+](=O)[O-] 2288633304 IKBYAXJVBKLGCD-UHFFFAOYSA-N 303.296 -0.497 5 10 DBBE CNc1cccc(S(=O)(=O)NCc2nnn[nH]2)c1[N+](=O)[O-] 126959761 UNLCOXFOGRPRBF-UHFFFAOYSA-N 313.299 -0.372 5 10 DBBE CCNS(=O)(=O)CCNc1nc(NC)ncc1[N+](=O)[O-] 231030056 AZKPEDKGWMVIJM-UHFFFAOYSA-N 304.332 -0.222 5 10 DBBE O=[N+]([O-])c1cncc(Br)c1NC(CO)(CO)CO 236501713 AAFFRUMAYJXIMO-UHFFFAOYSA-N 322.115 -0.120 5 10 DBBE C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594769210 DSWPLHIIXRDPJQ-KCJUWKMLSA-N 317.323 -0.192 5 10 DBBE O=C1NCC[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 594788779 AOXUGVBMKGWMTL-JTQLQIEISA-N 313.335 -0.055 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2(C)OCCO2)n1 859107205 CPNTUKLYJAMZAZ-UHFFFAOYSA-N 320.327 -0.240 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1CCC(O)CC1 1140920752 GFWHWJZVRDDAMR-UHFFFAOYSA-N 311.342 -0.246 5 10 DBBE O=C1C[C@]2(CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)CN1 1297198522 HVIQBMIETLMAFX-CQSZACIVSA-N 320.305 -0.505 5 10 DBBE COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1329792987 OJMOZZMFQKBGCY-JGVFFNPUSA-N 320.327 -0.901 5 10 DBBE CCN(CCNC(=O)c1[nH]cnc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1356123361 WZGCAOWSJUTGCL-NXEZZACHSA-N 309.326 -0.038 5 10 DBBE COC(=O)[C@@]1(O)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 1455195651 ZVQANHHGJYXCDN-CYBMUJFWSA-N 309.278 -0.073 5 10 DBBE Cn1cc(CN2CCC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])n1 1647910705 PROFXLHXPUUXNF-SNVBAGLBSA-N 317.371 -0.158 5 10 DBBE O=C(NC1(CO)CCN(Cc2ccon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1674311370 QMPPXLPXYQLTAD-VXGBXAGGSA-N 324.337 -0.217 5 10 DBBE CN(CCNC(=O)c1cc2n(n1)CCO2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688341758 RFEBNMCKOWPMON-PSASIEDQSA-N 323.309 -0.871 5 10 DBBE CC(C)NC(=O)CN(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1717207150 YPPBQQFEWVHYND-VXGBXAGGSA-N 314.386 -0.044 5 10 DBBE O=C(Cn1ccnc1)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1737888176 BPFCCWIWBPAGEQ-VXGBXAGGSA-N 321.337 -0.345 5 10 DBBE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1CC([N+](=O)[O-])C1 1900052630 XBVZBZRRUKCOHC-APPZFPTMSA-N 303.315 -0.252 5 10 DBBE N[C@@H](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 2144798560 JPIPAIHHURBJSV-VIFPVBQESA-N 303.296 -0.325 5 10 DBBE Cc1nc(Cl)nc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c1[N+](=O)[O-] 2201038973 SZAYARXGJFWTGM-HAFWLYHUSA-N 304.690 -0.751 5 10 DBBE O=C(NCCS(=O)(=O)CCO)c1ccc([N+](=O)[O-])s1 2335853471 UMSMOEGHCZRYRN-UHFFFAOYSA-N 308.337 -0.207 5 10 DBBE N[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)O 323613555 SHZYCVJCNWRDFH-SSDOTTSWSA-N 323.714 -0.062 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 342377756 PZYIHQXNFMFACA-SSDOTTSWSA-N 302.312 -0.313 5 10 DBBE CN(C)C(=O)CN1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 369995747 BJFRFWGJRPWBPT-UHFFFAOYSA-N 324.385 -0.113 5 10 DBBE Cc1nc(N2CC[C@H](NS(C)(=O)=O)C2)ncc1[N+](=O)[O-] 425225039 FPESICGBCWTZGM-QMMMGPOBSA-N 301.328 -0.179 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)C1CC1 1267240957 FRTRDOGFVMRREP-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE CNC(=O)NCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 1452065061 HEPXQNABOCQTKT-UHFFFAOYSA-N 310.266 -0.018 5 10 DBBE CONC(=O)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1585638325 HCNZOFJUAMLSSD-NSHDSACASA-N 322.277 -0.118 5 10 DBBE O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 1625088742 QGISMVKRZBPDBS-ONGXEEELSA-N 314.319 -0.069 5 10 DBBE C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)S(C)(=O)=O 1630905847 YDPDNELHLWKQMH-MRVPVSSYSA-N 317.323 -0.694 5 10 DBBE N[C@@H](CCNS(=O)(=O)c1cncc([N+](=O)[O-])c1)C(=O)O 2144798388 IHAAISBCPVQOJP-QMMMGPOBSA-N 304.284 -0.930 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2COC[C@@H]2O)c1 2154109511 SEKRQEFVBHBCBZ-KCJUWKMLSA-N 302.308 -0.120 5 10 DBBE Cc1[nH]c(=N)nc(N2CC(CS(C)(=O)=O)C2)c1[N+](=O)[O-] 2159452297 DMZJANSRHZVOQG-UHFFFAOYSA-N 301.328 -0.413 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=N[C@@H]1C[C@H](CO)[C@H](O)[C@H]1O 2177954213 IIAPYCGMPNKOBD-OJMRCVABSA-N 303.702 -0.420 5 10 DBBE CO[C@@H]1CNC[C@@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2179111735 UBEFEKIJDGCUFH-VHSXEESVSA-N 302.312 -0.745 5 10 DBBE Cn1cc([N+](=O)[O-])c(CS(=O)(=O)CC[C@H](N)C(=O)O)n1 2195339598 LHNSMVLVDQDVNJ-LURJTMIESA-N 306.300 -0.955 5 10 DBBE O=C1NC[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CCN12 301950349 IQVLEVZEOKSYAK-QMMMGPOBSA-N 303.282 -0.149 5 10 DBBE CC(C)OC(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599320502 ATRNWYSNMKZSTG-ZETCQYMHSA-N 320.327 -0.053 5 10 DBBE Cc1[nH]nc(C(=O)NC[C@@H]2CN3CCCN2CC3)c1[N+](=O)[O-] 619873746 UFOYNLOMWBVNFX-SNVBAGLBSA-N 308.342 -0.254 5 10 DBBE C[C@H](C[N+](=O)[O-])OC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 814037891 IRVOTVWEZVKJDE-GASNTAAPSA-N 312.278 -0.643 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](CO)[C@H](O)C1 1154148174 SMYNYFZTOKOMLL-RAIGVLPGSA-N 310.306 -0.170 5 10 DBBE COC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCOCC1 1329657037 SODJAPYKNKJWJP-JTQLQIEISA-N 313.314 -0.256 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)n1 1449689365 YEAPCASVPOOSMB-AOOOYVTPSA-N 309.326 -0.079 5 10 DBBE NC1=CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)N1 1462948642 PQBJUZMBFLNKJT-UHFFFAOYSA-N 305.294 -0.138 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC(O)(c2ccnn2C)C1 1471473639 GFJIVQGBIINPME-UHFFFAOYSA-N 320.309 -0.437 5 10 DBBE O=C(CS(=O)(=O)C1CC1)NCCn1cc([N+](=O)[O-])cn1 1622414296 FBUZAQOIBJDAQV-UHFFFAOYSA-N 302.312 -0.515 5 10 DBBE CNC(=O)[C@@H](C)CN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1630774746 FDPISMGRQJEGLU-VIFPVBQESA-N 310.310 -0.403 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1=CCOCC1 1689075488 QDSHMSHCDGGBFY-VXGBXAGGSA-N 311.338 -0.085 5 10 DBBE O=C(Cn1cncn1)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1704415461 WDAXMWCIOHXMTQ-GHMZBOCLSA-N 322.325 -0.950 5 10 DBBE CC(C)CNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1713158892 IHOWTMWWLWPMTM-DDHJBXDOSA-N 312.370 -0.339 5 10 DBBE CN=c1[nH]c(N[C@@H](C)C2CS(=O)(=O)C2)ncc1[N+](=O)[O-] 2157674495 QUCMYBBBLOGXQT-LURJTMIESA-N 301.328 -0.307 5 10 DBBE C[C@H]1[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 2182525080 YZKBZUHAEXBXQD-QUBYGPBYSA-N 302.312 -0.366 5 10 DBBE CO[C@@H]1C[C@@H]1NS(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 2188217834 CJTPMCKASULNDY-IONNQARKSA-N 302.312 -0.054 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1COc2ccccc2C1=O 343133481 CPJHPWMKNOHNBS-SECBINFHSA-N 317.261 -0.054 5 10 DBBE Cc1noc(CN2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)n1 343378188 VSFQIOGQWMTODO-UHFFFAOYSA-N 321.297 -0.033 5 10 DBBE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1=O 362243468 ZIFQCPVWDMYCJH-IWSPIJDZSA-N 308.298 -0.688 5 10 DBBE CN1CCN(Cc2cc([N+](=O)[O-])ccc2NN)S1(=O)=O 380360980 NNJZSCDNOBTPBM-UHFFFAOYSA-N 301.328 -0.127 5 10 DBBE NC(=O)CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1=O 458053434 SELBOIJFQXWUKX-UHFFFAOYSA-N 324.268 -0.496 5 10 DBBE CCOC(=O)N1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 495341179 ALYJGTJTBXTMEE-MRVPVSSYSA-N 312.286 -0.467 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)N2CCCC2)n1 755759356 ATQBYVSOTVIIFI-UHFFFAOYSA-N 317.327 -0.118 5 10 DBBE CCN(OC)C(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 849402044 RLFQWJQXVUMDBG-UHFFFAOYSA-N 318.311 -0.322 5 10 DBBE O=C(N[C@H]1[C@@H]2CN(C(=O)COCC3CC3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 1284164343 YCVIDYWRSTYHIM-DIACKHNESA-N 323.349 -0.349 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1ccnn1C 1296064553 FVHSCOZMBXOYIX-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE CN(CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(N)=O 1344706632 GWWDBDXJEAAMCR-NXEZZACHSA-N 314.342 -0.728 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(=O)c1cnn(C)c1 1472177750 YJVUBHBCODREOO-UHFFFAOYSA-N 306.282 -0.168 5 10 DBBE NC(=O)C1(O)CN(c2ncc([N+](=O)[O-])cc2Br)C1 1655767132 VQPPPFQSRNRTDE-UHFFFAOYSA-N 317.099 -0.211 5 10 DBBE CCN(CCNC(=O)c1cnc(C)[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688390908 LCORIBNKDUBDNL-MWLCHTKSSA-N 309.326 -0.038 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCC1 1714653239 ISUSLGHRCJALKB-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE CCNC(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1725811946 CIKKIHPXFSCAKQ-VXGBXAGGSA-N 310.354 -0.464 5 10 DBBE NC(=O)CN(CC(N)=O)c1c([N+](=O)[O-])ccc(N)c1Cl 2159681069 PNYDDONRMRFLNZ-UHFFFAOYSA-N 301.690 -0.393 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CC2(C1)OC[C@H](O)[C@@H]2O 2183652880 ZBXGRPWSBWLTFE-IUCAKERBSA-N 302.308 -0.541 5 10 DBBE Nc1sc(S(=O)(=O)NC[C@H]2CCNC2=O)cc1[N+](=O)[O-] 2196757070 ZCWHEOSCIVRDTA-RXMQYKEDSA-N 320.352 -0.347 5 10 DBBE O=C(O)[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)CCS1(=O)=O 2197722560 TZDUOFDKZPWGLC-QMMMGPOBSA-N 301.280 -0.322 5 10 DBBE O=[N+]([O-])c1cncnc1OCC[C@H]1CNCCS1(=O)=O 2235291946 CFZSZZYYOAQZMD-QMMMGPOBSA-N 302.312 -0.460 5 10 DBBE CC(C)n1ncc([N+](=O)[O-])c1NCC1(O)CS(=O)(=O)C1 2283073476 DJHJHXYKEXQFJZ-UHFFFAOYSA-N 304.328 -0.056 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2COC(=O)C2)cc1[N+](=O)[O-] 2296295807 HJPZHVCOXYGAOX-LURJTMIESA-N 301.280 -0.229 5 10 DBBE CNC[C@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O 52125708 MVDAZYXLWHOMJN-QMMMGPOBSA-N 315.307 -0.680 5 10 DBBE C[C@@H](O)[C@H](N)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 80738283 DSMIJQFZONTYCT-PSASIEDQSA-N 303.340 -0.278 5 10 DBBE N[C@@H](Cn1cc(Br)cc([N+](=O)[O-])c1=O)C(=O)O 88117502 LQCHTNGTKXJAOV-YFKPBYRVSA-N 306.072 -0.069 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@](C)(O)CO 90287633 LJAUJQHIRGBCLT-NSHDSACASA-N 304.324 -0.075 5 10 DBBE CCCn1cc([N+](=O)[O-])c(=O)n(C[C@H](O)CC(=O)O)c1=O 166897831 MMUMDANZCGGXRR-SSDOTTSWSA-N 301.255 -0.836 5 10 DBBE O=C([C@H]1COCCN1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 238011406 YGPWNBFDMHSMAT-CMPLNLGQSA-N 321.337 -0.009 5 10 DBBE CC(C)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O 272477147 APFSYYIOYOGOIV-LBPRGKRZSA-N 311.342 -0.295 5 10 DBBE COc1cc(OCC(=O)NC[C@](C)(O)CO)ccc1[N+](=O)[O-] 338626503 NLYWPWVOZDNDPE-ZDUSSCGKSA-N 314.294 -0.158 5 10 DBBE CN1CCC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599217861 JDEUAZREBOVGSC-QMMMGPOBSA-N 303.344 -0.299 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(C)(C)CO)CC2)n1 611515844 IODRVKPPWZIBKN-UHFFFAOYSA-N 311.342 -0.143 5 10 DBBE CCn1ncc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)n1 858304772 INBROXQVCYNMBQ-UHFFFAOYSA-N 308.302 -0.098 5 10 DBBE CON(C)C(=O)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859414695 KARHWBXOYJNCJS-ZCFIWIBFSA-N 321.315 -0.985 5 10 DBBE Cc1nc(N2CCC[C@@H](S(N)(=O)=O)C2)ncc1[N+](=O)[O-] 1184720052 NGLGQHHFUJLQPE-MRVPVSSYSA-N 301.328 -0.049 5 10 DBBE O=C(CN1C[C@H](O)[C@@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 1195015569 VYWQOJBLHPLRFA-RISCZKNCSA-N 321.333 -0.231 5 10 DBBE COCC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1288711731 XGVOSPAHISNMRA-VXGBXAGGSA-N 311.338 -0.037 5 10 DBBE CC(=O)NCCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331349295 BHYTVJXIPFBUTP-UHFFFAOYSA-N 305.316 -0.915 5 10 DBBE CN1CCC2(CC1)CN(C(=O)Cn1cnc([N+](=O)[O-])n1)CCO2 1349457937 LHIQYFDCGGTEEC-UHFFFAOYSA-N 324.341 -0.491 5 10 DBBE Cc1ccnc(N2CCN3[C@H](CNS3(=O)=O)C2)c1[N+](=O)[O-] 1458635298 XKBWFBWDPHYLRT-SECBINFHSA-N 313.339 -0.363 5 10 DBBE Cc1n[nH]c(C)c1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1491698174 VDLHMHZASHLOFK-NXEZZACHSA-N 309.326 -0.072 5 10 DBBE N[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1615977147 HJMPVZBPULGHOM-IUCAKERBSA-N 301.324 -0.011 5 10 DBBE O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1635645116 AIBQTDUCJIWTKL-LBPRGKRZSA-N 314.319 -0.126 5 10 DBBE O=C(Cc1ncc[nH]1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1689325766 CIYAONLSOAPDJJ-BSANDHCLSA-N 307.310 -0.594 5 10 DBBE CN=c1nc(N2CC(NC(=O)C(F)(F)F)C2)c([N+](=O)[O-])c[nH]1 1981948086 LUZYVLUMVOELED-UHFFFAOYSA-N 320.231 -0.285 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC(CO)C2)cc1[N+](=O)[O-] 2148957680 GIYUXISGMLIBMU-UHFFFAOYSA-N 302.312 -0.507 5 10 DBBE COC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1Cl)C(N)=O 2152374815 SNCAPIBBEGQLOB-ZETCQYMHSA-N 302.674 -0.127 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CO)[C@H](C)O 2174124538 WSWPEBWMLFPKHK-IUCAKERBSA-N 304.324 -0.077 5 10 DBBE O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc([N+](=O)[O-])s1 2177877117 MUPZQMKSLFXEPP-SXILTZBTSA-N 302.308 -0.511 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)CN 2182586289 PMKSQXVLFHYLSA-ZETCQYMHSA-N 307.303 -0.360 5 10 DBBE COCC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CNC1 2190698191 KDSQTLHDVTVIEX-UHFFFAOYSA-N 301.324 -0.139 5 10 DBBE CCN1CCN(CCn2c([N+](=O)[O-])cnc2C)S1(=O)=O 2195781039 QRBBLISCNVLOOT-UHFFFAOYSA-N 303.344 -0.018 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=NCC[S@@](=O)CCOC)[nH]1 2207030149 SWXPPKJWQUSLHF-HXUWFJFHSA-N 303.344 -0.923 5 10 DBBE Nc1ccc(S(=O)(=O)NCC(=O)NC2CC2)c([N+](=O)[O-])c1 50657918 QMXBFMMFKVKWMJ-UHFFFAOYSA-N 314.323 -0.266 5 10 DBBE CNC[C@@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O 52125709 MVDAZYXLWHOMJN-MRVPVSSYSA-N 315.307 -0.680 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 157489436 WIAQUHISEVGMMQ-UHFFFAOYSA-N 323.356 -0.644 5 10 DBBE NS(=O)(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1Cl 207004082 PDIYYBBIOZAWPS-UHFFFAOYSA-N 315.716 -0.457 5 10 DBBE CNS(=O)(=O)CCNc1ncc(C(=O)O)cc1[N+](=O)[O-] 231014522 NTXUMRYDHXUDMF-UHFFFAOYSA-N 304.284 -0.351 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@H](O)CC(F)(F)C1 615908084 MDWWUBOFVNPNEJ-SECBINFHSA-N 317.248 -0.015 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(c2ncnc(F)c2[N+](=O)[O-])C1 703171223 MZVNDZCTWWADDK-ZCFIWIBFSA-N 305.291 -0.348 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2nnc(O)cc2C1 1138441361 QNJYGJDXLIPVSN-UHFFFAOYSA-N 304.266 -0.128 5 10 DBBE O=C(NC[C@@]12COCCN1C(=O)OC2)c1ccc([N+](=O)[O-])[nH]1 1174571504 WPWSSSLZGLPNHZ-LBPRGKRZSA-N 310.266 -0.126 5 10 DBBE CCc1[nH]nc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)c1[N+](=O)[O-] 1298971971 DLFZESIMUYWWMY-RKDXNWHRSA-N 323.309 -0.390 5 10 DBBE C[C@H](C[S@](C)=O)N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1446794710 OUAIVNITGISWLJ-BTKVJGODSA-N 315.351 -0.018 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1Cc2cnccc2NC1=O 1471654555 WVBGGGSAABRUQO-SNVBAGLBSA-N 316.277 -0.134 5 10 DBBE CN(CCNC(=O)c1ncccn1)Cc1c([N+](=O)[O-])ncn1C 1480926772 ZZLQAJNZUBICHS-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE CCn1[nH]c(C)nc1=NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1528979599 BMOLXXZUCCJCTO-UHFFFAOYSA-N 306.282 -0.263 5 10 DBBE COC(=O)[C@@]1(O)CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 1650955583 WDSHDPMJYPSSGA-GFCCVEGCSA-N 312.282 -0.764 5 10 DBBE CCNS(=O)(=O)[C@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 1651695141 FDXRIVFJOXOLJX-QMMMGPOBSA-N 303.344 -0.154 5 10 DBBE CCn1ncnc1CNCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1723019517 CUKPGGHGABJNTE-GHMZBOCLSA-N 310.358 -0.099 5 10 DBBE CN(C)C[C@H](O)CNC(=O)C(=O)Cc1ccccc1[N+](=O)[O-] 1866062219 HFUNOEMDTKCESE-LLVKDONJSA-N 309.322 -0.255 5 10 DBBE O=C(NC[C@@H](O)Cn1ccccc1=O)c1ccc([N+](=O)[O-])cn1 1891181294 TUQZAVAYTJDKOX-LLVKDONJSA-N 318.289 -0.058 5 10 DBBE C[S@](=O)(=NS(=O)(=O)c1cncc([N+](=O)[O-])c1)C1CNC1 1924600970 UYNYPZOFHJTUNM-LJQANCHMSA-N 320.352 -0.252 5 10 DBBE O=C(O)[C@@]1(n2nc([N+](=O)[O-])nc2Br)CCNC1 1941358192 CGTZORZZDFRCMC-SSDOTTSWSA-N 306.076 -0.278 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)C[C@]1(O)CNC[C@H]1O 2157172536 RNDHJKZGUHFSAZ-GHMZBOCLSA-N 302.308 -0.936 5 10 DBBE CCN=c1cc([N+](=O)[O-])cc(NCCNS(N)(=O)=O)[nH]1 2157532589 PHMGQMRLSMSPJA-UHFFFAOYSA-N 304.332 -0.952 5 10 DBBE O=C(O)[C@@H](CO)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2188008113 LWNPAKYPDOWEAM-SSDOTTSWSA-N 304.280 -0.434 5 10 DBBE O=Cc1ccc(O[C@@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c1 37693028 PFRJYRZFNBBAEY-GXSJLCMTSA-N 301.276 -0.056 5 10 DBBE Nc1ccc(S(=O)(=O)N(CCO)CCO)c([N+](=O)[O-])c1 50669670 ZEMOBIGUKZBKJE-UHFFFAOYSA-N 305.312 -0.848 5 10 DBBE Nc1c(C(=O)NC[C@@H]2CN3CCN2CC3)cccc1[N+](=O)[O-] 178968799 ZKHZSNRSXANGMG-SNVBAGLBSA-N 305.338 -0.093 5 10 DBBE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 592918952 KXPIDXRJPRYUPU-SCZZXKLOSA-N 309.278 -0.014 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NCC[C@@]1(O)CCOC1 594793592 DSTBNOZHNIIYIU-LLVKDONJSA-N 317.323 -0.190 5 10 DBBE CCOC(=O)CC1(NC(=O)Cn2ccc([N+](=O)[O-])n2)COC1 1158268034 GNMFVNZCNZVLJP-UHFFFAOYSA-N 312.282 -0.370 5 10 DBBE COC(=O)[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccnn1C 1329537771 DXJRQGGREHNCIN-SNVBAGLBSA-N 322.281 -0.294 5 10 DBBE CO[C@@H](C)CC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331544802 ZYPANXNUAVLKTG-LURJTMIESA-N 306.300 -0.442 5 10 DBBE COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CC(CO)C1 1347136333 GGBWXMSGYMOCLF-UHFFFAOYSA-N 323.305 -0.330 5 10 DBBE CN(CCOCCNCc1ccccc1[N+](=O)[O-])C(=O)C(N)=O 1508181355 XYWHCMLMPRNMNE-UHFFFAOYSA-N 324.337 -0.355 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC2(CC1)NC(=O)NC2=O 1540590339 IGMNWMRCFLTMRF-UHFFFAOYSA-N 322.281 -0.858 5 10 DBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nn1ccnn1 1636056760 WBVOMEWRBZGPFT-UHFFFAOYSA-N 318.249 -0.318 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2CCCO)n1 1636199636 PUGAXVIROCILHO-JTQLQIEISA-N 311.342 -0.095 5 10 DBBE COc1cc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 1758929009 GLWDLGUFQKXXHJ-PSASIEDQSA-N 323.309 -0.661 5 10 DBBE O=C(CC1(O)CCC1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759695256 NXTGGWIWHUOQOT-JLVKAVFRSA-N 311.338 -0.255 5 10 DBBE COC(=O)[C@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1866022451 ZVQBYMGVKGQCNS-VIFPVBQESA-N 311.294 -0.076 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 2192663271 WGMKPTLRPUAIGC-VXNVDRBHSA-N 301.328 -0.631 5 10 DBBE CC(=O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)s1 2201039041 YQSUJDXDVBLWHO-NRPADANISA-N 302.308 -0.238 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)c2cnc(O)s2)n1 2240634006 JQNWCEDTYWLMDO-UHFFFAOYSA-N 319.324 -0.031 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]2[C@H](O)CO)cn1 2286205537 CXQRIMBQISHVLQ-RKDXNWHRSA-N 303.296 -0.894 5 10 DBBE NNc1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] 161522051 IJTKMSMIQSBUPF-ZETCQYMHSA-N 314.323 -0.203 5 10 DBBE C[C@@](CO)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 313526448 WSAQFWAXVRZTCB-JTQLQIEISA-N 304.280 -0.291 5 10 DBBE C[C@H]1CN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CCN1CCO 445219230 XPKVUIJRTWJZQW-VIFPVBQESA-N 310.310 -0.166 5 10 DBBE CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593541963 CYJLWEIZHJJMKC-SECBINFHSA-N 314.323 -0.111 5 10 DBBE Cn1c(C(=O)NC[C@@]2(OCCO)CCOC2)ccc1[N+](=O)[O-] 597992238 BOSRRCRRUUFLIX-ZDUSSCGKSA-N 313.310 -0.169 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CC[C@H]2CN3)n1 599098943 DOWYRCRKGGRJGE-SFYZADRCSA-N 301.328 -0.547 5 10 DBBE CNC(=O)NC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CCO1 599128867 MUMMVLAIKBAIEV-VIFPVBQESA-N 312.330 -0.229 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)n1 1124308924 ZJWCFLCSKMWPMW-JTQLQIEISA-N 302.312 -0.365 5 10 DBBE CN(C)S(=O)(=O)Cc1noc(-c2nn(C)cc2[N+](=O)[O-])n1 1321098536 IYDJOKCXDREDPH-UHFFFAOYSA-N 316.299 -0.230 5 10 DBBE C[C@@H]1COCCN1CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 1472973306 UZEHGONYZPVATB-SECBINFHSA-N 310.310 -0.424 5 10 DBBE COCCCCN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1484272044 DRWWFDPAUOVIPL-GHMZBOCLSA-N 301.343 -0.759 5 10 DBBE COc1ncc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1580760614 XWAYNGAVDRZDFE-NXEZZACHSA-N 323.309 -0.661 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ncccn1 1584954600 YMUQZCYDKTYMRM-RKDXNWHRSA-N 305.294 -0.480 5 10 DBBE C[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC(=O)N1 1639928112 WRIFWKIDDGZNEG-ZETCQYMHSA-N 314.323 -0.433 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](CO)[C@@H](CCO)C2)c1 1655113001 LASPUSUCLQSYFZ-GMXVVIOVSA-N 314.342 -0.925 5 10 DBBE CN(CCNC(=O)Cn1ncnn1)c1ccc([N+](=O)[O-])cc1 1689822477 YIDJIZCMNAGKMR-UHFFFAOYSA-N 305.298 -0.166 5 10 DBBE CCC(=O)N(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1704465113 YDMCMAKCHFNQKW-VXGBXAGGSA-N 312.370 -0.336 5 10 DBBE O=C(NC1(CNCC(=O)N2CCC2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1715095828 SXQUSFDPZRUPCN-VXGBXAGGSA-N 324.381 -0.098 5 10 DBBE CCn1ncc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1721848630 KXNNAMZYLDJQPF-QKXNICGJSA-N 322.325 -0.635 5 10 DBBE N[C@H]1COCC[C@@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2148815726 HXSPSJDOTBKWFC-UWVGGRQHSA-N 302.312 -0.616 5 10 DBBE N[C@H]1COC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2149988252 MYSJUGIIBZIVHK-DTWKUNHWSA-N 305.287 -0.262 5 10 DBBE CN=c1[nH]c(C)c([N+](=O)[O-])c(=NC[C@@H]2CCS2(=O)=O)[nH]1 2150729173 AIYBMRPJJUDWNX-ZETCQYMHSA-N 301.328 -0.822 5 10 DBBE NCC1(O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1 2154725722 CGYXJNNORBJVCZ-UHFFFAOYSA-N 305.287 -0.572 5 10 DBBE CN(C[C@H]1CCCS1(=O)=O)c1ncc([N+](=O)[O-])c(=N)[nH]1 2157641970 ZRKHEHQHBCPZRM-SSDOTTSWSA-N 301.328 -0.189 5 10 DBBE C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](O)C(=O)O 2176845222 YERKXYCPLADIMW-IMTBSYHQSA-N 304.280 -0.293 5 10 DBBE O=Cc1cc(N2CC3(C2)OC[C@H](O)[C@@H]3O)c([N+](=O)[O-])s1 2183626337 HDELWBAZPLFZRW-IUCAKERBSA-N 300.292 -0.220 5 10 DBBE CNS(=O)(=O)C1CN(c2cc(NN)cc([N+](=O)[O-])c2)C1 2187314528 NWKQCXKHTLOYOI-UHFFFAOYSA-N 301.328 -0.382 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 2192675247 IEGPFDFNQMYSMR-SVRRBLITSA-N 319.364 -0.229 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1Nc1ccnc(O)c1[N+](=O)[O-] 2207460333 KDYITWPMVGGPOJ-JGVFFNPUSA-N 303.296 -0.081 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)NC(CO)CO)c1F 2235869422 SYQOWEBSFLHICP-UHFFFAOYSA-N 312.250 -0.496 5 10 DBBE CCCNC(=O)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 16639559 SJDIEXGRBINYHT-UHFFFAOYSA-N 316.339 -0.019 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 147418638 DAXDATBNTCQMKW-UHFFFAOYSA-N 303.300 -0.876 5 10 DBBE CNc1cc(S(=O)(=O)NCCNC(N)=O)ccc1[N+](=O)[O-] 147420005 WZRCVVKKLCZXHX-UHFFFAOYSA-N 317.327 -0.417 5 10 DBBE CN(CCN1CCOCC1)c1ncc([N+](=O)[O-])cc1C(N)=O 263992538 DDKCQZWBZFZHPC-UHFFFAOYSA-N 309.326 -0.143 5 10 DBBE CN(C[C@@H](O)CN)S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 313601822 VWZOVNPZMCKNEQ-QMMMGPOBSA-N 307.303 -0.326 5 10 DBBE NC(=O)[C@@]1(O)CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 320900261 QFTFWBMFVWYPDY-CYBMUJFWSA-N 308.294 -0.545 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3CNC[C@H]32)n1 599105358 CCPOYHZNBGQEAY-DTWKUNHWSA-N 315.355 -0.299 5 10 DBBE Cn1cc(C(C)(C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)nn1 1130052409 KHKYTULOZXVPQD-UHFFFAOYSA-N 320.309 -0.064 5 10 DBBE Cn1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1O 1293303273 DAVVHQXWSAFZNZ-VXNVDRBHSA-N 311.298 -0.973 5 10 DBBE CN(CCNC(=O)c1cnn(C)n1)c1ncccc1[N+](=O)[O-] 1316593912 FPWLGEXLWUYIER-UHFFFAOYSA-N 305.298 -0.016 5 10 DBBE C[C@@H]1CS(=O)(=O)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 1535890811 INLSVJLMQZLASV-SECBINFHSA-N 316.339 -0.173 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1CCCO 1569470202 OHVCVKOPKKXKOP-SNVBAGLBSA-N 311.342 -0.095 5 10 DBBE C[C@@H]1CS(=O)(=O)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1626563030 ZKJCXYQLHVFPTE-MRVPVSSYSA-N 316.339 -0.023 5 10 DBBE O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](O)Cn1ccnn1 1637560152 SFWAXTDAJVESQU-JTQLQIEISA-N 321.293 -0.258 5 10 DBBE CN1C(=O)[C@H]2CN(C(=O)c3cnc([N+](=O)[O-])n3C)C[C@@H]2C1=O 1889719568 HNFXEIQHEARCOC-BQBZGAKWSA-N 307.266 -0.985 5 10 DBBE C[C@H]1[C@@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 2126120753 WPBKRXPKCYSFSX-NJGYIYPDSA-N 308.341 -0.304 5 10 DBBE NCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2156031249 LLUBYIYKHPUXCW-UHFFFAOYSA-N 307.303 -0.013 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] 2157545572 JRGUNQMMNVZLLG-UHFFFAOYSA-N 306.275 -0.743 5 10 DBBE C[C@H](CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[S@@](C)=O 229802022 JMXYMFABINCONF-GYKIULCDSA-N 304.372 -0.101 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(O)CNC1 312244490 ROCJJGOISOEFQF-UHFFFAOYSA-N 301.324 -0.484 5 10 DBBE COc1ccc(C(=O)N2CC[C@](O)(C(N)=O)C2)cc1[N+](=O)[O-] 319473546 NPVNTURACMRJEH-CYBMUJFWSA-N 309.278 -0.334 5 10 DBBE CNS(=O)(=O)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C 448558956 QQFIPBNXCURROX-UHFFFAOYSA-N 302.312 -0.104 5 10 DBBE C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])c(N)n1 591982437 LWOYGGTUYAOVDW-MRVPVSSYSA-N 309.330 -0.477 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](O)CO)cc1[N+](=O)[O-] 698918036 HVNQEWZGNQQCNG-GZMMTYOYSA-N 304.324 -0.077 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(c2ncnc(N)c2[N+](=O)[O-])C1 703159589 AQZLTQMGKYRXPB-ZCFIWIBFSA-N 302.316 -0.905 5 10 DBBE NCC1(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])COC1 705643069 UNUMLGFOSBGVMO-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](CO)C2)n1 1348136032 KRRFVWLPGBUJHO-QMMMGPOBSA-N 304.328 -0.279 5 10 DBBE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1640375189 PWUFKBNJARUSKL-BBBLOLIVSA-N 322.325 -0.949 5 10 DBBE CN(CCNC(=O)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688312740 PDSSQRCITCFWJO-GHMZBOCLSA-N 309.326 -0.798 5 10 DBBE CCN(CCNC(=O)Cc1ccn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688397655 DXNQORNSITWYPY-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE O=C(O)[C@H](O)[C@@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1865945884 FPTTVZWCTPIZBD-HTQZYQBOSA-N 304.642 -0.007 5 10 DBBE C[C@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2174115463 FTUAPLTZWSMYTK-POYBYMJQSA-N 308.287 -0.246 5 10 DBBE COc1nc(N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)ncc1[N+](=O)[O-] 2174663327 APHMRTMJVULKKG-BDINMYNLSA-N 300.296 -0.152 5 10 DBBE O=[N+]([O-])c1c(N2C[C@H](O)[C@H](O)[C@H]2CO)nc2sccn12 2200877125 TVTLZKAGZHKGLM-DSYKOEDSSA-N 300.296 -0.793 5 10 DBBE CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC(N)=O 50656345 VEOMYTATMREBBT-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNC(N)=O 147416235 HQWHSVIZHSTVBC-UHFFFAOYSA-N 317.327 -0.417 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1COC[C@@H]1O 323476104 KWFYESNHGVVLFX-CBAPKCEASA-N 306.271 -0.228 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 343028750 SHPZQBGYMIESPD-SNVBAGLBSA-N 319.277 -0.326 5 10 DBBE O=C(N[C@@H](CO)CN1CCOCC1)c1ccc([N+](=O)[O-])cn1 556804510 UILPWKTVQFPXBL-SNVBAGLBSA-N 310.310 -0.587 5 10 DBBE CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)NC 593606878 YSHKRKLEVGSOCC-QMMMGPOBSA-N 302.312 -0.207 5 10 DBBE COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] 593632326 CTGFHUOPSRMNKL-DTWKUNHWSA-N 317.323 -0.240 5 10 DBBE O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC(O)(CO)C1 597703447 VDMCTWZAUHNGFF-UHFFFAOYSA-N 302.233 -0.019 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NC[C@@H]2CCCO2)n1 772061776 SKDZSYKMBZENEE-QMMMGPOBSA-N 312.282 -0.220 5 10 DBBE O=C(c1cc([N+](=O)[O-])c2nsnc2c1)N1CC(O)(CO)C1 854673673 KFAFMHPCVCNJQI-UHFFFAOYSA-N 310.291 -0.221 5 10 DBBE Cn1ccc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 941007009 AEXQWIPZWJIMEA-ZYHUDNBSSA-N 321.337 -0.240 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCS(=O)(=O)C2)n1 1124763564 NSTAZDAYIHODFU-ZETCQYMHSA-N 302.312 -0.272 5 10 DBBE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 1133725220 ZTMQZDPGZJMTDQ-SCZZXKLOSA-N 316.339 -0.269 5 10 DBBE Cn1nnc2c1CC[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C2 1143660051 JTJWRRFVODULCF-SSDOTTSWSA-N 305.298 -0.256 5 10 DBBE Cc1ccc(NC(=O)CN2CCNC(=O)C2)c(N)c1[N+](=O)[O-] 1179879514 MSMYPTWKICADGO-UHFFFAOYSA-N 307.310 -0.144 5 10 DBBE NC(=O)[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(N)=O 1196091750 BKGFRFSWYBIJED-NXEZZACHSA-N 310.285 -0.248 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([S@@](C)=O)CC2)n1 1348135839 KJNMYIWPGWGWLC-LJQANCHMSA-N 322.368 -0.482 5 10 DBBE O=C(CCc1ncc[nH]1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1506048955 HZJXFEPBILGHOA-NXEZZACHSA-N 321.337 -0.228 5 10 DBBE CCS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])cc(C)n1 1627450137 LWOAQRXXCUNUJA-UHFFFAOYSA-N 316.339 -0.033 5 10 DBBE CS(=O)(=O)[C@@H]1CC[C@@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])C1 2145389608 DZYLJJVXMOKCLM-RNFRBKRXSA-N 301.328 -0.403 5 10 DBBE C[C@@H]1C[C@@](C(=O)O)(n2cnc([N+](=O)[O-])n2)CCS1(=O)=O 2151692218 PHIXBPHWVBYBSI-MUWHJKNJSA-N 304.284 -0.437 5 10 DBBE CC(C)NC(=O)[C@@H](C)n1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156825264 REAHBFCGCUERRG-ZCFIWIBFSA-N 305.316 -0.476 5 10 DBBE Cn1cc([N+](=O)[O-])c(=N[C@@H]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)[nH]1 2161135117 IYCFQUFRPGKZTL-AYMMMOKOSA-N 300.340 -0.015 5 10 DBBE Nc1ccc(S(=O)(=O)NCC[C@H](O)CO)cc1[N+](=O)[O-] 2182268022 LKRBOMGPXAUVGQ-ZETCQYMHSA-N 305.312 -0.801 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)CO)c(Cl)c1 90281413 TTWRMZXTHCVNLK-SSDOTTSWSA-N 310.715 -0.120 5 10 DBBE C[C@H](CC[S@@](C)=O)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 128235227 VJAFQYRDDOCECQ-SSBAMLGTSA-N 304.372 -0.101 5 10 DBBE CCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 131922089 OHFNMEBVONQNMP-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](CO)Cc1ccccc1 347438052 MHHMIJGCHZWNLZ-LLVKDONJSA-N 305.294 -0.094 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN2C(=O)OCC[C@@H]2C1 494318162 QWQBMSWOVCGSOX-MRVPVSSYSA-N 310.270 -0.761 5 10 DBBE O=C(CN1CCOCC1=O)NCCOc1ccc([N+](=O)[O-])cc1 547733050 OVOBOWOTYCRQBR-UHFFFAOYSA-N 323.305 -0.051 5 10 DBBE Nc1nccc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] 568900697 WPIPFHRZSRUCAF-ZDUSSCGKSA-N 305.294 -0.076 5 10 DBBE CC(C)(C)n1nnc(C(=O)NCCn2cc([N+](=O)[O-])cn2)n1 597409244 CGDKTEWMYXOVCP-UHFFFAOYSA-N 308.302 -0.037 5 10 DBBE C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCNC1 599097746 MGWRIQSFMLVYAR-RKDXNWHRSA-N 317.371 -0.005 5 10 DBBE O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CNC[C@H]1O 699966576 IDZPGPWWUHNCOD-IONNQARKSA-N 321.742 -0.141 5 10 DBBE C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@]2(CCOC2)O1 1325003647 FJYLNWTXZUJLIJ-CABZTGNLSA-N 311.298 -0.407 5 10 DBBE COc1ncc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)cn1 1332680074 QKHSGEWJCVHYDL-UHFFFAOYSA-N 307.270 -0.656 5 10 DBBE CC[C@@]1(C)NC(=O)N(CC(=O)Nc2c([N+](=O)[O-])ncn2C)C1=O 1521389289 XWQZNRBORIPLPA-GFCCVEGCSA-N 324.297 -0.013 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@H](n2cncn2)C1 1567806400 CQHAXFGLUXJICZ-SNVBAGLBSA-N 318.293 -0.178 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](O)[C@@H](CO)C1 1642949060 ZQXYBWLWGRJVON-KGYLQXTDSA-N 310.306 -0.170 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@H]1CCC(=O)N1 2156814929 YCCDQGJTYJOBKQ-ZCFIWIBFSA-N 303.300 -0.974 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=N[C@H](C)[C@@H](C)S(C)(=O)=O)[nH]1 2170593848 JQYDLAPVQBIRHA-RNFRBKRXSA-N 303.344 -0.496 5 10 DBBE CCN=c1cc(C)c(S(=O)(=O)N2CC([N+](=O)[O-])C2)c[nH]1 2191502838 IQCGWMSSNSVNTH-UHFFFAOYSA-N 300.340 -0.107 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 2192677155 MZZIDVYQINOYTJ-SFYZADRCSA-N 319.364 -0.229 5 10 DBBE CCOC(=O)C[C@H](CO)NC(=O)c1nn(CC)cc1[N+](=O)[O-] 597679459 MJNBWOYHGKBERU-MRVPVSSYSA-N 314.298 -0.145 5 10 DBBE CNc1ncnc(N(C)CCNS(C)(=O)=O)c1[N+](=O)[O-] 689782110 UDBOUMHXQBBMRK-UHFFFAOYSA-N 304.332 -0.588 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(N2CCNC2=O)CC1 1136333643 KFEXONCUMMSEHP-UHFFFAOYSA-N 323.313 -0.798 5 10 DBBE C[C@](Cn1cccn1)(NCCn1ccc([N+](=O)[O-])n1)C(N)=O 1176860648 OCRYBANFNCKONC-GFCCVEGCSA-N 307.314 -0.478 5 10 DBBE CC(C)N(C)CC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1284165918 DZAPAQYUADGZNI-DIACKHNESA-N 324.381 -0.435 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@H]2CCSC2)n1 1329987309 WYRVWGZVZLKYJA-LURJTMIESA-N 320.352 -0.114 5 10 DBBE CNC(=O)C[C@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 1556642126 AKTJPLSHZIIYTI-VIFPVBQESA-N 322.321 -0.035 5 10 DBBE CNC(=O)CN1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1558460402 RUPXWPJLJSPIBD-UHFFFAOYSA-N 310.314 -0.788 5 10 DBBE COC(OC)C(=O)N1CCN(c2c([N+](=O)[O-])cnn2C)CC1 1559284392 ZVSLNPPZCUILNH-UHFFFAOYSA-N 313.314 -0.404 5 10 DBBE O=C(c1cccc([N+](=O)[O-])c1O)N1CC2(C[C@H](O)CNC2=O)C1 1638018869 LZYTZWXKEOOIMQ-QMMMGPOBSA-N 321.289 -0.377 5 10 DBBE CCC[C@@H](O)[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])nc1C 1638801873 QUZGSCPMBYDEBD-NXEZZACHSA-N 300.315 -0.262 5 10 DBBE CN(Cc1cn(C)nn1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1641541430 DWYSHQYAMBQKGM-UHFFFAOYSA-N 306.282 -0.456 5 10 DBBE CCN1C(=O)[C@@H]2CN(c3c([N+](=O)[O-])cnn3C)CCN2C1=O 1650829408 YMBORBZYJPYRKK-VIFPVBQESA-N 308.298 -0.199 5 10 DBBE CC(=O)N1CCN(C(=O)Cn2c(C)c([N+](=O)[O-])ccc2=O)CC1 1652018842 OWDPXZLXPDSBCU-UHFFFAOYSA-N 322.321 -0.244 5 10 DBBE COc1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 1742857619 BNEWEARMBHXOLT-PSASIEDQSA-N 323.309 -0.614 5 10 DBBE CN1C[C@@H](O)[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 2146512300 AWWZFDGOSXAIOK-PSASIEDQSA-N 301.324 -0.452 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC[C@@H]2CO)c([N+](=O)[O-])c1 2148959090 VEFVJSVPXMTSLQ-MRVPVSSYSA-N 302.312 -0.364 5 10 DBBE CNCC[S@@](C)(=O)=NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2161170279 CKNIUGHPWSWHAQ-LJQANCHMSA-N 322.368 -0.004 5 10 DBBE COC[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])s1 2233866213 OVAGMWUXZRXLBN-XSSZXYGBSA-N 302.308 -0.151 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CC[C@](O)(CO)[C@@H](O)C1 2234095244 DXLHYNCMJCOCBF-KWQFWETISA-N 302.308 -0.414 5 10 DBBE NCc1cc([N+](=O)[O-])ccc1O[C@@H]1CS(=O)(=O)C[C@@H]1O 37709993 NGZITWTZBVCIFH-GXSJLCMTSA-N 302.308 -0.410 5 10 DBBE Cc1nn(C[C@H](O)CNC(C)(CO)CO)c(C)c1[N+](=O)[O-] 125863080 FWNSKPJSQHAPQZ-SNVBAGLBSA-N 302.331 -0.898 5 10 DBBE CCOCCOCCN(C)C(=O)Cn1cnc([N+](=O)[O-])n1 348200601 MJBLCTHXYGUYTQ-UHFFFAOYSA-N 301.303 -0.302 5 10 DBBE CO[C@](C)(CO)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 594231431 WTSAUNJXTXBNOC-NSHDSACASA-N 301.303 -0.512 5 10 DBBE COCCN(C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599288335 RMWZGWJVYADMII-UHFFFAOYSA-N 321.359 -0.815 5 10 DBBE Nc1cccc(S(=O)(=O)N[C@H]2CCNC2=O)c1[N+](=O)[O-] 693960696 SVVFTXQFCGHLQE-ZETCQYMHSA-N 300.296 -0.656 5 10 DBBE CS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 845822735 VEULNGYZWVYZDS-UHFFFAOYSA-N 309.325 -0.687 5 10 DBBE COCC[C@@H](NC(=O)Cn1c([N+](=O)[O-])cnc1C)C(=O)OC 1160701970 DSXHULNZPLHRJR-SECBINFHSA-N 314.298 -0.206 5 10 DBBE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 1288986200 APTHFTIWMWHFNC-SFYZADRCSA-N 302.312 -0.659 5 10 DBBE CN1C(=O)CN=C1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] 1301592596 IEICGINWILNCTO-UHFFFAOYSA-N 305.294 -0.025 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCC(=O)NCC(F)(F)F)n1 1325058281 RDOQROWNBTZFLM-UHFFFAOYSA-N 309.204 -0.263 5 10 DBBE C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CN1 1329070513 RKOZXWBMBRYDPD-NXEZZACHSA-N 324.341 -0.836 5 10 DBBE Cc1ccncc1CNCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1484482908 ZLHXMGOPNSRUDF-ZIAGYGMSSA-N 322.365 -0.034 5 10 DBBE C[C@H]1CN(CCO)[C@H](C)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] 1559215443 AXWWMGNREUJNAM-ZJUUUORDSA-N 323.353 -0.020 5 10 DBBE Cn1ccc(CC(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1688660711 DBTXUJPJAYVWIV-VXGBXAGGSA-N 321.337 -0.798 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ncc[nH]1 1689079373 OTTLAOYHJTXDOG-NXEZZACHSA-N 309.326 -0.466 5 10 DBBE Cc1ncc(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C 1743455756 BLGJBTRJODXXNA-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CC[C@@H](O)C1 1866341640 VBDFSWVFHGOOOI-SECBINFHSA-N 319.273 -0.216 5 10 DBBE N[C@H]1CS(=O)(=O)C[C@H]1Oc1nc(Cl)ncc1[N+](=O)[O-] 2128225189 JBZXZYZOKZPEDO-UJURSFKZSA-N 308.703 -0.459 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CCOC[C@H]1[C@H](O)CO 2146323605 NCHLSVBPTIEINW-JGVFFNPUSA-N 304.690 -0.403 5 10 DBBE N[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2149989104 SNJFQFGNHYSLCK-MNOVXSKESA-N 301.324 -0.260 5 10 DBBE C[C@H](CN=c1nc(N(C)C)c([N+](=O)[O-])c[nH]1)S(C)(=O)=O 2157675193 UCZBLXMUIGKVGO-SSDOTTSWSA-N 303.344 -0.282 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H](O)C2)cn1 2161389838 AQKPSXKIWONCBU-YUMQZZPRSA-N 303.296 -0.894 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC(O)(CO)C2)cc1 2171956653 JTCGALADEDUHET-UHFFFAOYSA-N 302.308 -0.536 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@](O)(CO)[C@@H](O)C1 2234099666 FMUNKWWDMYGSTB-XVKPBYJWSA-N 304.690 -0.667 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2NN)C1 49086984 BAEYCCHZBRQCLJ-QMMMGPOBSA-N 315.355 -0.137 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50674112 FYLMHXZUXWLQLB-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE Cc1nn(C)c(C(=O)N2CC(NC(=O)C3CC3)C2)c1[N+](=O)[O-] 189393017 FZHBJDORESBBBK-UHFFFAOYSA-N 307.310 -0.013 5 10 DBBE CN(CC(=O)N1CCNCC1)C(=O)c1cc([N+](=O)[O-])ccc1N 262244686 RYNFMYFXIOZEKZ-UHFFFAOYSA-N 321.337 -0.319 5 10 DBBE C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)CN1CCOCC1 349145432 FINXTKDZDDCULR-SNVBAGLBSA-N 312.330 -0.729 5 10 DBBE CN1CCC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594758586 DSZIZPWYSXVHPT-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE C[C@H]1CCNC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599107206 KXJYPMXTDTZHOZ-YUMQZZPRSA-N 303.344 -0.395 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@]1(C)CO 599350271 PTGQYUVYKDWOFI-KWQFWETISA-N 318.355 -0.033 5 10 DBBE COC[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)OC 774739082 BFBNQHWUXUQPCA-VIFPVBQESA-N 301.255 -0.087 5 10 DBBE CC(=O)c1cn(CC(=O)OCc2cn(C)nc2[N+](=O)[O-])nn1 847786088 MIOOAWMJFFLDSU-UHFFFAOYSA-N 308.254 -0.134 5 10 DBBE CC[C@@H]1NCC[C@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1118868662 ZZOOCPXBAPEALY-WDEREUQCSA-N 324.341 -0.836 5 10 DBBE O=CN1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 1261580479 ROILTWUCGWYLJC-UHFFFAOYSA-N 314.323 -0.157 5 10 DBBE O=C(NCCN(Cc1nc(O)n[nH]1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1266592650 XQEHJRFALFSQNJ-RKDXNWHRSA-N 310.314 -0.744 5 10 DBBE CCN1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 1439517417 DOQYGPNCKHKUFJ-NSHDSACASA-N 322.321 -0.116 5 10 DBBE CS(=O)(=O)[C@@H]1CC[C@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])C1 2145389607 DZYLJJVXMOKCLM-NKWVEPMBSA-N 301.328 -0.403 5 10 DBBE NC(=O)C1(N)CCN(c2ncnc(Cl)c2[N+](=O)[O-])CC1 2162781819 ZAZYWTYQSKOEJV-UHFFFAOYSA-N 300.706 -0.179 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1(CO)COC1 2189265284 YPJZNFKLXZCJLD-UHFFFAOYSA-N 306.271 -0.227 5 10 DBBE O=C(N[C@H]1C[C@@H](CO)[C@H](O)[C@@H]1O)c1ccc([N+](=O)[O-])s1 2355675078 MUPZQMKSLFXEPP-AJSHEINVSA-N 302.308 -0.511 5 10 DBBE C[N+]1(C)CCN(C(=O)CCC(=O)N2CC[N+](C)(C)CC2)CC1 282351 OWXHEUYVQOHGAK-UHFFFAOYSA-N 312.458 -0.396 5 10 DBBE C[C@@H](O)[C@@H](N)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 80749088 JDIHQIWMZLDBPI-SVRRBLITSA-N 305.312 -0.713 5 10 DBBE CNC(=O)[C@H]1COCCN1c1ncnc(Cl)c1[N+](=O)[O-] 160270227 CIWPLLBCLXGODO-ZCFIWIBFSA-N 301.690 -0.011 5 10 DBBE CNc1ccc(C(=O)N2CC[C@@](O)(C(N)=O)C2)cc1[N+](=O)[O-] 319351748 QTRBUBSDJYMMCT-ZDUSSCGKSA-N 308.294 -0.301 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](N)C(=O)O 323243046 BDCDNADCBUOSCJ-ZETCQYMHSA-N 303.296 -0.407 5 10 DBBE C[C@@H](O)[C@H]1CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599346351 IGTCXOTZZVVAMB-HTQZYQBOSA-N 304.328 -0.138 5 10 DBBE C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](O)CO 704948340 RRVONOCFRYQORO-SVRRBLITSA-N 308.287 -0.246 5 10 DBBE CN(C)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 717327879 BVZMJFMVCWZQCT-SNVBAGLBSA-N 303.340 -0.204 5 10 DBBE NC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1=O 854911267 SCAXIKIMRNDNTL-UHFFFAOYSA-N 324.268 -0.496 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)C(=O)NCCF 1128451319 KTYFALUXRZCEJI-SSDOTTSWSA-N 301.278 -0.310 5 10 DBBE O=[N+]([O-])c1ccnn1CN1CCO[C@]2(CCS(=O)(=O)C2)C1 1261480357 NMGCVFBVLOWNEU-LLVKDONJSA-N 316.339 -0.362 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CNCCC1(F)F 1261495164 ULHRLYZSAZIWPE-SNVBAGLBSA-N 316.264 -0.130 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cn(C)cn1 1267362438 HSGZLKNBOLSVFM-UHFFFAOYSA-N 321.341 -0.076 5 10 DBBE Cc1nc[nH]c1CC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296174053 BZEATGKJUBQQOB-MWLCHTKSSA-N 309.326 -0.500 5 10 DBBE C[C@@H]([C@@H](C)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1)S(C)(=O)=O 1318561673 QMBHLDORMKVAGI-SFYZADRCSA-N 319.343 -0.534 5 10 DBBE CC(C)(C)[S@](=O)CCNC(=O)Cn1cnc([N+](=O)[O-])n1 1338961543 XXTGJEGFNYVMTM-HXUWFJFHSA-N 303.344 -0.150 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@H]2C(=O)OC)n1 1437503181 MGMJFJSSKRHPLH-OIBJUYFYSA-N 312.282 -0.129 5 10 DBBE CCOC(=O)[C@@H](CO)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1596547782 XVDLSRNLVGNSOH-MNOVXSKESA-N 312.278 -0.332 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCC3(CC2)C[C@H](O)CNC3=O)n1 1643261999 JQVKSLKTOJRKJU-VIFPVBQESA-N 309.326 -0.204 5 10 DBBE CC(C)CNC(=O)CN(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1663179710 BXOGKEHJTBXQDE-GHMZBOCLSA-N 300.359 -0.528 5 10 DBBE O=C(O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 1865946167 UPPIYADZAGRXIZ-HTQZYQBOSA-N 304.642 -0.007 5 10 DBBE N[C@@H]1CS(=O)(=O)C[C@H]1Oc1nc(Cl)ncc1[N+](=O)[O-] 2128225187 JBZXZYZOKZPEDO-INEUFUBQSA-N 308.703 -0.459 5 10 DBBE C[S@@](=O)(=NC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCNCC1 2153864639 YABILGRKRIHYSD-HXUWFJFHSA-N 301.328 -0.019 5 10 DBBE O=C(O)CCONS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2157157590 DANKXXXZUQSQAR-UHFFFAOYSA-N 306.252 -0.015 5 10 DBBE CN=c1[nH]c(N(C)CCCS(C)(=O)=O)ncc1[N+](=O)[O-] 2157683693 JVHRIFGASFQJFL-UHFFFAOYSA-N 303.344 -0.281 5 10 DBBE O=C(Nc1cc(Cl)ncc1[N+](=O)[O-])[C@@H]1NC[C@H](O)[C@@H]1O 2201161286 KCAZINHNSWMHIH-ZQARSLAVSA-N 302.674 -0.725 5 10 DBBE Cc1c([N+](=O)[O-])c(=N[C@H]2CCN(S(C)(=O)=O)C2)[nH]n1C 2207485015 FLTZQMOHVULVJH-QMMMGPOBSA-N 303.344 -0.496 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO)CCO 50669672 OIDJYZWZMMKXFX-UHFFFAOYSA-N 305.312 -0.848 5 10 DBBE Cc1nn(C[C@@H](O)CNC[C@](C)(O)CO)c(C)c1[N+](=O)[O-] 90288488 WXYOFWCDNMKOEA-JQWIXIFHSA-N 302.331 -0.898 5 10 DBBE COCC(COC)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594779667 XXVDANNJIZQYJI-UHFFFAOYSA-N 305.312 -0.071 5 10 DBBE C[C@@H](N)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 595108179 IVEJIDGZRWDSFI-SCZZXKLOSA-N 316.339 -0.274 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](O)[C@@H](C)O 717400812 GBUXAPZBFGQFMZ-SCZZXKLOSA-N 304.324 -0.077 5 10 DBBE CNC(=O)c1ccc(N(C)CCS(N)(=O)=O)c([N+](=O)[O-])c1 1164055080 GXIPZHWPHFECSJ-UHFFFAOYSA-N 316.339 -0.321 5 10 DBBE CC(C)N(C)C(=O)CNCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1322506089 VQIDCCYVSRSSFS-VXGBXAGGSA-N 314.386 -0.044 5 10 DBBE Cc1nn(C)c(C(=O)N2CCCS(=O)(=O)CC2)c1[N+](=O)[O-] 1457615442 NLGLHHMGLIFJKZ-UHFFFAOYSA-N 316.339 -0.103 5 10 DBBE Nc1nc(O)ncc1N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1466938161 SDDVJPUPEVABEK-HTQZYQBOSA-N 308.298 -0.922 5 10 DBBE NC(=O)c1c[nH][nH]c1=NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1866083685 GEIBJLBRPCSLIA-UHFFFAOYSA-N 320.221 -0.001 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2ccnc(Cl)c2[N+](=O)[O-])C1 1914986740 JOQCPVMMDUYZKB-UHFFFAOYSA-N 320.714 -0.244 5 10 DBBE CN1CC[C@H](Oc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1=O 127622995 JNXKWYNGGUTREB-VIFPVBQESA-N 315.307 -0.148 5 10 DBBE C[C@@H](N)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCO1 156453037 OMPVXXXGPBKLJB-PSASIEDQSA-N 316.339 -0.274 5 10 DBBE COC[C@@H](C(N)=O)N(C)C(=O)COc1ccccc1[N+](=O)[O-] 354632793 WWQFPQMSHBCYMF-JTQLQIEISA-N 311.294 -0.068 5 10 DBBE CNc1nccc(C(=O)NCC[C@](C)(O)COC)c1[N+](=O)[O-] 567179135 ZVQLBGMOUMPLPK-ZDUSSCGKSA-N 312.326 0.549 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2C[C@H]1C[S@@]2=O 593381566 INDMIAMEAGEHGX-AJHYNDKWSA-N 313.339 -0.294 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@](C)(CN)C2)n1 599105401 HFZZBNDFSKLTSQ-JTQLQIEISA-N 303.344 -0.312 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nc(N(C)C)no1 1267194398 ONJIJCWZDPRCMX-RKDXNWHRSA-N 312.330 -0.651 5 10 DBBE COc1cc(C(=O)NN2CC(=O)NC2=O)c([N+](=O)[O-])cc1F 1457530440 RJBFLDZCFCYDLP-UHFFFAOYSA-N 312.213 -0.061 5 10 DBBE C[C@@]1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC(=O)N1 1625995422 MNLPEKHBFNIZNN-ZDUSSCGKSA-N 308.294 -0.459 5 10 DBBE NC(=O)C1(O)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 1645613645 BRQITFLQJRCQEU-LBPRGKRZSA-N 309.322 -0.060 5 10 DBBE Cc1cc(O)nc(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1652071427 XJTKGLTVZCPLGA-NXEZZACHSA-N 307.310 -0.196 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1)N1CCOCC1 1656343645 FIZZOQQQEHOSLW-UHFFFAOYSA-N 312.238 -0.477 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(CO)CO 2179743977 WHHXHZZSQUNATL-UHFFFAOYSA-N 304.324 -0.218 5 10 DBBE Nc1cccc(S(=O)(=O)N[C@H]2COC[C@H]2O)c1[N+](=O)[O-] 323379654 GIVAFBMGPKQROP-JGVFFNPUSA-N 303.296 -0.785 5 10 DBBE COCCN1CCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 341865997 NUQHPGIECXATCV-SNVBAGLBSA-N 312.330 -0.587 5 10 DBBE O=C(N=c1cc[nH]cc1[N+](=O)[O-])NCCC1CS(=O)(=O)C1 615845146 BVLNJTVIPRYPLV-UHFFFAOYSA-N 314.323 -0.032 5 10 DBBE CN(CCS(N)(=O)=O)c1ncc(C(=O)O)cc1[N+](=O)[O-] 719722330 JNHAOLAXXPDWHO-UHFFFAOYSA-N 304.284 -0.587 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](CO)C2)n1 1348136029 KRRFVWLPGBUJHO-MRVPVSSYSA-N 304.328 -0.279 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCCN(CCCO)C1 1624411078 SNGHXERZVSCWHU-NSHDSACASA-N 311.342 -0.246 5 10 DBBE O=C1NCC2(CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)O1 1626943975 MNAVFGOJXKKDRB-JTQLQIEISA-N 307.262 -0.051 5 10 DBBE C[S@](=O)(CCN)=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 1924738197 IOKLMLGTYMHHTR-IBGZPJMESA-N 322.368 -0.070 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1O[C@H]1CS(=O)(=O)C[C@H]1N 2177958920 LXEMUKBOZNBKDV-SFYZADRCSA-N 304.328 -0.377 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N 2179201169 GXNQCDLJLDUHLS-WDEREUQCSA-N 301.324 -0.059 5 10 DBBE Cc1nc(CS(=O)(=O)C[C@H](N)C(=O)O)ccc1[N+](=O)[O-] 2195336924 RWFIXZVRQIPHFG-QMMMGPOBSA-N 303.296 -0.375 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=N[C@@H]2CCS(=O)(=O)C2)[nH]1 2286727478 PNVKABCLHSUTOR-SSDOTTSWSA-N 302.312 -0.448 5 10 DBBE CN1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1=O 127623233 JNXKWYNGGUTREB-SECBINFHSA-N 315.307 -0.148 5 10 DBBE C[C@@H](O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 157494183 XBHAILVFESFJOI-RXMQYKEDSA-N 310.357 -0.057 5 10 DBBE CNC(=O)CN1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 368837465 DTBSSGOCFZVHAP-UHFFFAOYSA-N 324.341 -0.928 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(C[C@@H]2CCOC2)CC1 488835325 WUKDROMCCXMCAW-NSHDSACASA-N 324.341 -0.633 5 10 DBBE C[C@]1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCOC1=O 849394341 RSKSTRYRPBXNCA-JTQLQIEISA-N 301.280 -0.026 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CC(C2CS(=O)(=O)C2)C1 1141255747 YTANBTSARCZYJE-UHFFFAOYSA-N 314.323 -0.706 5 10 DBBE CCNC(=O)CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1267925653 UVSCJFUQBOXHDS-DDHJBXDOSA-N 312.370 -0.195 5 10 DBBE O=C(CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CC1 1316616907 WBLMHGKWXNHRAH-SASUGWTJSA-N 310.354 -0.585 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)C1(C(N)=O)CC1 1567554430 YXADTZWSGAQKLZ-UHFFFAOYSA-N 324.341 -0.858 5 10 DBBE NC(=O)C12CCC(CC1)N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1620632621 WJUHFWOSQFIFPF-QDYJBQRPSA-N 309.326 -0.366 5 10 DBBE C[C@H]1CN(CCO)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N 1642574722 XQACSYXUMUODLI-VIFPVBQESA-N 309.326 -0.289 5 10 DBBE CNC(=O)CN(CC(=O)NC)C(=O)Cc1ccc([N+](=O)[O-])cc1 1644067352 ZECYONQTDUYETE-UHFFFAOYSA-N 322.321 -0.542 5 10 DBBE C[C@@H](O)[C@@H](NC(=O)c1cn2cc([N+](=O)[O-])ccc2n1)C(=O)O 1860400696 QIMORKWJUDCFKD-LHLIQPBNSA-N 308.250 -0.194 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CO)CCCO)cn1 2146559964 FTLHESAVRAEYTK-MRVPVSSYSA-N 305.312 -0.599 5 10 DBBE CN(CC(CO)CO)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2150415728 OGFCXURQTQWZEP-UHFFFAOYSA-N 305.312 -0.789 5 10 DBBE CN(c1ncc([N+](=O)[O-])c(=N)[nH]1)[C@@H]1CS(=O)(=O)C1(C)C 2157641508 XMSLVCZDGKPJPI-SSDOTTSWSA-N 301.328 -0.191 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1Nc1[nH]c(=N)ccc1[N+](=O)[O-] 2207460658 QKLQXGFKTAZMBD-POYBYMJQSA-N 302.312 -0.374 5 10 DBBE CC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)[S@@]1=O 342265687 NWZRRNVOGGGVST-JYFUKTADSA-N 315.355 -0.056 5 10 DBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC(CO)C1 358069020 DHVLUIDRWQZMPU-UHFFFAOYSA-N 319.273 -0.359 5 10 DBBE C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCS1(=O)=O 548058620 QEVJJBQIGSQDDR-SSDOTTSWSA-N 314.323 -0.169 5 10 DBBE CO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593611557 BFEBBDPSYHYAAW-RKDXNWHRSA-N 303.296 -0.318 5 10 DBBE CN1CCC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594758585 DSZIZPWYSXVHPT-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE CN(CCOCCN)S(=O)(=O)c1cncc([N+](=O)[O-])c1 698520635 LFIQZGLGWOFOHE-UHFFFAOYSA-N 304.328 -0.414 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCOCC2)n1 755572373 CALGKLDVMNKFHD-UHFFFAOYSA-N 312.282 -0.173 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](CO)c1cnn(C)c1 1137943234 UNQVFXULLOYPCJ-SNVBAGLBSA-N 308.298 -0.317 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H](CO)[C@@H]1CCOC1 1295796318 AVVPBBSSMDISCM-NXEZZACHSA-N 311.294 -0.730 5 10 DBBE O=C(NC[C@]1(CO)COCCN1)c1ccc([N+](=O)[O-])cc1F 1302502867 BPVCMKQLRDBUGV-ZDUSSCGKSA-N 313.285 -0.185 5 10 DBBE CN1CCN(CCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 1540507897 CUGRTDDWYSJYEG-UHFFFAOYSA-N 316.749 -0.052 5 10 DBBE CN1C(=O)CC[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1=O 1627041268 NGPHFTWIWOCOFX-BYPYZUCNSA-N 315.673 -0.152 5 10 DBBE CNC(=O)[C@H]1CCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1630803061 CHAMSICBJNOWFN-VHSXEESVSA-N 322.321 -0.213 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCC[C@H]1C=NNC1=O 1642448408 HZRKBHZMSZTETO-VIFPVBQESA-N 321.293 -0.615 5 10 DBBE CCC1(CC)CNC(=O)[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 1652650048 QOCZKZDHQDVUGK-SECBINFHSA-N 310.314 -0.393 5 10 DBBE O=C1NC[C@@H]2CN(Cc3cccnc3[N+](=O)[O-])CCN2C1=O 1657728059 CTYDQGBJPCSRPO-SNVBAGLBSA-N 305.294 -0.868 5 10 DBBE Cc1nnc(CC(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 1737723866 NJBQKWDJYANKAX-RKDXNWHRSA-N 311.298 -0.840 5 10 DBBE NC(=O)C[C@H](NC(=O)C(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 1866062200 GGDOYQYBUMYHME-QMMMGPOBSA-N 323.261 -0.849 5 10 DBBE Nc1ccc(N2CCC[C@@H]2CS(N)(=O)=O)nc1[N+](=O)[O-] 2146427507 UXLJGBWRNHBOAS-SSDOTTSWSA-N 301.328 -0.171 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCONC2)ccc1O 2155323362 JVZGSGVNRQXRBZ-ZETCQYMHSA-N 303.296 -0.128 5 10 DBBE CCS(=O)(=O)NC1CN(Cc2nn(C)cc2[N+](=O)[O-])C1 2196045731 HVEYOICAOXLBSH-UHFFFAOYSA-N 303.344 -0.548 5 10 DBBE O=C(O)[C@H](NC(=O)N1CC([N+](=O)[O-])C1)[C@H](O)C(F)(F)F 2280030670 DBUDVJQPXITJMD-UHNVWZDZSA-N 301.177 -0.967 5 10 DBBE O=C(O)[C@H](O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 90263038 LVNOSUDIYCTBMX-MRVPVSSYSA-N 306.252 -0.976 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 157217111 FZZUTWOPXDBWTH-UHFFFAOYSA-N 306.275 -0.320 5 10 DBBE C[C@@H]([C@@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCOCC1 355141551 UPYRHAIMHWRGFJ-ZJUUUORDSA-N 312.330 -0.588 5 10 DBBE O=C1CC[C@@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])N1 594867472 CYYKJBYBGUMIHH-ZETCQYMHSA-N 300.296 -0.453 5 10 DBBE CS(C)(=O)=NCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1178450737 DJILUGQRRXGEKT-UHFFFAOYSA-N 316.339 -0.400 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCc1nnc(S)n1C1CC1 1338742236 JEHBIUKODBZQAJ-UHFFFAOYSA-N 324.326 -0.282 5 10 DBBE O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1C[C@@H](CO)[C@@H](CO)C1 1471319165 GQLYDBAFZUOGCF-AOOOYVTPSA-N 324.289 -0.004 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 1637806650 USHLDMZHCYHUBM-UHFFFAOYSA-N 303.271 -0.153 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@H](O)CO 1963063583 AKDAQNPOVROPDC-VIFPVBQESA-N 304.324 -0.075 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=N[C@H]1CS(=O)(=O)C[C@H]1O 2121469072 RXDCQOWSORYYQJ-UJURSFKZSA-N 308.703 -0.970 5 10 DBBE N[C@H]1COCCN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2152197319 SDEHGUAUDIFDAB-MRVPVSSYSA-N 302.312 -0.662 5 10 DBBE CCCNC(=O)Cn1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C 2156810729 POHRNTMEACIDJO-UHFFFAOYSA-N 305.316 -0.727 5 10 DBBE Cc1nc(NN)nc(N2CC[S@@](=O)C[C@H]2C)c1[N+](=O)[O-] 2171986228 WPBBJMBDBPIPNR-PXKKQCTMSA-N 300.344 -0.064 5 10 DBBE COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 339000480 ADQKMPIKJHFRIQ-JTQLQIEISA-N 317.323 -0.284 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)n1 599515248 BNHLWDAPPZHDQV-FXBDTBDDSA-N 316.339 -0.138 5 10 DBBE COCCOCCN(CCO)C(=O)c1cc([N+](=O)[O-])n[nH]1 600237945 DLVYOEABZUSYSI-UHFFFAOYSA-N 302.287 -0.585 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](O)[C@H](C)O 717403433 WNMPCMVYHWBUNJ-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE Cn1nccc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 940451594 QBGWSAIQRAYGQQ-ZYHUDNBSSA-N 321.337 -0.240 5 10 DBBE Cc1conc1CN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1282511040 LLVBLPSDEQCRGS-ZYHUDNBSSA-N 324.337 -0.299 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1cccn1 1296065258 RCDNEDOSNOCYPO-GHMZBOCLSA-N 309.326 -0.487 5 10 DBBE CCn1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 1358653431 CHIHEPMYKBQCKR-GHMZBOCLSA-N 321.337 -0.053 5 10 DBBE CCN(C)CCC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496013060 NNOLWKBWDREKIH-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE Cn1cc(O)c(=O)cc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 1557253149 GIBKKKKKFBQKJD-UHFFFAOYSA-N 307.266 -0.488 5 10 DBBE COC(=O)[C@]1(O)CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 1643516992 ZEUDUTZLUVXTDP-RISCZKNCSA-N 324.289 -0.235 5 10 DBBE O=C(NC1(CCO)CN(C/C=C\Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1675076416 MNOHUUYMQDQCAD-ATMFLTRRSA-N 303.746 -0.043 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC2(CO)CNC2)ccc1Cl 1918430288 WCXYIXOAGNCOBH-UHFFFAOYSA-N 321.742 -0.139 5 10 DBBE NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2145611401 AXCLLIVWEFIGEY-QMMMGPOBSA-N 303.271 -0.018 5 10 DBBE Cc1cc(S(=O)(=O)NC[C@H](N)CO)cc([N+](=O)[O-])c1F 2162378563 YHCMHQDVBXXYQQ-ZETCQYMHSA-N 307.303 -0.360 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)[C@H](N)CO1 2165824887 JGFMTRNOOKEGOC-XCBNKYQSSA-N 302.312 -0.316 5 10 DBBE Cc1nc(Cl)nc(OC2(CN)CS(=O)(=O)C2)c1[N+](=O)[O-] 2283073525 FDQKEERJPNQKQD-UHFFFAOYSA-N 322.730 -0.149 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(N)=O 45744637 XDRDCNIRDBBHLE-UHFFFAOYSA-N 303.296 -0.291 5 10 DBBE Nc1cc(S(=O)(=O)NCC(=O)NC2CC2)ccc1[N+](=O)[O-] 131965585 JSELAHVYSGUMLY-UHFFFAOYSA-N 314.323 -0.266 5 10 DBBE CNS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(N)c1 231026722 KSBHYQJLTBABLG-UHFFFAOYSA-N 302.312 -0.544 5 10 DBBE C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593587735 XWNUILONTRBLMC-GZMMTYOYSA-N 317.323 -0.192 5 10 DBBE COC[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])OC 594773591 SSTGWDWLLGPKPY-MRVPVSSYSA-N 305.312 -0.071 5 10 DBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ncc([N+](=O)[O-])cn3)C[C@@H]12 596501314 NALWSRMRWUAUNP-AEJSXWLSSA-N 314.323 -0.367 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC[C@H]2N)n1 599100722 MOITYQAFJLAIHO-HTQZYQBOSA-N 303.344 -0.124 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNC[C@H]2O)c(F)c1 699961003 DGPYUAUYFXTMIK-DTWKUNHWSA-N 305.287 -0.655 5 10 DBBE CCNc1ncnc(N(C)CCS(N)(=O)=O)c1[N+](=O)[O-] 719701040 BHIOGHLIXZDBHB-UHFFFAOYSA-N 304.332 -0.459 5 10 DBBE Cn1nncc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 940916927 ANCDYDOUFNAGEA-NXEZZACHSA-N 322.325 -0.845 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@]2(CCCOC2)C1 1117157542 QGDATJRVCLOSRN-GFCCVEGCSA-N 311.298 -0.406 5 10 DBBE NC(=O)C[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1445364726 CASAPVHHIGAJJA-JTQLQIEISA-N 322.321 -0.130 5 10 DBBE O=C(CN1C[C@@H](O)[C@H](CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 1646102475 ZHZJQYPTHCKYPJ-SMDDNHRTSA-N 321.333 -0.231 5 10 DBBE Cc1n[nH]cc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1747214577 JCPPIQCAXZHODK-ONKIFHLLSA-N 307.310 -0.214 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC([N+](=O)[O-])C1 2191503357 QRRPLJPGUZOYPK-UHFFFAOYSA-N 302.268 -0.173 5 10 DBBE N[C@H]1CCOCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2285278945 DIDUGKSMIPZNEQ-SECBINFHSA-N 302.312 -0.314 5 10 DBBE N[C@H]1CCOCCN1S(=O)(=O)c1cncc([N+](=O)[O-])c1 2285283819 OYARSNDDAFLAEU-SNVBAGLBSA-N 302.312 -0.314 5 10 DBBE O=[N+]([O-])c1ccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 101179060 IXFOBQXJWRLXMD-JCIQBVFBSA-N 317.319 -0.513 5 10 DBBE O=C(CNC(=O)c1ccccn1)NCCn1cc([N+](=O)[O-])cn1 178200911 SAKKXCGIBHMOJK-UHFFFAOYSA-N 318.293 -0.268 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[C@@H](O)C2)n1 599287376 CSMACSFNQAIZEJ-HTQZYQBOSA-N 304.328 -0.232 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1n1cc([N+](=O)[O-])c(C(=O)O)n1 696825882 ZHRCLPJJLSMRJD-RNFRBKRXSA-N 305.268 -0.526 5 10 DBBE CNS(=O)(=O)CCCOC(=O)c1nn(C)cc1[N+](=O)[O-] 777131567 HDBRILJMWBFUQB-UHFFFAOYSA-N 306.300 -0.576 5 10 DBBE C[C@@]1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCOC1=O 849394342 RSKSTRYRPBXNCA-SNVBAGLBSA-N 301.280 -0.026 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCN(CC(N)=O)CC2)n1 1144558435 TXEBJRLYQBAOGA-UHFFFAOYSA-N 321.337 -0.069 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](Cc2nn[nH]n2)C1 1177867074 WGKBTRYCSKRQLR-VIFPVBQESA-N 320.313 -0.214 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCn2c(O)nnc2C1 1296786995 VEDSQANEMCHYAS-UHFFFAOYSA-N 320.265 -0.904 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCCN(CC(N)=O)C1 1628386766 YMOMYMSKVHVJLM-JTQLQIEISA-N 324.341 -0.834 5 10 DBBE CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 1651090267 NFVVKZGSPOXAIZ-MNOVXSKESA-N 321.337 -0.002 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=N[C@H](C)CCS(C)(=O)=O)[nH]1 2160756006 COSZYGSOOHBALJ-SSDOTTSWSA-N 303.344 -0.495 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1N=c1ccc([N+](=O)[O-])c(N)[nH]1 2207471965 SLNNUHIJAVMWTG-XPUUQOCRSA-N 302.312 -0.782 5 10 DBBE COc1nccc(C2(C(=O)O)CS(=O)(=O)C2)c1[N+](=O)[O-] 2288666682 WWDAACVNAXZUFT-UHFFFAOYSA-N 302.264 -0.251 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1C[C@H](O)[C@H](O)[C@H](CO)C1 2289482396 CLUNJDUCNNGZCP-JMOVZRAMSA-N 304.324 -0.701 5 10 DBBE O=c1[nH]cc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])c(=O)[nH]1 36716302 TYTJFRNIGMXURA-UHFFFAOYSA-N 312.263 -0.228 5 10 DBBE COc1ccc(S(=O)(=O)CCS(N)(=O)=O)c([N+](=O)[O-])c1 70214135 DMLIWDUVBCLTDU-UHFFFAOYSA-N 324.336 -0.334 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccnc(Cl)c1[N+](=O)[O-] 88804653 BMMZGUHRPYSIQF-VDTYLAMSSA-N 314.685 -0.296 5 10 DBBE C[C@H](O)c1cc([N+](=O)[O-])c(N(CC(N)=O)CC(N)=O)s1 167508925 YVINLKAQKKQAJU-YFKPBYRVSA-N 302.312 -0.513 5 10 DBBE N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 250090213 OZFHJXABMDXBEN-CDEVMZEPSA-N 314.323 -0.617 5 10 DBBE O=[N+]([O-])c1cnc2ccc(N3CCN4C[C@H](O)C[C@H]4C3)nn12 594603003 GUVNGMTVVNLRHF-VHSXEESVSA-N 304.310 -0.107 5 10 DBBE CN[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599107601 MIKUPROKANUVIZ-MRVPVSSYSA-N 303.344 -0.299 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2(CO)CC2)n1 599320068 APHOAQMZZYZZTA-UHFFFAOYSA-N 304.328 -0.231 5 10 DBBE O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1C[C@H](O)[C@@H](O)C1 600216961 JSSDNRUVANPXGQ-QWRGUYRKSA-N 302.233 -0.021 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1nc(N)ncc1[N+](=O)[O-] 696994178 GYHAHSIBZFSXAF-VDTYLAMSSA-N 303.300 -0.809 5 10 DBBE CNS(=O)(=O)c1ccc(N2CC(CN)C2)c([N+](=O)[O-])c1 712579041 TWTAHZIHFINNGJ-UHFFFAOYSA-N 300.340 -0.102 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3NCCO[C@H]3C2)cc1 725374382 KJQKVBYUNYMSHT-RYUDHWBXSA-N 313.335 -0.044 5 10 DBBE CCOC(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 858915559 XHRKFKFCAUYOGZ-LURJTMIESA-N 306.300 -0.442 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCC2(S(C)(=O)=O)CC2)n1 1128587070 QOMXPIHJKDJFIB-UHFFFAOYSA-N 302.312 -0.365 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CC[C@H](O)[C@H](CO)C1 1261580746 YSDVYQIHMQPGAB-WPRPVWTQSA-N 317.323 -0.646 5 10 DBBE CN(CCCNC(=O)c1cc[n+]([O-])cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1283485312 CWMQUHCQTHSRLO-VXGBXAGGSA-N 322.321 -0.437 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(S(N)(=O)=O)C1 1299239698 NKBZDCJBLJKMBZ-UHFFFAOYSA-N 300.296 -0.589 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C2CN(C)C2)CC1 1350561500 XPEPRLXDGYGSNU-UHFFFAOYSA-N 322.369 -0.442 5 10 DBBE COC(=O)[C@@](C)(CO)NC(=O)CCn1cc([N+](=O)[O-])nc1C 1570231029 JEPZIUFOBXGNPS-GFCCVEGCSA-N 314.298 -0.470 5 10 DBBE NC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C(N)=O 1620418166 NIIBNKAPBQBXBI-AOOOYVTPSA-N 310.285 -0.248 5 10 DBBE CC(C)NC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1688902561 CQDDKAKPEODBQW-WRWGMCAJSA-N 312.370 -0.339 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@@H]2CNC[C@@H]2S(C)(=O)=O)[nH]1 2239243752 FXLUNWVCJOOTRR-APPZFPTMSA-N 303.344 -0.970 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC(=O)NC1 111024912 BGNJBCBSNSIBQW-ZETCQYMHSA-N 314.323 -0.266 5 10 DBBE CN1CCN(S(=O)(=O)c2cccc(N)c2[N+](=O)[O-])CC1=O 127026683 LOSYLANWGBWQRT-UHFFFAOYSA-N 314.323 -0.360 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CNC(=O)C1 229364168 VDBYRVKJZJQLPE-LURJTMIESA-N 300.296 -0.656 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)ccc1F 323487464 LPGPVQSYCNSMFY-SCZZXKLOSA-N 306.271 -0.228 5 10 DBBE NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593525310 PPAOCYDLKRZJBK-QMMMGPOBSA-N 314.323 -0.124 5 10 DBBE C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594769885 BCHJEJXICAZDDB-QMMMGPOBSA-N 314.323 -0.159 5 10 DBBE COCCN(C)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594769940 CSWNOJMMALFNIO-UHFFFAOYSA-N 318.355 -0.154 5 10 DBBE CC(=O)N1CCN(C2CN(Cc3c([N+](=O)[O-])ncn3C)C2)CC1 941252934 OJPPWOIYCQGGSF-UHFFFAOYSA-N 322.369 -0.323 5 10 DBBE CN(C)C[C@@]1(O)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1455054625 HDRXBUUPCSVZDR-AWEZNQCLSA-N 324.337 -0.719 5 10 DBBE C[C@@]12CN(CCn3cc([N+](=O)[O-])cn3)C[C@]1(C)C(=O)NC2=O 1460599416 BUFMEEBQNLZOLJ-BETUJISGSA-N 307.310 -0.224 5 10 DBBE O=C1NCCO[C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)[C@@H]12 1460672179 QWQMLNUTFCOTGN-VXGBXAGGSA-N 309.326 -0.229 5 10 DBBE O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccon1 1487022180 KAZGAGQXTMCKHQ-PSASIEDQSA-N 324.293 -0.967 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)Cn1c([N+](=O)[O-])cnc1C 1585781521 NKIVXVXBOZCJRQ-GZMMTYOYSA-N 312.282 -0.454 5 10 DBBE C[C@H]1CC(=O)NCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1586060027 ZYFJNQFWPPMBEX-VIFPVBQESA-N 308.294 -0.507 5 10 DBBE COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(=O)NCC12COC2 1625475761 SLVNLBWGVAWTIS-UHFFFAOYSA-N 321.289 -0.056 5 10 DBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CNC(=O)C1 1626526565 IEEZDRNVVGPUOH-SECBINFHSA-N 320.305 -0.423 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CO)Cc1cnn(C)c1 1630356620 MIEWZHYFHBNYSJ-LLVKDONJSA-N 322.325 -0.447 5 10 DBBE CC(C)(CCC(=O)NC1CCN(S(N)(=O)=O)CC1)[N+](=O)[O-] 1641545911 APZAZSNNKJGDCJ-UHFFFAOYSA-N 322.387 -0.394 5 10 DBBE CNC(=O)CNCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 1717523039 BUWSPQLTQKVLNM-GHMZBOCLSA-N 312.370 -0.194 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)Cc1ccc([N+](=O)[O-])cc1 2152955922 ZKJJJZYJPGVGKE-QMMMGPOBSA-N 301.324 -0.070 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@]1(CO)CCNC1 2190274527 XQAWXJAHSSFKEX-LLVKDONJSA-N 301.324 -0.403 5 10 DBBE CNc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)c([N+](=O)[O-])c1 50656726 WQWWRGLIKSCOED-LURJTMIESA-N 302.312 -0.211 5 10 DBBE CNc1cccc(S(=O)(=O)Nc2nnn(C)n2)c1[N+](=O)[O-] 127047864 BLRONOOZGOEPLA-UHFFFAOYSA-N 313.299 -0.039 5 10 DBBE COc1cccc([N+](=O)[O-])c1N1CCN2C(=O)C(=O)NC[C@@H]2C1 571683837 QJGPHQVWRYHUMK-SECBINFHSA-N 320.305 -0.250 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](O)C(F)(F)C2)c1 595660265 CNRDVSLBVSIMLQ-ZJUUUORDSA-N 306.269 -0.146 5 10 DBBE C[C@H]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CS1(=O)=O 598191132 HRTKQICNUXAHST-DTWKUNHWSA-N 316.339 -0.127 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@](C)(O)C2CC2)n1 599240486 KCWDOJLFXMWENR-SNVBAGLBSA-N 304.328 -0.232 5 10 DBBE CC[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1O 599269479 TWEJVWRXOVCIFK-APPZFPTMSA-N 304.328 -0.280 5 10 DBBE C[C@H]1CCNC(=O)[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599299009 DBKJUOLBIKKHID-POYBYMJQSA-N 317.327 -0.869 5 10 DBBE CC(C)(C(=O)N1CC[C@@H](O)[C@@H](CO)C1)n1cc([N+](=O)[O-])cn1 1142379580 UXERVKCDHRWJAH-MWLCHTKSSA-N 312.326 -0.272 5 10 DBBE C[C@H](CCS(C)(=O)=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1319896254 PHTMXTXTLKKRRL-SSDOTTSWSA-N 304.328 -0.119 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](CO)Cc1ccncc1 1321207378 MMCWMLNCQONRSH-JTQLQIEISA-N 306.282 -0.699 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@H]2CC23CC3)n1 1329983969 ISUGEZLKKXSSSV-ZCFIWIBFSA-N 300.296 -0.067 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)C[C@@H]2C1=O 1557967389 PSUKOXKTZVLDMQ-DTORHVGOSA-N 319.277 -0.741 5 10 DBBE Cn1nccc1C1(O)CN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 1558082151 BNTAHMDSLGFIRT-UHFFFAOYSA-N 306.282 -0.595 5 10 DBBE Nc1ncc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] 1568344831 VZEPRYASDAHZTI-CYBMUJFWSA-N 305.294 -0.076 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO 1633491961 WUWWHCJGXRAVDX-GXSJLCMTSA-N 321.337 -0.147 5 10 DBBE C[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H](C)N1CCO 1642697729 WDOKQMRDTYWFET-AOOOYVTPSA-N 323.353 -0.020 5 10 DBBE COC(=O)[C@]1(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](O)C1 1644331917 OUEAWENSZJDVPH-COPLHBTASA-N 324.289 -0.189 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(O)nn1 1703577667 BWCQTWUNMWZAPE-PSASIEDQSA-N 323.309 -0.574 5 10 DBBE COc1cccc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1704202660 IRQLXNRVMMPTSC-MWLCHTKSSA-N 322.321 -0.056 5 10 DBBE CS(=O)(=O)C1CN(c2cc(C(=O)O)c([N+](=O)[O-])cn2)C1 2152283546 CYFLQBJMBLJPEK-UHFFFAOYSA-N 301.280 -0.079 5 10 DBBE CN(C)[S@](C)(=O)=NC(=O)c1cc([N+](=O)[O-])ncc1NN 2167468363 RWWIISAYGLMQHF-HXUWFJFHSA-N 302.316 -0.010 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N=[S@@](C)(=O)CC2CNC2)n1 2186531760 IFMIQERLAZWROI-FQEVSTJZSA-N 301.328 -0.214 5 10 DBBE N[C@]1(C(=O)Nc2ccc([N+](=O)[O-])cn2)CCS(=O)(=O)C1 2202443702 BFFILJQKXOVSAW-SNVBAGLBSA-N 300.296 -0.556 5 10 DBBE CS(=O)(=O)[C@@H]1CCC[C@@H]1N=c1[nH]c(=N)[nH]cc1[N+](=O)[O-] 2206001505 QCFMWTGTWXDKRW-POYBYMJQSA-N 301.328 -0.403 5 10 DBBE Cc1[nH]c(=NC[C@H]2NC[C@@H](O)[C@H]2O)c(Cl)cc1[N+](=O)[O-] 2358559994 DBUPECYHBNARRY-QNSHHTMESA-N 302.718 -0.521 5 10 DBBE CS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 44329373 ICQPKYCCQNEPCV-UHFFFAOYSA-N 323.352 -0.578 5 10 DBBE CN(C)C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 174786022 IOACDQJSZUVNLM-STQMWFEESA-N 313.358 -0.585 5 10 DBBE COc1cccc(C(=O)N2CC[C@@](O)(C(N)=O)C2)c1[N+](=O)[O-] 355028331 GHVFZQHQXGBRGG-ZDUSSCGKSA-N 309.278 -0.334 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CCOC[C@@H](O)C2)c1 400314748 CGNCDOYRLZXLGU-VIFPVBQESA-N 303.296 -0.628 5 10 DBBE CN1CC[C@H]2OCCN(C(=O)c3c([N+](=O)[O-])cnn3C)[C@H]2C1 408040117 CZSSZWDQWZJGDK-WDEREUQCSA-N 309.326 -0.127 5 10 DBBE CN(C)C(=O)CCN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 554888537 SQNPUJDMCMNPND-UHFFFAOYSA-N 324.341 -0.446 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)[C@@H](C)O 717400346 CMXZRRUSFJXPAV-SCZZXKLOSA-N 304.324 -0.077 5 10 DBBE O=C(NN1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cn1 862735114 WJDGADVISGSRDO-UHFFFAOYSA-N 300.296 -0.635 5 10 DBBE COC(=O)[C@@H](CC1OCCO1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 1152686323 RBPPUOLGVAGMCH-SECBINFHSA-N 313.266 -0.043 5 10 DBBE CN(CCO)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 1187593958 QSUFEQURNNWOQT-UHFFFAOYSA-N 318.355 -0.422 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CN2CCC[C@@H]2CO1 1318164673 LWTDLCNMOQGDOQ-NXEZZACHSA-N 310.314 -0.834 5 10 DBBE O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1n[nH]cc1[N+](=O)[O-] 1329544449 GOQVHKKEKIOLHF-SECBINFHSA-N 323.309 -0.172 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(N2CC[C@@H](O)C2)CC1 1331280265 RAHUDFXVVGUXBT-CYBMUJFWSA-N 323.353 -0.151 5 10 DBBE C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334932749 DVYZIDUIFGEBTD-YUMQZZPRSA-N 303.344 -0.171 5 10 DBBE CN1CC(N2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)C1 1347773547 XJLQNURQLCVXPE-UHFFFAOYSA-N 308.342 -0.600 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NCCS(=O)(=O)N(C)C)n1 1436598576 LYKZAZLVAKPADE-UHFFFAOYSA-N 316.339 -0.081 5 10 DBBE CN(C)CC1(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1536493940 AHGWCYVVJURLKB-VXGBXAGGSA-N 324.381 -0.337 5 10 DBBE O=C(NC[C@@H](O)CO)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 1558673311 YMTPEIYMSXSSTH-SNVBAGLBSA-N 306.278 -0.137 5 10 DBBE CC1=NNC(=O)[C@@H]1CCNC(=O)Cn1cc([N+](=O)[O-])nc1C 1565612015 ZFJIOBOZYHMRCG-SECBINFHSA-N 308.298 -0.272 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@H](Cn2ccnn2)C1 1629876185 ZEOVFITZPRMSLN-MRVPVSSYSA-N 307.270 -0.549 5 10 DBBE Cn1cc(CN2CCN3CCOC[C@]3(CO)C2)c([N+](=O)[O-])n1 1654914841 CPYNOVZVZAAJKN-CYBMUJFWSA-N 311.342 -0.793 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1c[nH]c(=O)cn1 1721143281 CIDRTTZLBJFGRT-PSASIEDQSA-N 323.309 -0.987 5 10 DBBE Cc1nocc1CN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1725197678 MEHIONOQRPMYON-VXGBXAGGSA-N 324.337 -0.299 5 10 DBBE CN(C)C(=O)[C@]1(F)CCN(C(=O)c2cnc([N+](=O)[O-])n2C)C1 1849013710 TYZFTRLSKNICLW-LBPRGKRZSA-N 313.289 -0.029 5 10 DBBE N[C@H]1CS(=O)(=O)C[C@@H]1Oc1ncnc(Cl)c1[N+](=O)[O-] 2128225615 ODZFSMRVAWLQLG-WHFBIAKZSA-N 308.703 -0.459 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1 2149266770 RIGVKCUDBBDLHM-VXNVDRBHSA-N 305.287 -0.120 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)CN 2182584910 PMKSQXVLFHYLSA-ZETCQYMHSA-N 307.303 -0.360 5 10 DBBE COc1ccc(S(=O)(=O)N[C@H](CN)CO)c([N+](=O)[O-])c1 2182586480 UDBIDVAZOUTXTP-SSDOTTSWSA-N 305.312 -0.799 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 157479195 HAKCYMHIDVNEPZ-BYPYZUCNSA-N 323.356 -0.645 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)nc1 593635774 PSRATMQEYYNKEE-LLVKDONJSA-N 317.323 -0.190 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)n1 599224318 YKSQMXAVKDRWBB-MRVPVSSYSA-N 315.355 -0.157 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCNC1=O 693962181 ZPOXPNYXZNJYOB-MRVPVSSYSA-N 300.296 -0.656 5 10 DBBE CO[C@H](C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C 861326956 RBWCCGYXGGDTAS-QMMMGPOBSA-N 320.327 -0.196 5 10 DBBE Cn1cnnc1CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1556735009 WQMYNRASZNOESH-UHFFFAOYSA-N 320.309 -0.366 5 10 DBBE C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)CN1CCO 1643089432 HPVGHZGBZDDSIV-VHSXEESVSA-N 312.330 -0.900 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CC2(C[C@@H](O)CNC2=O)C1 1645226235 CCLORBKJBOZNPH-SSDOTTSWSA-N 311.319 -0.021 5 10 DBBE CCCC(=O)NCC1(O)CN(Cc2c([N+](=O)[O-])ncn2C)C1 1699909681 WTYRKARZNLLFPD-UHFFFAOYSA-N 311.342 -0.209 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1ccon1 1745308736 YEPNIVOKCOERKH-GHMZBOCLSA-N 310.310 -0.153 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)c1 1889917766 OODMTLKHQUSSAT-NXEZZACHSA-N 319.273 -0.052 5 10 DBBE NNc1sc(S(=O)(=O)N2CC[C@H]2CO)cc1[N+](=O)[O-] 2092548484 OGTRMNDCROYNDQ-YFKPBYRVSA-N 308.341 -0.303 5 10 DBBE NC(=O)[C@@H]1C[C@H](N)CN(c2nc(Cl)ncc2[N+](=O)[O-])C1 2162788563 ZBRVMUZRLATLSZ-RITPCOANSA-N 300.706 -0.323 5 10 DBBE Cc1nc(NN)nc(N2CC(C[S@](C)=O)C2)c1[N+](=O)[O-] 2166654375 UWGGRBSLOXPWLP-FQEVSTJZSA-N 300.344 -0.206 5 10 DBBE Cc1c([N+](=O)[O-])c(=NC[C@@H]2[C@@H]3CS(=O)(=O)C[C@@H]32)[nH]n1C 2207485310 IYLKBZVJJYGAQQ-AYMMMOKOSA-N 300.340 -0.239 5 10 DBBE CS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1NN 51088029 NJMDOXKCFPOOMA-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE Cc1ccc(S(=O)(=O)CCS(N)(=O)=O)cc1[N+](=O)[O-] 70214101 GXRVUVBHWHLRRY-UHFFFAOYSA-N 308.337 -0.035 5 10 DBBE Cc1cc(S(=O)(=O)NC[C@@H](O)CO)cc([N+](=O)[O-])c1F 164573262 ISKLRCRTCNZPON-SSDOTTSWSA-N 308.287 -0.326 5 10 DBBE CC(C)(C(=O)N1CC[C@H](NC(N)=O)C1)n1cc([N+](=O)[O-])cn1 342874769 AOIHOYBBIQXGEY-QMMMGPOBSA-N 310.314 -0.204 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1CO 698139049 NPLBPRZKCPYVAW-BDAKNGLRSA-N 302.308 -0.289 5 10 DBBE C[C@H](O)[C@H](O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 717402083 ORWMQSIRMDPBBJ-GZMMTYOYSA-N 304.324 -0.244 5 10 DBBE NC(=O)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 761852786 KLOSBOFOKFENAD-UHFFFAOYSA-N 307.310 -0.331 5 10 DBBE CCNS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])cn1 762209120 JRRGTHQEVKXSRS-UHFFFAOYSA-N 302.312 -0.341 5 10 DBBE COC1([C@@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)CCOCC1 1130015987 NCTGQERVVNZIII-SECBINFHSA-N 313.314 -0.113 5 10 DBBE C[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CCN1CCO 1138607063 IRQPIPPBUHRMCZ-VIFPVBQESA-N 309.326 -0.289 5 10 DBBE COC(=O)c1cc(C)nc(N2C[C@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] 1145089512 XPNRWWXLXJNTAY-SCZZXKLOSA-N 311.294 -0.126 5 10 DBBE CC(=O)CCCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1284964366 DMXBFWSDCVWIQM-VXGBXAGGSA-N 311.338 -0.015 5 10 DBBE Cc1cc(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 1293974211 ABFYPVOGWZYAGM-MWLCHTKSSA-N 309.326 -0.038 5 10 DBBE Cc1c[nH]c(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1298398384 YZJZTAPNPDJYTN-HLKOZVMDSA-N 307.310 -0.214 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)n1 1346088998 JCGIAKTZPIGVOF-SFYZADRCSA-N 309.282 -0.101 5 10 DBBE CCn1nncc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357793672 OWYPFPFXDZOHQT-HIHHVFROSA-N 322.325 -0.635 5 10 DBBE O=C(CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CC1 1566838104 DPTQFUIRBCZCBS-WRWGMCAJSA-N 310.354 -0.585 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC[C@H](O)[C@H](O)CC1 1645871979 BCNBJFXELCSHAU-RTCCRHLQSA-N 312.326 -0.120 5 10 DBBE CCN(CC)C(=O)CN(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1663180776 QKGRHSWDWFAJSU-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE NNc1ncc(S(=O)(=O)N2CC([N+](=O)[O-])C2)cc1Cl 1876166281 ZFJXCQCWXVJEKE-UHFFFAOYSA-N 307.719 -0.330 5 10 DBBE CCn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CS(N)(=O)=O 2152951589 DEVKNMHXTHACGQ-ZETCQYMHSA-N 304.328 -0.177 5 10 DBBE C[C@H](CS(N)(=O)=O)NC(=O)c1cc(N)ccc1[N+](=O)[O-] 2152952053 FNTLLWGIIWKSAK-ZCFIWIBFSA-N 302.312 -0.416 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1N 2179201760 KHKBXJFKVDJPED-MNOVXSKESA-N 301.324 -0.059 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)c1nnn[nH]1 44934709 SDVBDMLCTTYRNG-RXMQYKEDSA-N 313.299 -0.270 5 10 DBBE CS(=O)(=O)N1CCN(CC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 62085482 FSRRHEADINETCF-UHFFFAOYSA-N 316.339 -0.317 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)ccc1Cl 93091932 JRNOVICWMDZTFX-AOOOYVTPSA-N 322.726 -0.026 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnns1 127643944 LZYJMDZGHHRIAT-UHFFFAOYSA-N 317.312 -0.072 5 10 DBBE NNc1cc(S(=O)(=O)N2CCOCC2)ccc1[N+](=O)[O-] 131285327 HTVSJZUQYJPFIM-UHFFFAOYSA-N 302.312 -0.099 5 10 DBBE NC(=O)CN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 301863738 GBJNCOUJCFWBQV-UHFFFAOYSA-N 305.298 -0.755 5 10 DBBE COCc1nc(C(=O)NCCn2cc([N+](=O)[O-])cn2)n(C)n1 596430272 INUNIZIETGCMIA-UHFFFAOYSA-N 309.286 -0.504 5 10 DBBE C[C@H](CNC(=O)c1cc(N)ncc1[N+](=O)[O-])S(C)(=O)=O 697589378 QYDSOKWPFAXMLD-ZCFIWIBFSA-N 302.312 -0.265 5 10 DBBE CN(CC(=O)N1CCNCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 825610521 HBLWOSDNVJLLOU-UHFFFAOYSA-N 321.337 -0.319 5 10 DBBE O=C(c1cnccn1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 940090713 DVHKAVADBMXKPW-ZYHUDNBSSA-N 319.321 -0.184 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC(=O)CCN1CCCS1(=O)=O 1436245308 ATMDVAZDCYFJBM-UHFFFAOYSA-N 317.327 -0.308 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)Cn1cncn1 1567603236 SAHOJMYHXIERSL-UHFFFAOYSA-N 322.329 -0.832 5 10 DBBE CNC(=O)N[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1611254065 UZCYWOCKQIJLOG-SECBINFHSA-N 323.309 -0.714 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 1632871736 KSNIURGGXDJNBO-GXSJLCMTSA-N 323.309 -0.552 5 10 DBBE O=C1NCCO[C@@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)[C@@H]12 1636384550 NJLOGCVRSOTKJA-BXKDBHETSA-N 323.309 -0.703 5 10 DBBE Cc1cc(O)nc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1638200352 VNUOAJKYNHSPBN-IVZWLZJFSA-N 307.310 -0.149 5 10 DBBE Cc1ncn(C)c1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1742859487 TYNQDLMBVYCCTN-NXEZZACHSA-N 309.326 -0.370 5 10 DBBE C[C@@H](O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2174119249 OQQFZQZSRHGIFT-MUWHJKNJSA-N 308.287 -0.246 5 10 DBBE COc1ccc(S(=O)(=O)NOC2CNC2)cc1[N+](=O)[O-] 2179470075 XOLCOIZMYUKBLH-UHFFFAOYSA-N 303.296 -0.215 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1cccc(N)c1[N+](=O)[O-] 2192655205 FCVAHORXJWZWBL-UWVGGRQHSA-N 300.340 -0.026 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 2192677843 PHUTUDDFFNNUEN-POYBYMJQSA-N 303.296 -0.697 5 10 DBBE Cc1c([N+](=O)[O-])c(=NC[C@H]2CCS(=O)(=O)N2C)[nH]n1C 2207477009 SOIJSTGTKCZDQO-MRVPVSSYSA-N 303.344 -0.496 5 10 DBBE Cc1c([N+](=O)[O-])c(=N[C@@H]2CCN(S(C)(=O)=O)C2)[nH]n1C 2207485014 FLTZQMOHVULVJH-MRVPVSSYSA-N 303.344 -0.496 5 10 DBBE Cc1ncc([N+](=O)[O-])c(N[C@H]2CNC[C@H]2S(C)(=O)=O)n1 2286625132 XFTMQJWFVXSZFV-IONNQARKSA-N 301.328 -0.510 5 10 DBBE N[C@H](CS(=O)(=O)Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)O 2288539078 DVUJYTHXVGNOMB-ZCFIWIBFSA-N 324.702 -0.203 5 10 DBBE COC[C@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])s1 2358553138 OVAGMWUXZRXLBN-MHYGZLNHSA-N 302.308 -0.151 5 10 DBBE C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1)c1nn[nH]n1 125501371 VOJRDTARRNGCBD-VKHMYHEASA-N 319.328 -0.209 5 10 DBBE Cc1nc(NN)nc(N2CCC[S@@](=O)CC2)c1[N+](=O)[O-] 322090888 TVCVUEIYDJRWOU-HXUWFJFHSA-N 300.344 -0.062 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2COC[C@H]2O)ccc1O 323525075 VGWULVNYAKHLLT-OIBJUYFYSA-N 304.280 -0.662 5 10 DBBE Cn1c(C(=O)N[C@H](CO)CN2CCOCC2)ccc1[N+](=O)[O-] 330605982 ZQHLIIBWZLTFEC-JTQLQIEISA-N 312.326 -0.644 5 10 DBBE COC(=O)C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 598264837 GXEUXRSMZPFCIN-SECBINFHSA-N 311.298 -0.108 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2(C)CCC(=O)N2)n1 599324585 ULBZOJSNFAPZSF-JTQLQIEISA-N 317.327 -0.725 5 10 DBBE O=C(c1cccc(O)c1[N+](=O)[O-])N(CCO)CCOCCO 600117896 XEIOMRVMTBTGAQ-UHFFFAOYSA-N 314.294 -0.256 5 10 DBBE CS(=O)(=O)NC1CC(NC(=O)c2ccc([N+](=O)[O-])cn2)C1 619778803 VHVAZPQRMYRGRR-UHFFFAOYSA-N 314.323 -0.200 5 10 DBBE C[C@@H](CS(C)(=O)=O)N(C)c1nc(NN)ncc1[N+](=O)[O-] 688533103 JKOASXCRDMPMDV-LURJTMIESA-N 304.332 -0.460 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O)C(=O)O 691679543 JUZPFLWMBCCVDP-LURJTMIESA-N 305.268 -0.546 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1Cc1nccn1C 707933004 GFWOQOHSGQILMF-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE CN(CCCNc1nc(N)ncc1[N+](=O)[O-])S(C)(=O)=O 709538589 PIXVVHGMHOPMPZ-UHFFFAOYSA-N 304.332 -0.340 5 10 DBBE C[C@@H](CS(=O)(=O)N(C)C)OC(=O)Cn1cc([N+](=O)[O-])cn1 861154932 HUOHKCUFIIKSCC-QMMMGPOBSA-N 320.327 -0.386 5 10 DBBE COC(=O)[C@@H](O)C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 1137698887 NCNVJBHZMSZDAY-VIFPVBQESA-N 312.282 -0.296 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCN2C(=O)NC[C@@H]2C1 1148787140 HUVDTJXFDNDUKF-RXMQYKEDSA-N 314.689 -0.179 5 10 DBBE CCN(CCCNC(=O)C(N)=O)Cc1c([N+](=O)[O-])ncn1C 1316901627 PUDIURRBXCNSDA-UHFFFAOYSA-N 312.330 -0.858 5 10 DBBE CN(C)C(=O)NCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1632581037 SCTPMJRSLDDSQY-UHFFFAOYSA-N 311.298 -0.856 5 10 DBBE Cn1cncc1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1633917325 BXIBQHNZIYUDCE-UHFFFAOYSA-N 305.294 -0.151 5 10 DBBE Cc1nocc1CNCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1700027758 NSOLXPURVPAWSS-VXGBXAGGSA-N 312.326 -0.441 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnns1 1737132514 LSAZBZXKZYJXDN-HTQZYQBOSA-N 313.339 -0.218 5 10 DBBE COc1ccc(C(=O)N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 1889917691 DSEFUDRSWNVRBO-UWVGGRQHSA-N 319.273 -0.052 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(N(C)CCS(=O)(=O)NC)[nH]1 2151039604 VZPPSMWGKONWEF-UHFFFAOYSA-N 303.344 -0.561 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(=O)O 2176839289 CIWWVBSCGZILCO-MUWHJKNJSA-N 304.280 -0.293 5 10 DBBE CO[C@H]1C[C@H]1NS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 2188217725 BUINEXLVTFIIGO-APPZFPTMSA-N 302.312 -0.054 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1Nc1nccc(N)c1[N+](=O)[O-] 2207471056 OIDYHSHPGOSDRL-YUMQZZPRSA-N 302.312 -0.204 5 10 DBBE NNc1cc(NC[C@H]2CCS(=O)(=O)N2)ccc1[N+](=O)[O-] 2234448931 ULJFTLUGSMSFAB-MRVPVSSYSA-N 301.328 -0.016 5 10 DBBE O=C(O)[C@@]1(Nc2ncncc2[N+](=O)[O-])CCS(=O)(=O)C1 2235272972 CJCGHFRMZLNRSM-SECBINFHSA-N 302.268 -0.561 5 10 DBBE NCC1(Oc2nc(Cl)ncc2[N+](=O)[O-])CS(=O)(=O)C1 2267892886 XMUVNDWPMUXRFE-UHFFFAOYSA-N 308.703 -0.457 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1)C(N)=O 35796764 SECOIUQFJYICRL-RXMQYKEDSA-N 303.300 -0.968 5 10 DBBE CS(=O)(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50620692 UUDLLOHILZALJI-UHFFFAOYSA-N 323.352 -0.500 5 10 DBBE CCC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 425020668 QLBYPCAYQNSCOB-UHFFFAOYSA-N 308.294 -0.205 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2=CCCOC2)n1 599307754 YFQGPQKXJKAYQP-UHFFFAOYSA-N 302.312 -0.047 5 10 DBBE Cn1cc(CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c([N+](=O)[O-])n1 1307994331 NOGBKFLJDVDBKH-STQMWFEESA-N 307.310 -0.187 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H](Cn2ccnn2)C1 1320083364 VCBMDOKMZNHRKC-SNVBAGLBSA-N 320.313 -0.283 5 10 DBBE C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1nncn1C 1334954756 JSRVILHVJDIFBS-ZCFIWIBFSA-N 315.315 -0.504 5 10 DBBE O=C(CN1CC[C@@H](O)[C@@H](O)C1)N1CCc2ccc([N+](=O)[O-])cc21 1620503425 LKKWPLNMHAREOR-KGLIPLIRSA-N 321.333 -0.089 5 10 DBBE CC(C)C(=O)NCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1628380512 PEWJTEWKXHMSPX-UHFFFAOYSA-N 310.310 -0.355 5 10 DBBE NC(=O)[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCO1 1631479152 BIDKEUXMRVGWQH-JTQLQIEISA-N 311.269 -0.011 5 10 DBBE CN1C(=O)CN=C1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 1647894986 NSGWDRWIFMQMDN-UHFFFAOYSA-N 306.234 -0.119 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](NS(C)(=O)=O)C1 1652484275 NPJIGPSEPIWCQG-JTQLQIEISA-N 317.371 -0.277 5 10 DBBE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(C)nn1 1724850112 GYQIOUMFECHFRP-VXGBXAGGSA-N 310.358 -0.239 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CO)CCCO)cn1 2146559965 FTLHESAVRAEYTK-QMMMGPOBSA-N 305.312 -0.599 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CC2(C1)OC[C@@H](O)[C@H]2O 2183652881 ZBXGRPWSBWLTFE-RKDXNWHRSA-N 302.308 -0.541 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2cc(NN)ccc2[N+](=O)[O-])C1 49087007 SIPLJWAICPJEQZ-VIFPVBQESA-N 315.355 -0.137 5 10 DBBE CC(CO)(CO)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 126244736 QMZGGTVMTOENTJ-UHFFFAOYSA-N 304.324 -0.243 5 10 DBBE Nc1cc(S(=O)(=O)N[C@@H]2CCCNC2=O)ccc1[N+](=O)[O-] 132033137 GZJWZKWSGPQOCZ-SECBINFHSA-N 314.323 -0.266 5 10 DBBE C[C@@H](O)CN(CCO)S(=O)(=O)c1cncc([N+](=O)[O-])c1 313292848 GDULZAHRNVNCAX-MRVPVSSYSA-N 305.312 -0.646 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1COC[C@H]1O 323141587 YBCAYPPOFASOAC-GXSJLCMTSA-N 302.308 -0.226 5 10 DBBE COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 346844828 LPCPVXBYKDMKNK-YWVKMMECSA-N 323.309 -0.014 5 10 DBBE CN1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593560333 DPBSVZOUDLJCKO-VIFPVBQESA-N 314.323 -0.111 5 10 DBBE CC(C)NC(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594745510 SZTOFLJWCFFCLI-UHFFFAOYSA-N 302.312 -0.207 5 10 DBBE CNCCOCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 599895871 FNKFZQFNVYWRRR-UHFFFAOYSA-N 310.310 -0.115 5 10 DBBE Nc1ncnc(N2CCC[C@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] 707384396 IOFZWWYGXBMRLD-LURJTMIESA-N 302.316 -0.776 5 10 DBBE CC[C@](COC)(NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)OC 1460700055 GIUBKHOSEPGDDT-GFCCVEGCSA-N 314.298 -0.124 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC1(O)CCOCC1 1638869060 GXPAXRGKNCTALW-UHFFFAOYSA-N 311.294 -0.586 5 10 DBBE CN(C)CC1(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1704570800 STBCGZDORNNKTE-VXGBXAGGSA-N 324.381 -0.432 5 10 DBBE NC(=O)C1(O)CN(C(=O)c2cc([N+](=O)[O-])cnc2Cl)C1 1915223056 DFOVLIBLZDGYOU-UHFFFAOYSA-N 300.658 -0.685 5 10 DBBE NNc1cc([N+](=O)[O-])cc(N2CCS(=O)(=O)CCO2)n1 2146459590 JMBFUMSPZYVWPY-UHFFFAOYSA-N 303.300 -0.558 5 10 DBBE C[C@@]1(O)CON(S(=O)(=O)c2cccc(N)c2[N+](=O)[O-])C1 2149797758 VRFXHMHGHWYMKK-JTQLQIEISA-N 303.296 -0.136 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNCC2CN(S(C)(=O)=O)C2)n1 2233066542 SUKICRAHSOZPMI-UHFFFAOYSA-N 303.344 -0.691 5 10 DBBE COC(=O)[C@H](N)CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 2286031878 VTZNAVRJAWMGPQ-SECBINFHSA-N 303.296 -0.163 5 10 DBBE C[C@@H](C[S@](C)=O)NC(=O)c1cc([N+](=O)[O-])ncc1NN 379843013 KDJCRUOLWSXYGB-SVPXGXJHSA-N 301.328 -0.228 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2C[C@H]1C[S@@]2=O 593870672 RKSDUGARFKXGOT-FRGLDACASA-N 311.319 -0.512 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](Cn3ccnn3)C2)c1 595609646 ZPJQNFGPNZCLDB-YPMHNXCESA-N 321.341 -0.234 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CN2CCCN1CC2 619874036 WWWBEMZZXZJOTJ-NSHDSACASA-N 308.342 -0.703 5 10 DBBE C[C@@H]1COCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 859078410 DTEJCDUJURJOCG-QMMMGPOBSA-N 304.328 -0.015 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)Cc2cnc[nH]2)n1 1455026860 NLZAVNZJKXNYTO-VIFPVBQESA-N 308.298 -0.132 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1[nH]nnc1C 1528845498 PQGDOJRSGHHLHA-RKDXNWHRSA-N 310.314 -0.643 5 10 DBBE NC(=O)CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 1560108124 QNGFNTBSTQFFGW-UHFFFAOYSA-N 324.337 -0.277 5 10 DBBE COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1N 1636045486 DDHKPUFAUOHDRY-LDYMZIIASA-N 309.278 -0.075 5 10 DBBE Cn1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1=O 1699255394 MFXFIENGEZZWHP-XCUNLHGCSA-N 320.349 -0.188 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1cncn1 1704375217 WUJFVWPKDDZEPO-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1csc(O)n1 1720274546 OWMFORJSCHUFHY-HTRCEHHLSA-N 314.323 -0.250 5 10 DBBE Cc1cc(=N[C@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c(C)[nH]1 2177803754 ZPNWTNWBFCILEH-VHSXEESVSA-N 301.324 -0.402 5 10 DBBE O=C(Nc1ccnc(Cl)c1[N+](=O)[O-])[C@@H]1NC[C@@H](O)[C@@H]1O 2201150496 UEFLWUIRCGWDPD-JKMUOGBPSA-N 302.674 -0.725 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2[C@H](C1)CS2(=O)=O 2361469676 YVFBUHTVOVUZHO-NXEZZACHSA-N 300.340 -0.171 5 10 DBBE Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)NCCOC(N)=O 135278580 TULJVKJDRLYDHH-UHFFFAOYSA-N 318.311 -0.141 5 10 DBBE C[C@]1(Nc2ncnc(NN)c2[N+](=O)[O-])CCS(=O)(=O)C1 159838100 RKAPIRVYXRWKQI-VIFPVBQESA-N 302.316 -0.341 5 10 DBBE CN(C)c1cccnc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 362328532 SSGVIVCONLTWHN-UHFFFAOYSA-N 305.298 -0.036 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2C(=O)OC)n1 427393576 APQNBTOUMWCXLO-SECBINFHSA-N 312.282 -0.175 5 10 DBBE Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC(N)=O)C(=O)C2)c1 458053487 SHZPEVPOOJMDCP-UHFFFAOYSA-N 320.305 -0.327 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2cncn2C)n1 599273075 ZIEGHRAZKJQTFX-UHFFFAOYSA-N 314.327 -0.417 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C1 703184293 QQCBNUYKDOVZDY-ZETCQYMHSA-N 301.328 -0.300 5 10 DBBE C[C@@](O)(CO)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 801973231 CNSCGQGYWBHDIP-LBPRGKRZSA-N 302.258 -0.028 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NCCS(=O)(=O)N1CCOCC1 1185088556 HYBYDMAZAUAFKZ-UHFFFAOYSA-N 319.343 -0.598 5 10 DBBE O=C(NCCN(C(=O)c1cnon1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1284733975 MQGODFBESLHOHV-PSASIEDQSA-N 309.282 -0.544 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@](O)(CN(C)C)C1 1302819942 YLEQBOCQAVWYFW-CYBMUJFWSA-N 311.342 -0.375 5 10 DBBE CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1324841858 OKIDNXRNQQSUPW-QMMMGPOBSA-N 316.339 -0.023 5 10 DBBE Cc1cn(C)nc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1358661078 BKXHYBDDZWENTA-NXEZZACHSA-N 321.337 -0.228 5 10 DBBE COc1cc(OCC(=O)NC[C@@H](O)CO)ccc1[N+](=O)[O-] 1456718594 DFWDSFZSGRLDAR-MRVPVSSYSA-N 300.267 -0.548 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)n1 1544616490 OORQYNMAQMPWEK-SSDOTTSWSA-N 307.266 -0.652 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H](CO)[C@@H](CCO)C2)c1 1655113000 LASPUSUCLQSYFZ-DMDPSCGWSA-N 314.342 -0.925 5 10 DBBE NS(=O)(=O)C[C@@H]1CCCN1c1nc(F)ncc1[N+](=O)[O-] 2146413379 VRUYAECBEOLHTC-LURJTMIESA-N 305.291 -0.219 5 10 DBBE NNc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]1CO 2148959047 UUNFQUKVSHHOQR-ZETCQYMHSA-N 302.312 -0.364 5 10 DBBE CCNc1nc[nH]c(=NC[C@H]2CCS2(=O)=O)c1[N+](=O)[O-] 2150733225 MLVLAZCGPOXNBW-SSDOTTSWSA-N 301.328 -0.163 5 10 DBBE CN=c1[nH]c(N=[S@]2(=O)CC[C@@H](CN)C2)ncc1[N+](=O)[O-] 2173818973 TXNWPAZVSGPCFW-JKNYTWMOSA-N 300.344 -0.074 5 10 DBBE CS[C@@H]1COC[C@@H]1N=c1[nH]c(NN)nc(C)c1[N+](=O)[O-] 2207539584 UHKLROJQKUACAD-NKWVEPMBSA-N 300.344 -0.057 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CNCCNC1 2287638476 DDFDCBJCZCAIMX-UHFFFAOYSA-N 300.340 -0.566 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H]2CCS(=O)(=O)C2)c1 38083854 IJQUBZUTIQCYJI-MWLCHTKSSA-N 318.355 -0.824 5 10 DBBE CCn1cc([N+](=O)[O-])c(=O)n(C[C@@H](O)CNC(C)C)c1=O 111544537 XGFOZLCIJOVSNF-VIFPVBQESA-N 300.315 -0.703 5 10 DBBE Cn1ncnc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 131334031 GFGAPHFYQKHIOW-UHFFFAOYSA-N 313.299 -0.190 5 10 DBBE CC(C)(CNc1nc(N)ncc1[N+](=O)[O-])NS(C)(=O)=O 232519547 YEDWZKMEVYTTLH-UHFFFAOYSA-N 304.332 -0.293 5 10 DBBE O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CN1C1CC1 593588688 LIZBHCGCJKVLQA-UHFFFAOYSA-N 312.307 -0.057 5 10 DBBE NNc1sc(S(=O)(=O)N2CC3(COC3)C2)cc1[N+](=O)[O-] 697145180 WSNBPWSNMWQBDG-UHFFFAOYSA-N 320.352 -0.037 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@H](O)CO 698919501 ODRRWNOAAGEOEP-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE NNc1cc(S(=O)(=O)Nc2nn[nH]n2)ccc1[N+](=O)[O-] 709895178 AAHXOPUOVTUSNM-UHFFFAOYSA-N 300.260 -0.806 5 10 DBBE N[C@H]1CCOC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 721893480 XVJMFTOBMSMZQP-WDEREUQCSA-N 301.324 -0.011 5 10 DBBE COC[C@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1134212765 BLORNACOGRWUPD-NSHDSACASA-N 311.294 -0.370 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 1340802944 NOZGFPDRZBWFEB-NSHDSACASA-N 316.339 -0.207 5 10 DBBE Cc1ccnc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1532959432 DIHOLDHJEMZSAK-GHMZBOCLSA-N 321.337 -0.019 5 10 DBBE COC(=O)[C@@H](CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1615976963 UJXYPHAWEWGDTO-SECBINFHSA-N 303.296 -0.627 5 10 DBBE Cn1cncc1CN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1700491059 UVUGRDHHCCRIBP-VXGBXAGGSA-N 323.353 -0.862 5 10 DBBE CCN=c1nc(N2CC(S(C)(=O)=O)C2)c([N+](=O)[O-])c[nH]1 2152330281 MZSGARMCMZQTSH-UHFFFAOYSA-N 301.328 -0.528 5 10 DBBE NC[C@@H]1CC[S@@](=O)(=NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 2154590702 LLBJMCRSRUSXHD-FHZGZLOMSA-N 301.328 -0.236 5 10 DBBE CN=c1nc(N=[S@](C)(=O)C2CNC2)c([N+](=O)[O-])c(C)[nH]1 2173934637 GGMSLYOMHWZLBZ-HXUWFJFHSA-N 300.344 -0.142 5 10 DBBE COCC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CNC1 2190697168 DZOFDRVDIWNVRK-UHFFFAOYSA-N 301.324 -0.139 5 10 DBBE CCCN=c1ncc(S(=O)(=O)N2CC([N+](=O)[O-])C2)c[nH]1 2191502532 CHGCNXZTMMIUIT-UHFFFAOYSA-N 301.328 -0.630 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1N=c1[nH]c(F)ncc1[N+](=O)[O-] 2207468614 CPUXHNWBJZHVDF-CAHLUQPWSA-N 306.275 -0.830 5 10 DBBE O=C(C[C@@H]1NC(=O)NC1=O)NCCc1ccc([N+](=O)[O-])cc1 56147162 XXBYZLBPOXDDTJ-JTQLQIEISA-N 306.278 -0.148 5 10 DBBE Cc1nn(C[C@@H](O)CNCCS(C)(=O)=O)c(C)c1[N+](=O)[O-] 69369583 LWGCCQUGPYTKNC-JTQLQIEISA-N 320.371 -0.597 5 10 DBBE C[C@@H](COc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-])C(N)=O 215814033 LVDSVEJXYMHQKA-YFKPBYRVSA-N 321.286 -0.119 5 10 DBBE CN(C)S(=O)(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC1 314637723 ULRUWSSHBWHCMT-UHFFFAOYSA-N 315.355 -0.082 5 10 DBBE CC(C)(C)N1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1=O 350560171 SUGFNVPDHGSQRX-QMMMGPOBSA-N 310.314 -0.298 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)c1 612792627 SGVZTYRESLLWCH-AOOOYVTPSA-N 302.308 -0.289 5 10 DBBE CCC(CC)S(=O)(=O)NC(=O)Cn1cnc([N+](=O)[O-])n1 733713955 PHNFXEPQYFHYBB-UHFFFAOYSA-N 305.316 -0.179 5 10 DBBE COC(=O)[C@]1(OC)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 1147897955 NTWIFNJHLTUAJS-ZDUSSCGKSA-N 324.293 -0.024 5 10 DBBE COC(=O)[C@@]1(O)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 1175668900 IPLJYXDJDKYZHY-CQSZACIVSA-N 323.305 -0.197 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnns1 1285924227 VXQOPQJINGPTOL-RNFRBKRXSA-N 311.323 -0.418 5 10 DBBE COC/C(C)=C/C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331540558 HNZNMMBNANYWIU-QPJJXVBHSA-N 318.311 -0.274 5 10 DBBE CC[C@@]1(C)NC(=O)N(CC(=O)Nc2c([N+](=O)[O-])cnn2C)C1=O 1523558298 JKOKXDQNIHISAU-GFCCVEGCSA-N 324.297 -0.013 5 10 DBBE CN1CCn2c(CNC(=O)c3ccc([N+](=O)[O-])o3)nnc2C1=O 1644777319 KLUIDTNFCFALOP-UHFFFAOYSA-N 320.265 -0.205 5 10 DBBE CCCN(CCNC(=O)c1cn(C)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704377172 JQGOHIGAVBFWGY-MWLCHTKSSA-N 324.341 -0.551 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnnn1C1CC1 1707376392 KQHYKLROPWDRMA-GHMZBOCLSA-N 323.357 -0.389 5 10 DBBE CC(C)=CC(=O)NCC1(O)CN(Cc2c([N+](=O)[O-])ncn2C)C1 1733496493 RXWNPRMHBVRCKE-UHFFFAOYSA-N 323.353 -0.043 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=N[C@@H]1CS(=O)(=O)C[C@H]1O 2121469070 RXDCQOWSORYYQJ-INEUFUBQSA-N 308.703 -0.970 5 10 DBBE NNc1ccc([N+](=O)[O-])c(NC[C@@H]2CCS(=O)(=O)N2)n1 2146209921 WYDWACRPZXOUSD-LURJTMIESA-N 302.316 -0.621 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CONC1=O 2148981475 MZYNXVUVHICAEX-ZETCQYMHSA-N 301.280 -0.388 5 10 DBBE N[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2149985797 DGNPTCQILQJXQV-BDAKNGLRSA-N 305.287 -0.262 5 10 DBBE C[C@@H](CO)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 122574182 CBBFRJDNMVSXAT-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE CN([C@H]1CNC[C@@H]1O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 209481001 AXRMAMUFQHVVMH-UWVGGRQHSA-N 301.324 -0.452 5 10 DBBE C[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncnc(NN)c1[N+](=O)[O-] 712254311 NSXZBSREKNQFOF-RITPCOANSA-N 302.316 -0.485 5 10 DBBE CC(C)(C)OC(=O)NCCN(CC[N+](=O)[O-])C[C@H](O)CO 1195394017 SSFKLKXUTVYZTE-JTQLQIEISA-N 307.347 -0.557 5 10 DBBE O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1c[nH]nc1[N+](=O)[O-] 1333502511 GUFULRNBJALWLJ-JTQLQIEISA-N 323.309 -0.172 5 10 DBBE O=Cc1ccc(OCC(=O)N2CC(CO)(CO)C2)c([N+](=O)[O-])c1 1595387712 MQEPLBUZXSVEEQ-UHFFFAOYSA-N 324.289 -0.401 5 10 DBBE C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ncn(C)n1 1616573588 BBYQIOYZZPBVAD-MRVPVSSYSA-N 306.282 -0.238 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC[C@]12COCCN1C(=O)COC2 1640288477 ANOSUZUZXQGDIS-GFCCVEGCSA-N 311.298 -0.632 5 10 DBBE CS(=O)(=O)N1CC(CSc2ncc([N+](=O)[O-])c(N)n2)C1 1641145734 KRNXSIAXCGKZOV-UHFFFAOYSA-N 319.368 -0.050 5 10 DBBE COC(=O)[C@]1(O)CCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)C1 1650954601 JKRLPEXLVNMAOA-LBPRGKRZSA-N 312.282 -0.764 5 10 DBBE CCC1(NCC(=O)NC)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1733803426 WOSKLSBNQYBLCT-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)NCCCO)c1 1861338680 VYXSMARXCWYYLT-UHFFFAOYSA-N 311.294 -0.168 5 10 DBBE CN(OCC(=O)O)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2145973689 MFLQMKKSXSFBSJ-UHFFFAOYSA-N 306.252 -0.063 5 10 DBBE N[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2149986007 FBOZZEKJWYAKAE-YUMQZZPRSA-N 305.287 -0.262 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)[C@@H](N)CO1 2165824886 JGFMTRNOOKEGOC-OIBJUYFYSA-N 302.312 -0.316 5 10 DBBE CN=c1[nH]c(N=[S@](C)(=O)CC2CNC2)ncc1[N+](=O)[O-] 2173821376 FQDJZZCLKZSSAR-HXUWFJFHSA-N 300.344 -0.203 5 10 DBBE NC[C@H](O)CNS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235875254 DRUJESSFKNLKTL-YFKPBYRVSA-N 311.266 -0.529 5 10 DBBE O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)NCCO 40714105 HAVRAVJLWYPERH-UHFFFAOYSA-N 320.099 -0.373 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@H](N)[C@H](C)O)cc1[N+](=O)[O-] 80748793 BWZKHJNIDFGFFV-CBAPKCEASA-N 319.339 -0.410 5 10 DBBE Cc1nn(CN2CC[C@H](NS(C)(=O)=O)C2)c(C)c1[N+](=O)[O-] 116869120 BHVPRSTZCYYHBM-JTQLQIEISA-N 317.371 -0.011 5 10 DBBE C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 281478526 FVUVBCIPKZOOMF-VHSXEESVSA-N 311.342 -0.145 5 10 DBBE COc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c(OC)n1 362171450 XZJYVQYHCGXIDM-UHFFFAOYSA-N 322.281 -0.085 5 10 DBBE CN(C)C[C@@]1(O)CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 597575272 WGQSOUPDFREDOS-ZDUSSCGKSA-N 311.342 -0.143 5 10 DBBE CC1(C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCN1CCO 614894447 DDQBYMLOYVCHMZ-UHFFFAOYSA-N 312.330 -0.899 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1c(O)cccc1[N+](=O)[O-])C(=O)O 691683422 RYDCVJDIVWAEDF-YFKPBYRVSA-N 305.268 -0.546 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCCC2CS(=O)(=O)C2)n1 1128029663 AYKHRQDHNZJHFQ-UHFFFAOYSA-N 302.312 -0.507 5 10 DBBE CS(=O)(=O)[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1254910702 PHVBGQJHKUMSPE-MRVPVSSYSA-N 317.327 -0.778 5 10 DBBE COc1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 1349937569 ZEFXGJPNBKMBGN-HTQZYQBOSA-N 312.282 -0.416 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN([C@@H]2CCC[C@@H]2O)CC1 1442799619 FYAYJQYEFXVGEH-KOLCDFICSA-N 309.326 -0.011 5 10 DBBE COc1c(C(=O)N2CC(=O)NCC23COC3)cccc1[N+](=O)[O-] 1537421435 MCVGRCBHMKDSRS-UHFFFAOYSA-N 321.289 -0.056 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1CCS(=O)(=O)CCO1 1537993011 UKIOVFZDFNZYCJ-UHFFFAOYSA-N 318.311 -0.630 5 10 DBBE CCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@@H]1CC(=O)NC1=O 1544343652 KNTSTUWIRXAUEY-SCSAIBSYSA-N 315.673 -0.152 5 10 DBBE CNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 1620567769 NMCPUISIEPQQOP-UHFFFAOYSA-N 321.337 -0.198 5 10 DBBE CNC(=O)NC(=O)Cn1nc([N+](=O)[O-])nc1Br 1656819486 TVWAYABUXXWLJT-UHFFFAOYSA-N 307.064 -0.596 5 10 DBBE O=C1OCC[C@]12CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 1660694150 LJFYOXTUWBZXOV-YPMHNXCESA-N 310.310 -0.209 5 10 DBBE CN1[C@H](CNc2[nH]c(=N)ccc2[N+](=O)[O-])CCS1(=O)=O 2145346262 JQXIMUBNZSVRGF-ZETCQYMHSA-N 301.328 -0.152 5 10 DBBE CNC1CN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])C1 2145487975 HDYJIDBERSZBQH-UHFFFAOYSA-N 300.340 -0.089 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](F)[C@H](O)C2)c1 2149266112 IQPUBLSBJACKER-IONNQARKSA-N 305.287 -0.120 5 10 DBBE Nc1sc(S(=O)(=O)N2CC[C@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] 2188622318 FIDKXPMJBDPHLT-BQBZGAKWSA-N 323.352 -0.645 5 10 DBBE O=[N+]([O-])c1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 1757589 IXFOBQXJWRLXMD-PZWNZHSQSA-N 317.319 -0.513 5 10 DBBE CCS(=O)(=O)CCNC(=O)c1cc(N)ncc1[N+](=O)[O-] 233812547 AXJURQVQINWLTO-UHFFFAOYSA-N 302.312 -0.264 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCSC[C@@H]2CCO)c1 347384675 WZDNTFSNOBYLHR-JQWIXIFHSA-N 316.383 -0.048 5 10 DBBE C[C@H]1CN[C@H](C)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599099830 DJJCJIDITLSYKT-SFYZADRCSA-N 303.344 -0.301 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@](C)(O)C2)n1 599271456 YDUCTWXUTNYKAX-JTQLQIEISA-N 304.328 -0.136 5 10 DBBE Nc1cccc([N+](=O)[O-])c1C(=O)N1CC2(C[C@H](O)CNC2=O)C1 1177693362 RRQWBIGMBWHYJP-QMMMGPOBSA-N 320.305 -0.500 5 10 DBBE Cn1cc(C(=O)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cn1 1179582765 ATOVQPVIFNPFPP-UHFFFAOYSA-N 319.277 -0.511 5 10 DBBE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334958342 UEOLCCKJENBAIR-AHGSNSTDSA-N 310.357 -0.626 5 10 DBBE CC(C)O[C@]1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCOC1 1439547075 REZIMCZXMPIEOS-LBPRGKRZSA-N 313.314 -0.113 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1595699369 NAMXLXGRRIRITP-SECBINFHSA-N 308.294 -0.744 5 10 DBBE CN(CC(=O)N1C[C@H](O)[C@@H](CO)C1)c1ccccc1[N+](=O)[O-] 1629601106 PIIMZQAINZEKNT-MFKMUULPSA-N 309.322 -0.157 5 10 DBBE CCN1CCC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1=O 1645108288 KYEIBTFWOFEOBC-JTQLQIEISA-N 322.321 -0.116 5 10 DBBE CN(C)[S@](C)(=O)=NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1656259737 MKZXYODJXGERMR-HXUWFJFHSA-N 302.312 -0.143 5 10 DBBE O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCN=C1C[N+](=O)[O-] 1852330333 GZOYLJPGFTYTRO-JTQLQIEISA-N 324.337 -0.469 5 10 DBBE C[S@](=O)(=Nc1ncc([N+](=O)[O-])c(=N)[nH]1)N1CCNCC1 2173821445 VKCCJDLGWFCDAX-FQEVSTJZSA-N 301.332 -0.653 5 10 DBBE COc1ccc([N+](=O)[O-])c(N[C@H]2CS(=O)(=O)C[C@H]2O)n1 2177807346 APQRLHQQKWZZTF-POYBYMJQSA-N 303.296 -0.432 5 10 DBBE CC(C)n1cc([N+](=O)[O-])c(=NC2CN(S(C)(=O)=O)C2)[nH]1 2239012522 XBISMRRQYOFAAK-UHFFFAOYSA-N 303.344 -0.150 5 10 DBBE NCC(CO)(CO)NC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 2280471835 CJPFXKOWWMVZBD-UHFFFAOYSA-N 304.690 -0.945 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2289409430 XFWLHVMRFJRQEZ-HKPALBBZSA-N 302.308 -0.558 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC([C@@H](O)CO)C2)c1 2362003431 WOBOAKHUSKVGMS-NSHDSACASA-N 302.308 -0.432 5 10 DBBE NS(=O)(=O)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 40218781 BPVBQVOENWCWEF-UHFFFAOYSA-N 309.325 -0.838 5 10 DBBE CC(C)(NS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-])C(N)=O 45110464 IMNUDAYQPHIYLF-UHFFFAOYSA-N 317.327 -0.577 5 10 DBBE NNc1ccc([N+](=O)[O-])c(C(=O)NCCCS(N)(=O)=O)c1 51095208 YPVAHNDYWOXJAO-UHFFFAOYSA-N 317.327 -0.711 5 10 DBBE NS(=O)(=O)c1cc(C(=O)OC2COC2)cc([N+](=O)[O-])c1 98059834 LDFMNLIUILOIFI-UHFFFAOYSA-N 302.264 -0.202 5 10 DBBE NC(=O)CNC(=O)c1cc([N+](=O)[O-])ncc1Br 302259306 NRPDEDUPRJXKHG-UHFFFAOYSA-N 303.072 -0.033 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@H]2COC[C@H]2O)cc1[N+](=O)[O-] 323113842 IGVRWJCKQHQVFK-GXSJLCMTSA-N 302.308 -0.059 5 10 DBBE COc1ccc(CC(=O)N2CC[C@@](O)(C(N)=O)C2)cc1[N+](=O)[O-] 552188107 CLUDPJSLOHJNAM-AWEZNQCLSA-N 323.305 -0.405 5 10 DBBE COc1cc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nn1C 600655964 VGYMJLVDQNPLEN-UHFFFAOYSA-N 316.299 -0.129 5 10 DBBE C[C@H]1[C@@H](C)N(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[S@@]1=O 1116883080 IXOVGLRAUVNDNT-RDLWGGRYSA-N 301.328 -0.446 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)[C@@H](C)O)CC1 1168893447 JEBHZKLZERHFBW-SNVBAGLBSA-N 311.342 -0.375 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 1192401845 PPQPCAYVMYRQGF-SECBINFHSA-N 303.344 -0.548 5 10 DBBE CC(=O)NCC(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C 1317562870 KWUGNYCLVBWRKL-UHFFFAOYSA-N 312.330 -0.988 5 10 DBBE Cc1[nH]nc(C(=O)N2CCN(C3CN(C)C3)CC2)c1[N+](=O)[O-] 1347363105 PLXVXRLJJFGVKV-UHFFFAOYSA-N 308.342 -0.302 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCc3cnc(N)nc3C2)n1 1351289075 ULJLYAKSLUYLAQ-UHFFFAOYSA-N 303.282 -0.101 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CN(C)C1CCC1 1355591920 LVPSYUACYYIGDF-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@]2(CCOC2=O)C1 1623662770 YSSPUIVYZYYXCI-CQSZACIVSA-N 321.289 -0.078 5 10 DBBE CNC(=O)[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1630403583 JTIFAMXHEVDAHX-VIFPVBQESA-N 308.294 -0.649 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NN1C(=O)[C@@H](C)N(C)C1=O 1640919455 YXEDXEHPNYSDLL-ZCFIWIBFSA-N 310.270 -0.587 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(N[C@H]2CCOC2)C1 1652690403 FIHNUANMIXIBAI-JTQLQIEISA-N 309.326 -0.311 5 10 DBBE C[C@H](O)[C@H](NC(=O)C(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 1866062169 FCWOABDVVWXJAZ-CPCISQLKSA-N 310.262 -0.343 5 10 DBBE Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CN)CO)cc1C 2182586765 ZFBUNSWTTNAPSA-SECBINFHSA-N 303.340 -0.190 5 10 DBBE CS[C@@H]1COC[C@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 2207562388 QQGBAGAOGXMKBV-GMTAPVOTSA-N 302.356 -0.128 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NCCCN(C)S(C)(=O)=O)[nH]1 2238912424 MSHGBYWINAIWCF-UHFFFAOYSA-N 305.360 -0.074 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2289402922 TYQSNCBTKNTGRR-HAFWLYHUSA-N 304.690 -0.812 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 132289572 BMEFEVLSBQOKBB-LURJTMIESA-N 302.312 -0.410 5 10 DBBE NNc1ncc([N+](=O)[O-])c(N2CCCS(=O)(=O)CC2)n1 236286272 ZUEKSXOTVLJXIR-UHFFFAOYSA-N 302.316 -0.705 5 10 DBBE O=C(NC[C@H]1CN2CCCN1CC2)c1cnc(O)c([N+](=O)[O-])c1 590355367 SWZPDVXOHIYSKV-NSHDSACASA-N 321.337 -0.185 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 596432560 HBIGJFIEFDXTMI-SFYZADRCSA-N 302.312 -0.204 5 10 DBBE COCCOC1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599246871 NNCHYXVDTAIBLA-UHFFFAOYSA-N 320.327 -0.636 5 10 DBBE CNc1ccc([N+](=O)[O-])c(N2CC(NS(C)(=O)=O)C2)n1 703120315 BJLAPQUBEHZOIA-UHFFFAOYSA-N 301.328 -0.231 5 10 DBBE CN(CCS(N)(=O)=O)c1cc(C(=O)O)c([N+](=O)[O-])cn1 719722110 ASTUVNJLLOQYJB-UHFFFAOYSA-N 304.284 -0.587 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCCS1(=O)=O 1320154603 UAFBGVDNWVZNNX-MRVPVSSYSA-N 317.327 -0.730 5 10 DBBE O=C1NCCO[C@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]12 1455088621 AKFPYNAODZWCSZ-WPRPVWTQSA-N 309.282 -0.563 5 10 DBBE Cn1cc(CN2CC[C@H](CNS(C)(=O)=O)C2)c([N+](=O)[O-])n1 1473776718 QJZBZOURZBSDBV-SECBINFHSA-N 317.371 -0.301 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2CCO)n1 1624698572 UOLODEORMOIQOY-SNVBAGLBSA-N 311.342 -0.095 5 10 DBBE O=C(NCC1(CO)CNC1)c1ccnc(Cl)c1[N+](=O)[O-] 2201718447 ZZJAQVNMUQFAPS-UHFFFAOYSA-N 300.702 -0.045 5 10 DBBE Cc1[nH]c(=NC[C@@H]2NC[C@@H](O)[C@@H]2O)c(Cl)cc1[N+](=O)[O-] 2233970344 DBUPECYHBNARRY-FXBDTBDDSA-N 302.718 -0.521 5 10 DBBE CS(=O)(=O)CCNC(=O)c1cc(NN)ccc1[N+](=O)[O-] 51088039 FMHPUHUHAGGGTI-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC[C@@](C)(O)CO)cc21 588038210 ITHMJTOGJQGOHV-CYBMUJFWSA-N 310.310 -0.060 5 10 DBBE NC(=O)[C@H](O)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F 597585210 IGLWVBHKKCCXSR-SECBINFHSA-N 303.221 -0.622 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 1116837983 QIQAKECYKBBVNB-LURJTMIESA-N 303.300 -0.918 5 10 DBBE CCN(CCNC(=O)c1ccnnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1529139562 IMSWBHLXPRKKSF-GHMZBOCLSA-N 307.310 -0.280 5 10 DBBE O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCS(=O)(=O)C[C@@H]1CCO 1635342309 TWPJCVRUUOUSMG-QMMMGPOBSA-N 317.323 -0.456 5 10 DBBE O=C(Cc1cscn1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1687003837 PRKXPWHSOZJGNY-NXEZZACHSA-N 312.351 -0.027 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@@H]1CCC(=O)N1 2156814926 YCCDQGJTYJOBKQ-LURJTMIESA-N 303.300 -0.974 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=NCCNS(=O)(=O)C1CC1 2158558007 OPKQRYYYXGCERG-UHFFFAOYSA-N 321.746 -0.046 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O 2177954209 IIAPYCGMPNKOBD-OFBQIVOGSA-N 303.702 -0.420 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C[C@H]1N 2179202171 MPQQOWKTIDNEKX-NXEZZACHSA-N 302.312 -0.664 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=NC[C@H](C)S(C)(=O)=O)[nH]1 2286638722 HANZMTLSPRFQSR-ZETCQYMHSA-N 304.328 -0.202 5 10 DBBE CN(NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1)S(C)(=O)=O 2365258912 KXQMMDQRVICPIE-UHFFFAOYSA-N 324.340 -0.738 5 10 DBBE CC(CO)(CO)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 126291387 YJHWGQGCHTUCRM-UHFFFAOYSA-N 308.287 -0.245 5 10 DBBE CNC(=O)CCOc1c(F)cc([N+](=O)[O-])cc1S(N)(=O)=O 215980011 WTIGWBGCAPUYET-UHFFFAOYSA-N 321.286 -0.104 5 10 DBBE C[C@H](O)CN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 302474276 WLLIJONYHSQQIR-VIFPVBQESA-N 309.326 -0.409 5 10 DBBE CN(C)S(=O)(=O)CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 589608945 VBYNQNYOTWRERK-UHFFFAOYSA-N 318.355 -0.027 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1 593097729 QINAKHYTPGXQEU-MYOMBSSVSA-N 300.340 -0.643 5 10 DBBE Cc1[nH]nc(C(=O)N2CCN(c3nncn3C)CC2)c1[N+](=O)[O-] 594385643 IBJPZAIFXQKYJU-UHFFFAOYSA-N 320.313 -0.283 5 10 DBBE CNC(=O)CCN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] 594760909 WEFUAKCNOGFXGS-UHFFFAOYSA-N 302.312 -0.254 5 10 DBBE C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1S(C)(=O)=O 596477099 BGPKBAJDWTYERK-MRVPVSSYSA-N 303.344 -0.202 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1c([N+](=O)[O-])nc(C)n1C 697268662 BLNXDLDYNUQYHU-SFYZADRCSA-N 304.328 -0.139 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CNC[C@H]1O 699962671 NCBLZKAPDOISRW-GXSJLCMTSA-N 301.324 -0.653 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2OCCN[C@@H]2C1 725372922 CLQZMXASILETRA-KOLCDFICSA-N 313.335 -0.044 5 10 DBBE CO[C@H](C)CS(=O)(=O)NC(=O)Cn1ccc([N+](=O)[O-])n1 764212153 VMAZKEYBEZKSIL-SSDOTTSWSA-N 306.300 -0.728 5 10 DBBE O=C1OC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]12 859418803 WLBLGDGQUMHLQF-VXNVDRBHSA-N 313.291 -0.217 5 10 DBBE CC(C)(O)CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 940892160 JUSQTVXGZAYGOZ-GHMZBOCLSA-N 313.354 -0.127 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(C(=O)O)CCCOC2)n1 1331825973 GEYIBEDSBOCDHH-LBPRGKRZSA-N 312.282 -0.061 5 10 DBBE O=C1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1 1334443045 ZJHDCEIKYBRKNW-SECBINFHSA-N 308.294 -0.459 5 10 DBBE COCCn1cc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cn1 1344597954 CEVOXCHRIHEOGC-UHFFFAOYSA-N 309.286 -0.654 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]2C1=O 1557967837 ZLASRFBACBTOKA-OCAPTIKFSA-N 318.289 -0.136 5 10 DBBE Cc1nn(C)c(C(=O)NC[C@@H]2CCN(C(N)=O)C2)c1[N+](=O)[O-] 1558979332 XCYAYUQGYZBSPE-QMMMGPOBSA-N 310.314 -0.233 5 10 DBBE Cn1cc(C[C@@H](CO)CNC(=O)c2nn(C)cc2[N+](=O)[O-])cn1 1635265798 ORBZFXMCKFXOAI-SNVBAGLBSA-N 322.325 -0.357 5 10 DBBE Cc1cc([N+](=O)[O-])cn(CC2CN(S(C)(=O)=O)C2)c1=O 1641008069 HLCXMWIEXXGHRJ-UHFFFAOYSA-N 301.324 -0.044 5 10 DBBE Cc1nc[nH]c1CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1722088644 ORROWUVJUUZLPY-MWLCHTKSSA-N 321.337 -0.309 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(O)CSC2)cn1 2267767383 GZAYVJQBPVDSDE-UHFFFAOYSA-N 305.337 -0.254 5 10 DBBE C[C@@H](O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 51840047 RYEPGCIFGVZPAO-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOCCO 52925358 XALXTARSIXKLDR-UHFFFAOYSA-N 320.323 -0.109 5 10 DBBE C[C@@H](O)[C@@H](N)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 80749084 PHGCKYDDKDJFHU-MUWHJKNJSA-N 307.303 -0.280 5 10 DBBE COCCNC[C@@H](O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 123675108 FTNCLNBFXVSKKL-LLVKDONJSA-N 318.351 -0.035 5 10 DBBE C[C@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 132201121 DFXAYCJMKNFJMJ-QMMMGPOBSA-N 304.328 -0.762 5 10 DBBE Cc1nn(C[C@H](O)CNCCOC(N)=O)c(C)c1[N+](=O)[O-] 135203571 YVOGKSJIFRPRNU-SECBINFHSA-N 301.303 -0.546 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1c(NN)cccc1[N+](=O)[O-] 313712066 UQQKNDVUWFKLLL-IBGZPJMESA-N 322.368 -0.463 5 10 DBBE Cc1[nH]nc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-] 342390540 JGVZICPMFIAIMR-ZETCQYMHSA-N 317.327 -0.610 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN2CCOC[C@H]2C1 368282832 HFQVHRLKUQJBJY-GFCCVEGCSA-N 324.341 -0.483 5 10 DBBE CN(C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 532388282 FLQWXBMETKWGJT-UHFFFAOYSA-N 321.337 -0.164 5 10 DBBE CN(C)C(=O)COC1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 532398130 RLBYRPZQYLSGAP-UHFFFAOYSA-N 308.294 -0.081 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCO)CC2)nc1 593525363 CBYYCPHXEWCERQ-UHFFFAOYSA-N 316.339 -0.712 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O 599285981 CJVGQEKJHIMJCG-SSDOTTSWSA-N 317.327 -0.773 5 10 DBBE NS(=O)(=O)c1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1F 856442674 RGBDZTASEMKYTP-VXNVDRBHSA-N 317.298 -0.246 5 10 DBBE Cc1cccnc1CNCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1279712162 YECPSQJTYQIPAG-TZMCWYRMSA-N 322.365 -0.034 5 10 DBBE C[S@@](=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1292880900 NJXZLSPOMQZDKP-JOCHJYFZSA-N 324.322 -0.321 5 10 DBBE C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ncnn1C 1297473084 CCVNOCGBSDINLO-QMMMGPOBSA-N 306.282 -0.238 5 10 DBBE CCO[C@@H](CC)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331541239 KYLQIILOAFBZSJ-QMMMGPOBSA-N 320.327 -0.052 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C 1635870771 KFARICIWPAXDCG-GMSGAONNSA-N 312.282 -0.364 5 10 DBBE CNc1nccc(C(=O)N2CC(O)(C(=O)OC)C2)c1[N+](=O)[O-] 1644206786 SXTQRPBULHXEPR-UHFFFAOYSA-N 310.266 -0.609 5 10 DBBE Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ncn1 1705258197 GGQLBRCGAWBEHT-MWLCHTKSSA-N 319.321 -0.171 5 10 DBBE CCn1ccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1705263137 HRRJYNBUBHGWJZ-MWLCHTKSSA-N 321.337 -0.053 5 10 DBBE CCN(CCNCCS(C)(=O)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1732774515 GFLNFXHSRMFGTJ-NXEZZACHSA-N 307.372 -0.866 5 10 DBBE O=[N+]([O-])c1ccc(NS(=O)(=O)C2CS(=O)(=O)C2)c(O)c1 1917943009 OISMIYOVQXUJNZ-UHFFFAOYSA-N 322.320 -0.161 5 10 DBBE CCn1ncc([N+](=O)[O-])c1N[C@@H]1CNC[C@H]1S(C)(=O)=O 2240579631 RFLBNMUJMRWATG-VXNVDRBHSA-N 303.344 -0.392 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=N[C@@H]2C=CS(=O)(=O)C2)[nH]1 2286725817 FGZGSJCPXNDROM-SSDOTTSWSA-N 300.296 -0.324 5 10 DBBE COc1nccc(NCCCNS(N)(=O)=O)c1[N+](=O)[O-] 2288657940 WRDJYEDDBJBWKB-UHFFFAOYSA-N 305.316 -0.407 5 10 DBBE Cc1nn(C)c(N2CC[C@@H](NS(C)(=O)=O)C2)c1[N+](=O)[O-] 116873157 MFUFZRBJLXMDNZ-MRVPVSSYSA-N 303.344 -0.235 5 10 DBBE Nc1cc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)ccc1[N+](=O)[O-] 132648469 CALFTLLBJFUXDF-SSDOTTSWSA-N 314.323 -0.266 5 10 DBBE CCNc1ncc([N+](=O)[O-])c(NCCCS(N)(=O)=O)n1 233684698 XLTUUCOMEMBSIU-UHFFFAOYSA-N 304.332 -0.093 5 10 DBBE CN(CCCO)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 312324610 AKQWVRDLEMYACB-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE CN([C@H]1CCNC1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593571313 RLBKIDOKUQDXCP-QMMMGPOBSA-N 300.296 -0.501 5 10 DBBE COC(=O)[C@@H](CF)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594779769 RKZYYYNBIKOIAV-ZCFIWIBFSA-N 307.259 -0.221 5 10 DBBE CN(CCNc1nc(NN)ccc1[N+](=O)[O-])S(C)(=O)=O 692461703 IKKKQKQWZHOHLQ-UHFFFAOYSA-N 304.332 -0.421 5 10 DBBE C[C@@H](O)[C@@H](CO)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722217804 WIXUHRQKAQJLMW-HZGVNTEJSA-N 305.312 -0.803 5 10 DBBE NNc1sc(S(=O)(=O)N[C@@H]2CCNC2=O)cc1[N+](=O)[O-] 822123694 BEUYTBLSNQWKBL-SCSAIBSYSA-N 321.340 -0.891 5 10 DBBE O=C1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCCN1 849372448 AGZOSMRYPQTWNQ-UHFFFAOYSA-N 300.296 -0.500 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1269827390 GEVOPBPQYKUQNV-SNVBAGLBSA-N 317.327 -0.261 5 10 DBBE COc1ccnc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1293307238 OPTDVKLNQSTNGL-ZYHUDNBSSA-N 322.321 -0.009 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)n1 1328834728 QEVYZNXVGQRAAF-LUGKMBOVSA-N 320.352 -0.778 5 10 DBBE COC(=O)C1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 1330137859 ZRFDPLHSCVYAIF-UHFFFAOYSA-N 301.280 -0.026 5 10 DBBE CCN1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1=O 1335742205 ZROCPQYINWWDMX-SECBINFHSA-N 308.294 -0.507 5 10 DBBE CN(C(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 1499222012 WTJNNACKCPOZGW-GHMZBOCLSA-N 310.354 -0.489 5 10 DBBE Cc1cnn(C)c1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1575823227 WESKBEVIDCAQBK-NXEZZACHSA-N 309.326 -0.370 5 10 DBBE CCC[C@@H](O)[C@H](CO)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1642391233 ABTBACCDJKTQAR-GXSJLCMTSA-N 313.310 -0.605 5 10 DBBE CNC(=O)NC[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCO1 1655096806 ABYYHEBPCCHMAT-JTQLQIEISA-N 312.330 -0.542 5 10 DBBE CCCN(CCNC(=O)Cn1cncn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721219971 QSMYLHXASDTFPS-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@H]1Nc1cccc(N)c1[N+](=O)[O-] 2192655204 FCVAHORXJWZWBL-NXEZZACHSA-N 300.340 -0.026 5 10 DBBE CN(C(=O)[C@@H](N)CS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 2360553507 BNGBOKHCSMZZLY-JTQLQIEISA-N 301.324 -0.071 5 10 DBBE CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C(N)=O 50656749 GPLSCWZTQVUMIA-ZCFIWIBFSA-N 302.312 -0.211 5 10 DBBE COc1c([N+](=O)[O-])cc(C(=O)N(C)C)cc1S(N)(=O)=O 87893539 KNSPTSOUZPWTSS-UHFFFAOYSA-N 303.296 -0.047 5 10 DBBE CNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(NC)c1 131921040 SRNZJHOQUDDMOL-UHFFFAOYSA-N 302.312 -0.339 5 10 DBBE CNC(=O)[C@H]1CCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 160091918 BMQSAXVBUPDNLY-SNVBAGLBSA-N 310.314 -0.289 5 10 DBBE COc1ncnc(NCCS(=O)(=O)N(C)C)c1[N+](=O)[O-] 231010967 YLUGGLDOBHLMKF-UHFFFAOYSA-N 305.316 -0.303 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CNC(=O)C1 313598193 AORDNRLFMCFPRD-LURJTMIESA-N 300.296 -0.656 5 10 DBBE CC[C@@H](CO)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 357508896 IRJBXGINAKWGAF-JTQLQIEISA-N 323.353 -0.018 5 10 DBBE C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599293579 ZZNRTEDIBJMAIA-OIBJUYFYSA-N 320.327 -0.854 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C(=O)O)n1 600655117 ITPJVHVSZURWGL-LURJTMIESA-N 304.284 -0.434 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc([N+](=O)[O-])cn1 710804507 ZWKGNHMTMNOMDK-QWRGUYRKSA-N 301.324 -0.109 5 10 DBBE C[C@](O)(CO)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 801974710 CRSHSCNRZFCFJR-CYBMUJFWSA-N 312.278 -0.354 5 10 DBBE C[C@@H]1OCC[C@@]12CN(C(=O)Cn1cnc([N+](=O)[O-])n1)CCO2 1116874959 XENQIAMMZPDQPW-JOYOIKCWSA-N 311.298 -0.407 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](CO)[C@@H](O)C1 1154148173 SMYNYFZTOKOMLL-KGYLQXTDSA-N 310.306 -0.170 5 10 DBBE COC(=O)[C@@H]1C[C@H](O)CN(CCn2c([N+](=O)[O-])cnc2C)C1 1171741944 SYUAKSOUUXNDIA-MNOVXSKESA-N 312.326 -0.044 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N(CCS(C)(=O)=O)C2CC2)n1 1337166503 ORKUNUMVSUXJFM-UHFFFAOYSA-N 316.339 -0.023 5 10 DBBE CN1CCC(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1528110340 IAFPJVYPCYLKEZ-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE O=C(NC1CN(C(=O)CCCn2cccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1530430944 GZQOBJLITFAOOX-VXGBXAGGSA-N 321.337 -0.345 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]2[C@@H]1CCCN2CCO 1603335981 JPTGKOVIHYRAND-MNOVXSKESA-N 324.341 -0.756 5 10 DBBE O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCS(=O)(=O)C[C@H]1CCO 1646012068 VCZCOAQURWTRLT-MRVPVSSYSA-N 317.323 -0.456 5 10 DBBE CCNc1sc(S(=O)(=O)NCC(N)=O)cc1[N+](=O)[O-] 157551878 HPKUIOVHJQCZQE-UHFFFAOYSA-N 308.341 -0.148 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 158492752 QQFNPUGWBVDAHD-LJQANCHMSA-N 322.368 -0.463 5 10 DBBE NNc1ncc([N+](=O)[O-])c(NC[C@H]2CCCS2(=O)=O)n1 236287569 NVNDCCRZZGOKGQ-ZCFIWIBFSA-N 302.316 -0.341 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](N)C(=O)O 323390880 JGOVBMSTFLPPMW-MRVPVSSYSA-N 303.296 -0.407 5 10 DBBE O=C(NC1CC1)N[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 355135749 SGLPKPAGLCEPJJ-VIFPVBQESA-N 323.313 -0.751 5 10 DBBE CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599232861 OAFQWGCRPIPUQK-SSDOTTSWSA-N 317.327 -0.773 5 10 DBBE Cc1nc(N)nc(N2CC(NS(C)(=O)=O)C2)c1[N+](=O)[O-] 703121682 WCBKZAPPNWZLHV-UHFFFAOYSA-N 302.316 -0.987 5 10 DBBE Cn1cc([N+](=O)[O-])c(OCC[C@H]2CNCCS2(=O)=O)n1 725054099 CPYOXZXHIOLBOX-QMMMGPOBSA-N 304.328 -0.516 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(C[C@H]2CN(C3CC3)C(=O)O2)c1=O 845301995 JTUFQPGDMKICLR-VIFPVBQESA-N 322.277 -0.161 5 10 DBBE NC(=O)c1ccnc(N2C[C@@H]3CCCN3C[C@@H]2CO)c1[N+](=O)[O-] 1187525604 UCPUWUJNOJUVHX-VHSXEESVSA-N 321.337 -0.266 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnsn1 1358661034 AIBAMHSGAFUIGP-HTRCEHHLSA-N 311.323 -0.418 5 10 DBBE C[C@](CO)(NC(=O)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 1471125799 YGEQEMULUBMBAH-GFCCVEGCSA-N 316.335 -0.037 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1NCc1nn(C)cc1[N+](=O)[O-] 2159113263 PXUNAPLLOUNXJG-SCZZXKLOSA-N 304.328 -0.770 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1Nc1cc([N+](=O)[O-])cc(=N)[nH]1 2207464055 DZYFNOPWGASEDP-JGVFFNPUSA-N 302.312 -0.374 5 10 DBBE C[C@H](NS(=O)(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C(N)=O 2232783165 FQVNCCWIYLXCBV-BYPYZUCNSA-N 322.730 -0.018 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNCCCO 90740722 DYWGUFPSMVGYML-UHFFFAOYSA-N 303.340 -0.155 5 10 DBBE CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 132380823 FZDVIXXQDCYDJX-SSDOTTSWSA-N 316.339 -0.020 5 10 DBBE CCN1C(=O)[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)CCN2C1=O 364825854 CSQPNOBGZPGTBM-NSHDSACASA-N 322.325 -0.240 5 10 DBBE C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](C)CN1CCO 416301020 URDDMUNGQWRRAB-WDEREUQCSA-N 311.342 -0.295 5 10 DBBE C[C@@H]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CS1(=O)=O 598191139 HRTKQICNUXAHST-RKDXNWHRSA-N 316.339 -0.127 5 10 DBBE C[C@H](O)CN(C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599346427 IDXJBKMVQINNAJ-ZETCQYMHSA-N 304.328 -0.138 5 10 DBBE CN1CCOC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 599453478 RTEAXQULYBNZSG-SNVBAGLBSA-N 316.339 -0.401 5 10 DBBE CNc1sc(S(=O)(=O)N[C@@H]2CCNC2=O)cc1[N+](=O)[O-] 693960511 RTIUTRWRWNAIJN-RXMQYKEDSA-N 320.352 -0.135 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncnc(N)c1[N+](=O)[O-] 696993911 FVWHLAQBYSKYRM-WDSKDSINSA-N 303.300 -0.809 5 10 DBBE C[C@@H](O)[C@H](O)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 717415826 PNHDQWXFZOKPEI-HTRCEHHLSA-N 308.287 -0.246 5 10 DBBE CO[C@]1(CNc2nn(C)cc2[N+](=O)[O-])CCS(=O)(=O)C1 721220743 YHBUIMXZXHJMEO-JTQLQIEISA-N 304.328 -0.056 5 10 DBBE O=C(Cc1ccon1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357683851 WNJLBKPBGUQBAJ-COUIAZAYSA-N 308.294 -0.329 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(CC2CC2)nn1 1480863186 QKFDFWDDSYFKJI-CHWSQXEVSA-N 322.369 -0.099 5 10 DBBE Cn1cnnc1CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1481169506 SBNQUXAUBLLIEF-GHMZBOCLSA-N 308.342 -0.439 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccncn1 1535824853 MHOQOSDDOHUEKF-PSASIEDQSA-N 305.294 -0.480 5 10 DBBE COC[C@@]1(CO)CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 1635748507 UYECDVXASXVPIX-ZDUSSCGKSA-N 312.326 -0.043 5 10 DBBE CCOC(=O)C(=O)N1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 1651539285 MZBFJPZHRRKYGP-UHFFFAOYSA-N 311.298 -0.460 5 10 DBBE COC(=O)[C@]1(O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 1654620323 RMVMUPDKMIVHIW-ZDUSSCGKSA-N 311.294 -0.634 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2C2OCCO2)c1 1660412425 PRSHOLICVRMNCT-NWDGAFQWSA-N 312.326 -0.011 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1nccc1C 1745308358 MZIQJGGSDMTQCF-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1(CO)CNC1 1918432651 DRQKCFPPYSYRJX-UHFFFAOYSA-N 301.324 -0.484 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCS(=O)(=O)CCN1 2146654884 JKVWGUOGGXIEJD-UHFFFAOYSA-N 303.344 -0.665 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])cnc1Cl 2157545292 IQLWUTNZQBUQSX-UHFFFAOYSA-N 323.718 -0.834 5 10 DBBE NC(=O)[C@@H]1C[C@H](N)CN(c2ncnc(Cl)c2[N+](=O)[O-])C1 2162787037 JYIXPXVMABUBQG-RITPCOANSA-N 300.706 -0.323 5 10 DBBE NC(=O)NCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 2167850256 MUPQTEYWIBWOOL-UHFFFAOYSA-N 323.356 -0.425 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1Nc1ncc([N+](=O)[O-])c(=N)[nH]1 2207472799 YZXVRFZUMHSLMX-IYSWYEEDSA-N 303.300 -0.979 5 10 DBBE O=C(Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1NC[C@@H](O)[C@H]1O 2288521895 IKYLQVSQVVZNMU-BWZBUEFSSA-N 302.674 -0.725 5 10 DBBE Cc1nc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(Cl)cc1[N+](=O)[O-] 2357893436 UHOANJHVOQBGAO-BBBLOLIVSA-N 303.702 -0.146 5 10 DBBE N[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O 323571144 KHANHEBBZCUWGQ-SSDOTTSWSA-N 323.714 -0.062 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC(F)(F)C[C@H]1CO 366681502 RBHWWXMASRXYLF-VIFPVBQESA-N 317.248 -0.015 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1NC(=O)C[S@@](=O)C[C@@H](O)CO 526885898 OJLFPKWDKNLLTK-CWKPULSASA-N 316.335 -0.056 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](Nc2ncccn2)C1 577179269 UAVSUHRTISEAMU-SECBINFHSA-N 318.297 -0.311 5 10 DBBE CNC(=O)NC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1 600228747 DILITFKCWAXXMS-QMMMGPOBSA-N 312.282 -0.042 5 10 DBBE O=C1NC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]12 725374539 PDXBXFSWQALLMA-BDAKNGLRSA-N 311.319 -0.039 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCc1ncn(C)n1 1130155870 GUIOXNXHZCOEDB-UHFFFAOYSA-N 307.314 -0.023 5 10 DBBE Cn1c(C[N+](=O)[O-])nnc1N1CCN(c2cccnn2)CC1 1263614119 PJRBWXBBYNDNBE-UHFFFAOYSA-N 304.314 -0.292 5 10 DBBE O=C(Cc1cscn1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1284968838 NRWWZCZUYCDMLZ-GHMZBOCLSA-N 324.362 -0.075 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)C2=COCCC2)n1 1331718134 WHAPZSPRVIYLTH-UHFFFAOYSA-N 316.295 -0.173 5 10 DBBE Cc1ncncc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1358649358 CJQWWCRRKWXTMK-MWLCHTKSSA-N 319.321 -0.171 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCCN2CCO 1472259695 SUKOUAKDGAUYGL-GHMZBOCLSA-N 309.326 -0.011 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1C(=O)NCC12CCOCC2 1595539878 VLQRTFRXNWXMML-NSHDSACASA-N 323.309 -0.797 5 10 DBBE O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CNC(=O)C1 1626526566 IEEZDRNVVGPUOH-VIFPVBQESA-N 320.305 -0.423 5 10 DBBE Cc1nn(C)c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 1638137828 NZHSCLAJUYHBFB-ZETCQYMHSA-N 302.312 -0.446 5 10 DBBE CC(=O)N[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1656312427 HFKRXSLJDMLONB-LLVKDONJSA-N 322.321 -0.116 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cn[nH]c1 1691265559 LCVPLWVUAQKDOF-UHFFFAOYSA-N 307.314 -0.087 5 10 DBBE Cc1c[nH]nc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705261735 VTBPMXOMEQIGSI-RKDXNWHRSA-N 307.310 -0.238 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC(CO)C2)c([N+](=O)[O-])c1 2148958139 KUJWAAKLUQHDGM-UHFFFAOYSA-N 302.312 -0.507 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNCCOC2)cn1 2152194396 IPUZJOFCCRGFQG-QMMMGPOBSA-N 302.312 -0.744 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NC[C@@H]2COC[C@@H]2O)c1 2154107783 CDVHJGSIYGEOAS-XCBNKYQSSA-N 303.296 -0.725 5 10 DBBE COC(=O)[C@]1(N)C[C@H](N=c2[nH]c(Cl)ncc2[N+](=O)[O-])C1 2162369855 GSLIGEDLEAKDFO-WPSAZVEDSA-N 301.690 -0.095 5 10 DBBE COc1ncnc(N[C@@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1[N+](=O)[O-] 2174673330 QMSBKDHFSOUXLI-ZMONIFLSSA-N 300.296 -0.152 5 10 DBBE N[C@H](CO)CNS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235867080 SGNAILVULGEGDB-YFKPBYRVSA-N 311.266 -0.529 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=N[C@H]2CCS(=O)(=O)C2)[nH]1 2286727479 PNVKABCLHSUTOR-ZETCQYMHSA-N 302.312 -0.448 5 10 DBBE Cc1cc(=N[C@@H](CS(C)(=O)=O)C(=O)O)c([N+](=O)[O-])c[nH]1 2360619205 MDTXEOCWZFHJGT-QMMMGPOBSA-N 303.296 -0.370 5 10 DBBE CNc1ccc([N+](=O)[O-])c(C(=O)NCCS(N)(=O)=O)c1 50754309 IDIGMAZEJYDJHB-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1[N+](=O)[O-] 62099870 ADHGWHHPGCBXON-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2C=CS(=O)(=O)C2)c1 88856970 JAQFPEGYQLOUPD-WPRPVWTQSA-N 302.312 -0.948 5 10 DBBE Cn1ncnc1NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 127397637 QXFIIQPCXUGQQM-UHFFFAOYSA-N 319.328 -0.129 5 10 DBBE C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@](O)(C(N)=O)C1 276448842 MMLSNEHUEZDJEK-XPTSAGLGSA-N 322.321 -0.156 5 10 DBBE COCC[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593591585 XDFJSKAKWIKEIP-QMMMGPOBSA-N 305.312 -0.335 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCOCC(=O)OC)n1 600394839 NIVZDKYPZLJMPP-UHFFFAOYSA-N 300.271 -0.269 5 10 DBBE CS(=O)(=O)NC1CN(c2nc(Cl)ncc2[N+](=O)[O-])C1 703183390 JWGQMYWSLSHJSU-UHFFFAOYSA-N 307.719 -0.224 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2COCCO2)n1 858913533 ICBNLNQLXXAMPS-ZETCQYMHSA-N 306.300 -0.978 5 10 DBBE CCOC(=O)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 858915560 XHRKFKFCAUYOGZ-ZCFIWIBFSA-N 306.300 -0.442 5 10 DBBE Nc1cccc([N+](=O)[O-])c1C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1177693361 RRQWBIGMBWHYJP-MRVPVSSYSA-N 320.305 -0.500 5 10 DBBE C[C@@H](N)[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 1334933987 LCUOOLXRISZJNH-VXNVDRBHSA-N 319.343 -0.935 5 10 DBBE O=C1NCC[C@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]12 1558096013 FKXKBXFFFUNCBS-SKDRFNHKSA-N 307.310 -0.082 5 10 DBBE Cn1cnnc1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1565662547 LDPSQBWBZYDTFO-UHFFFAOYSA-N 306.282 -0.756 5 10 DBBE CCN(CCOCCO)C(=O)Cn1c([N+](=O)[O-])cnc1C 1633738413 NFTCZZWWMBZWAP-UHFFFAOYSA-N 300.315 -0.043 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1ncnc(F)c1[N+](=O)[O-] 2192658870 QZCGZVCXMWBYQR-RITPCOANSA-N 305.291 -0.679 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(N2CC(CS(N)(=O)=O)C2)[nH]1 2194426811 LRUUKPJXSAFAGP-UHFFFAOYSA-N 301.328 -0.822 5 10 DBBE CS(=O)(=O)c1ccc([C@@H](O)[C@@H](N)C(=O)O)c([N+](=O)[O-])c1 2354591552 OXAQSMAUJHDIQH-RKDXNWHRSA-N 304.280 -0.556 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@H](N)[C@H](C)O)cc1[N+](=O)[O-] 80748765 HRGJJJBZRCUWCE-WPRPVWTQSA-N 303.340 -0.110 5 10 DBBE C[C@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)O 131143720 DAPVXLFOYPQYOK-JTQLQIEISA-N 322.270 -0.152 5 10 DBBE CS(=O)(=O)[C@@H]1CSCCN1c1ncnc(N)c1[N+](=O)[O-] 157027664 XWBNEZFLSVRPIA-ZCFIWIBFSA-N 319.368 -0.109 5 10 DBBE CNc1ccc(C(=O)N2CC[C@](O)(C(N)=O)C2)cc1[N+](=O)[O-] 319351747 QTRBUBSDJYMMCT-CYBMUJFWSA-N 308.294 -0.301 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@@H](O)CC(F)(F)C2)c1 615823139 XBVYKKUAPHQGKG-UWVGGRQHSA-N 306.269 -0.146 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@H]2CCO)c1 762337525 HRKWVGOWYDTJSX-PWSUYJOCSA-N 300.315 -0.765 5 10 DBBE CON(C)C(=O)[C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 858305740 CHYYSUNXLICLNK-QMMMGPOBSA-N 314.302 -0.501 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(N3CC[C@H](O)C3)CC2)n1 1118738121 QYTVCCZLWXNAOG-NSHDSACASA-N 323.353 -0.001 5 10 DBBE CCn1nc(C)c(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1 1162733750 DEWNVMKBNCNVML-UHFFFAOYSA-N 320.309 -0.007 5 10 DBBE COC[C@@H](COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)OC 1327132739 CYLBQHGOXVXIJD-VIFPVBQESA-N 300.267 -0.039 5 10 DBBE CCn1ncc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1535254522 FBIRLHGFAMSEHB-PSASIEDQSA-N 322.325 -0.658 5 10 DBBE Nc1ncc(C(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 1626768215 FZHHAMUXHSVQEX-UHFFFAOYSA-N 300.296 -0.557 5 10 DBBE Cc1nn(C)c(C(=O)NC2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 1650707250 MOGUXGFWOYUKMJ-UHFFFAOYSA-N 316.339 -0.056 5 10 DBBE NNc1sc(S(=O)(=O)Nn2cnnc2)cc1[N+](=O)[O-] 2089398272 PIJJQBGUVFLWRI-UHFFFAOYSA-N 305.301 -0.534 5 10 DBBE CC(C)(C)c1ncc([N+](=O)[O-])c(=NCCS(N)(=O)=O)[nH]1 2286630512 FDWRBEGMRSOCIK-UHFFFAOYSA-N 303.344 -0.195 5 10 DBBE CNS(=O)(=O)CCN=c1ccn2ncc([N+](=O)[O-])c2[nH]1 2295897135 ZSKYJMYNSCSGFT-UHFFFAOYSA-N 300.300 -0.980 5 10 DBBE C[C@H](O)CNC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21 31845541 NLRYFSVPAISUBR-QMMMGPOBSA-N 309.278 -0.183 5 10 DBBE CNc1cccc(S(=O)(=O)NCCNC(N)=O)c1[N+](=O)[O-] 127057495 ZJXWEICNPFATAK-UHFFFAOYSA-N 317.327 -0.417 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOC[C@@H]2CO)ccc1O 168339496 NBQRSYFWGLUXFI-QMMMGPOBSA-N 318.307 -0.318 5 10 DBBE NC(=O)[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 228575722 BMLJAZYVHMLUPT-ZETCQYMHSA-N 323.714 -0.627 5 10 DBBE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 416301018 URDDMUNGQWRRAB-MNOVXSKESA-N 311.342 -0.295 5 10 DBBE C[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599105046 GKUOCHWOEPAZNQ-SFYZADRCSA-N 303.344 -0.395 5 10 DBBE CCOC(=O)CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599210701 WWHTUAZMPHWTCH-UHFFFAOYSA-N 320.327 -0.050 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1(CN)COC1 705641576 IQZRGDMPWMWDBE-UHFFFAOYSA-N 301.324 -0.091 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCS(C)(=O)=O 1136589448 LNUIMOYLLVXRMP-UHFFFAOYSA-N 304.328 -0.397 5 10 DBBE COC1(OC)CCOC[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] 1301157983 XKSXRAAIKWJCOA-SECBINFHSA-N 314.298 -0.164 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C(N)=O)CC1 1324276215 NQSIJSMAFHZBRE-UHFFFAOYSA-N 308.294 -0.249 5 10 DBBE CNC(=O)[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1351373692 IJVLDQMROUVPSD-SSDOTTSWSA-N 317.327 -0.915 5 10 DBBE Cc1nc[nH]c1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357813505 DGLHDIVYCNMSRA-HLKOZVMDSA-N 307.310 -0.214 5 10 DBBE Cn1ccc(=NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)nc1O 1585122876 OHQXPGQCXQEFAZ-UHFFFAOYSA-N 305.250 -0.677 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1F 1639793817 VJZGOQQHUAYTEV-MRVPVSSYSA-N 320.298 -0.131 5 10 DBBE CN(C)CC1(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1688680771 YZYNEBXKBPHTRB-VXGBXAGGSA-N 324.381 -0.432 5 10 DBBE CN(CCNC(=O)CCc1cncnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758955772 VSNHRWPLRCRCCZ-VXGBXAGGSA-N 321.337 -0.351 5 10 DBBE CN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)N1CC(N)C1 2159022316 CRLJDHBOYKVRBF-UHFFFAOYSA-N 300.340 -0.086 5 10 DBBE O=[N+]([O-])c1cnc(N2CC3(C2)OC[C@H](O)[C@H]3O)c(Cl)c1 2183718026 QNXXABTUUBLFRP-DTWKUNHWSA-N 301.686 -0.046 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@](C)(O)CO 90287634 LJAUJQHIRGBCLT-LLVKDONJSA-N 304.324 -0.075 5 10 DBBE CC(C)C[C@@H](NC(N)=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 122441716 RNOASNWIGODVII-SNVBAGLBSA-N 312.330 -0.010 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCNC1=O 594793125 VLXBQWVTTWWYSZ-QMMMGPOBSA-N 315.307 -0.230 5 10 DBBE CC(C)N(C[C@H](O)CO)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599330436 ZCAPPDBWQRQDIP-QMMMGPOBSA-N 322.343 -0.919 5 10 DBBE CN(C[C@H]1CCCS1(=O)=O)c1nc(N)ncc1[N+](=O)[O-] 693989134 DXJVMXHYFXNAOG-SSDOTTSWSA-N 301.328 -0.020 5 10 DBBE NNc1cccc(N2CC[C@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] 707218804 DIVXMRKMBSOIRT-ZETCQYMHSA-N 301.328 -0.252 5 10 DBBE C[C@H]1CS(=O)(=O)C[C@H]1Nc1nc(NN)ncc1[N+](=O)[O-] 712255454 UKFDYDZCCSICPG-NTSWFWBYSA-N 302.316 -0.485 5 10 DBBE NCCOCCS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 722203233 WKBLDGQTUOQYED-UHFFFAOYSA-N 303.340 -0.011 5 10 DBBE C[C@@H](O)[C@H](O)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 1301669688 FHYFZPSZMIIEIS-LDYMZIIASA-N 312.278 -0.356 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc(C)n(C)n1 1528844755 HUXIRFCNUPEEAM-ZYHUDNBSSA-N 323.353 -0.028 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@@H](CO)[C@@H](O)C1 1626172420 RJZXGCMTWPWAJH-UFBFGSQYSA-N 314.269 -0.076 5 10 DBBE CCNS(=O)(=O)[C@@H]1CCN(c2c([N+](=O)[O-])cnn2C)C1 1651695140 FDXRIVFJOXOLJX-MRVPVSSYSA-N 303.344 -0.154 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC[C@@]1(CO)COC[C@@H]2CCCN21 1652334010 ZIHKVCJXSQOZGC-GXFFZTMASA-N 311.342 -0.034 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1nc[nH]n1 1721209100 IAGNYZJOOCKONP-NXEZZACHSA-N 324.341 -0.633 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cnn(C)n1 1731963939 AGEBESWEEQXRQV-UHFFFAOYSA-N 322.329 -0.681 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cnc[nH]1 1746901140 WZBPMWOJTKCSSU-VXGBXAGGSA-N 323.353 -0.076 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccnc(O)c1 1759545620 GGNPKXVWGHTOPP-GHMZBOCLSA-N 322.321 -0.017 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccnnc1 1759557694 KXOXXQRQNPGJPR-GHMZBOCLSA-N 307.310 -0.328 5 10 DBBE C[S@](=O)(=NC(=O)c1cc([N+](=O)[O-])cnc1O)C1CNC1 1924601568 YSPNBCPQSBMMSA-HXUWFJFHSA-N 300.296 -0.095 5 10 DBBE Nc1sc(S(=O)(=O)N2CC[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] 2188622321 FIDKXPMJBDPHLT-RQJHMYQMSA-N 323.352 -0.645 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@H](CS(C)(=O)=O)C(=O)O)[nH]1 2360576200 SEJNXMMLZVDVBI-ZCFIWIBFSA-N 306.300 -0.857 5 10 DBBE CS(=O)(=O)C[C@@H](N=c1c(Cl)c[nH]cc1[N+](=O)[O-])C(=O)O 2360617561 KESOJXYBIFMLKU-ZCFIWIBFSA-N 323.714 -0.025 5 10 DBBE CNc1sc(S(=O)(=O)NCCC(N)=O)cc1[N+](=O)[O-] 157565314 SCYOTCWJSMSBDI-UHFFFAOYSA-N 308.341 -0.148 5 10 DBBE C[C@@H]1CS(=O)(=O)CCN1c1nc(NN)ccc1[N+](=O)[O-] 228888292 PXVIZEJAHIPZCS-SSDOTTSWSA-N 301.328 -0.101 5 10 DBBE CNc1ncc([N+](=O)[O-])cc1C(=O)NCCS(C)(=O)=O 234594790 HPWBOFLMTUDLQQ-UHFFFAOYSA-N 302.312 -0.194 5 10 DBBE COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 359082673 FTWLEPDSHZTZDQ-IUCAKERBSA-N 311.298 -0.014 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCOC[C@@H]1CNS(C)(=O)=O 599185573 SCIDPWXKJWYLIW-QMMMGPOBSA-N 319.343 -0.917 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CCCN3)C2)n1 858614642 PAGGWEIPQYOYCX-LLVKDONJSA-N 315.355 -0.155 5 10 DBBE CN(C)C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1135889300 BQCOEEFQOOTROD-UHFFFAOYSA-N 319.281 -0.612 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](N2CCCC2=O)C1 1320698547 SKROTPMYOMQHBA-SECBINFHSA-N 308.298 -0.590 5 10 DBBE Cc1nnsc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1349678135 KNAXDOFBXJEGKK-HTQZYQBOSA-N 313.339 -0.252 5 10 DBBE O=[N+]([O-])c1cnn(CCN2CCN(Cc3nc[nH]n3)CC2)c1 1460329538 RKLIEQZCRZRYIE-UHFFFAOYSA-N 306.330 -0.273 5 10 DBBE CNC(=O)C[C@@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 1556642125 AKTJPLSHZIIYTI-SECBINFHSA-N 322.321 -0.035 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@H](n2cncn2)C1 1567806399 CQHAXFGLUXJICZ-JTQLQIEISA-N 318.293 -0.178 5 10 DBBE C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CN(C)CCN1C 1628390587 VHIMNAGVPGRNHT-SKDRFNHKSA-N 322.369 -0.064 5 10 DBBE CN1C(=O)CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1=O 1639601871 VCSOWVTZNQODNZ-QMMMGPOBSA-N 322.277 -0.980 5 10 DBBE COCCC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1701943880 MCZQQWUWSZSWTL-VXGBXAGGSA-N 311.338 -0.037 5 10 DBBE Cc1nccn1CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1745983743 FSRJWRIBGNGTGV-VXGBXAGGSA-N 321.337 -0.569 5 10 DBBE CCc1noc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)n1 2156816497 LVUIJFKYKXGGGK-UHFFFAOYSA-N 302.272 -0.568 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@@H]2C[C@H](O)[C@@H](O)[C@@H]2O)c1[N+](=O)[O-] 2165119603 FREZHUITRLUNSD-IXROVEORSA-N 304.690 -0.965 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(O)(CO)C2)c(F)c1 2171959195 HSWMZXORDNODMW-UHFFFAOYSA-N 306.271 -0.538 5 10 DBBE CN(CCNS(C)(=O)=O)c1ccc([N+](=O)[O-])c(NN)c1 2234459110 KZBZCBSCVIYPGR-UHFFFAOYSA-N 303.344 -0.134 5 10 DBBE CNc1cc(S(=O)(=O)N[C@@H](C)C(N)=O)ccc1[N+](=O)[O-] 131949151 KAQGZLDBLZIQCT-LURJTMIESA-N 302.312 -0.211 5 10 DBBE C[C@@H](O)c1cc([N+](=O)[O-])c(N(CC(N)=O)CC(N)=O)s1 167508804 YVINLKAQKKQAJU-RXMQYKEDSA-N 302.312 -0.513 5 10 DBBE O=C(Nc1ccccc1[N+](=O)[O-])C(=O)N1CCN(CCO)CC1 170316905 WFFMKXHGTBHNAL-UHFFFAOYSA-N 322.321 -0.330 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NCC1CCN(CCO)CC1 179174734 QLYSUZVSCQOIFF-UHFFFAOYSA-N 311.342 -0.388 5 10 DBBE Cn1cc([C@H]2CNCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)cn1 181411596 JJWVZTASWYFQGK-LLVKDONJSA-N 319.325 -0.302 5 10 DBBE C[C@H]1C(=O)NCCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 191500689 VGJIDYALBKEYGA-VIFPVBQESA-N 310.314 -0.289 5 10 DBBE COc1ccc(C(=O)NCC(=O)N2CC(CO)C2)cc1[N+](=O)[O-] 274823438 XZSCVNJMQNWZTC-UHFFFAOYSA-N 323.305 -0.216 5 10 DBBE CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(CO)CO 313697617 RVIKZKCNXMXPMG-UHFFFAOYSA-N 304.324 -0.212 5 10 DBBE CN(Cc1cn(C)nn1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 594856703 PGVDIEHTCMUIKB-UHFFFAOYSA-N 312.311 -0.061 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC23CC(CN2)C3)n1 599103413 WNKVDMNBKHHBDP-UHFFFAOYSA-N 301.328 -0.641 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CN)C(C)(C)C)n1 599106404 GJNPTUVAEKFBJG-QMMMGPOBSA-N 305.360 -0.020 5 10 DBBE COC(=O)[C@H](CC(F)F)NC(=O)Cn1cnc([N+](=O)[O-])n1 1116409248 VQWRUDKVZZBUKN-YFKPBYRVSA-N 307.213 -0.501 5 10 DBBE CON1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1299508144 NCHNKYBTVWKFNM-UHFFFAOYSA-N 310.310 -0.102 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCn2cnnc2C1 1346698733 VKASISQNJGCRTH-UHFFFAOYSA-N 310.295 -0.214 5 10 DBBE CCN(CCNC(=O)c1c(C)cnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1356171925 JWCTWMNRQRBWGH-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1nncn1C1CC1 1585408588 LPSPAAQBNMGCAM-UHFFFAOYSA-N 318.293 -0.001 5 10 DBBE COCCN1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1=O 1633794176 OMUATUZIZNOMIC-UHFFFAOYSA-N 317.689 -0.140 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 1633951308 AGRCKPBXQQUJAM-SFYZADRCSA-N 314.323 -0.175 5 10 DBBE Cc1ccc(S(=O)(=O)NCC2(N)COC2)cc1[N+](=O)[O-] 2151410629 IODHVYPNLWTDDC-UHFFFAOYSA-N 301.324 -0.091 5 10 DBBE COC[C@@H](NC(=O)c1ccnc(Cl)c1[N+](=O)[O-])C(N)=O 2152375661 ZLFATIROVNWLPW-ZCFIWIBFSA-N 302.674 -0.127 5 10 DBBE CC1(CNc2ncnc(NN)c2[N+](=O)[O-])CS(=O)(=O)C1 2152849118 FWXJKRUJLSSMQW-UHFFFAOYSA-N 302.316 -0.483 5 10 DBBE C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(=O)O 2176841988 MRPHGILBNVHSJK-HZGVNTEJSA-N 304.280 -0.293 5 10 DBBE Cn1nc(Br)c(CN=c2nc([N+](=O)[O-])[nH]n2C)n1 2219794754 TVZMDWQOVVMGQP-UHFFFAOYSA-N 317.107 -0.352 5 10 DBBE CNS(=O)(=O)C1CN(c2ccc([N+](=O)[O-])c(NN)c2)C1 2234445554 ZYJWSXNQQAIULP-UHFFFAOYSA-N 301.328 -0.382 5 10 DBBE O=c1[nH]cc(S(=O)(=O)Nc2ncc([N+](=O)[O-])s2)c(=O)[nH]1 36716304 FNWVHMMMGAAJPD-UHFFFAOYSA-N 319.280 -0.771 5 10 DBBE O=C(O)[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 90364142 CBIMJBLUCCPYIR-SFYZADRCSA-N 317.279 -0.632 5 10 DBBE NC(=O)[C@@H]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 132050531 LOECKDLQNHVABB-NXEZZACHSA-N 322.321 -0.083 5 10 DBBE Cn1cc([C@H]2CNCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])cn1 181437921 ALQDWOVHZPDSAP-SECBINFHSA-N 305.298 -0.162 5 10 DBBE O=C(CN1CCc2ncc([N+](=O)[O-])cc2C1)N1CCNC1=O 347817408 OVWKLEQLBKAXGQ-UHFFFAOYSA-N 305.294 -0.100 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2[C@H]3CCNC[C@H]2CC3)n1 599109293 SCHGBVLKQAGURF-RKDXNWHRSA-N 315.355 -0.157 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](S(N)(=O)=O)C1 707434867 NHINNYIFXLBTDB-QMMMGPOBSA-N 302.312 -0.564 5 10 DBBE CCN(OC)C(=O)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 844071156 DXEYJVGVARTZEG-UHFFFAOYSA-N 312.282 -0.717 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cncnc1 1285528419 WPIYBKXEZHBEAH-COUIAZAYSA-N 305.294 -0.456 5 10 DBBE Cn1nccc1C(=O)NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1296558739 ZZQGLGQXZILTCV-ZYHUDNBSSA-N 321.337 -0.194 5 10 DBBE CCCCNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1490889803 YCUXYNHKBRIGPK-DDHJBXDOSA-N 312.370 -0.195 5 10 DBBE Cn1ccnc1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1637850330 SVCUAWDZNLHJOR-UHFFFAOYSA-N 305.294 -0.151 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@](O)(C(F)F)C1 1641044442 BOIZKVGDWBJBRX-LBPRGKRZSA-N 317.248 -0.015 5 10 DBBE C[C@H](O)[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCO1 1642542178 UXTOTEIGWAASBG-JOYOIKCWSA-N 311.294 -0.635 5 10 DBBE O=[N+]([O-])c1ncccc1CN1CCS(=O)(=O)C[C@H]1CCO 1655651585 SKKVHJVEBFRYLQ-LLVKDONJSA-N 315.351 -0.029 5 10 DBBE Nc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)c([N+](=O)[O-])c1 2149265568 BCXHJWGLFQGJMH-VXNVDRBHSA-N 305.287 -0.120 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNNCC2)c(F)c1 2152175671 NCJFZPXQUCQJRN-UHFFFAOYSA-N 304.303 -0.168 5 10 DBBE NC[C@@H]1COC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 2154118797 KYHNPCFMALVEEG-RKDXNWHRSA-N 301.324 -0.153 5 10 DBBE C[C@@](N)(CO)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2181129904 RDEUIVOQAMLZHB-NSHDSACASA-N 303.340 -0.276 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1NC(=O)c1cc([N+](=O)[O-])cs1 2192657880 OSJRDLJJHWSIJA-APPZFPTMSA-N 319.364 -0.229 5 10 DBBE COCCS(=O)(=O)CCN=c1cc(N)c([N+](=O)[O-])c[nH]1 2204667717 ANMXQJYVZZLYML-UHFFFAOYSA-N 304.328 -0.533 5 10 DBBE Cc1nn(C)c(N[C@@H]2COC[C@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2207480375 AEPQLNIXAPKAPP-HTQZYQBOSA-N 304.328 -0.139 5 10 DBBE CS(=O)(=O)N1CC[C@@H](CN=c2[nH]cncc2[N+](=O)[O-])C1 2235291212 POBYIURWOZLSII-QMMMGPOBSA-N 301.328 -0.500 5 10 DBBE NC(=O)[C@@H]1CNCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 88664917 PTIMGEOOGZAPHD-JTQLQIEISA-N 314.323 -0.957 5 10 DBBE O=C(NC1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C1CC1 187978119 XZEFEZMIYNBPJY-GFCCVEGCSA-N 309.326 -0.637 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN2CCOC[C@@H]2C1 368282833 HFQVHRLKUQJBJY-LBPRGKRZSA-N 324.341 -0.483 5 10 DBBE CN1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1=O 594753237 PPUTVBZAOPEPKX-SSDOTTSWSA-N 300.296 -0.501 5 10 DBBE COC[C@]1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 599692661 LGLPCMUXQCHFOT-OLZOCXBDSA-N 314.342 -0.111 5 10 DBBE CS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c([N+](=O)[O-])c1 610588299 WKFQAYPRKOUDDH-DTORHVGOSA-N 316.335 -0.070 5 10 DBBE O=C(O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CNC1 725375393 YUBWSGDREXYZIV-UHFFFAOYSA-N 301.280 -0.700 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@H](CO)[C@H](O)C1 1138191112 VIOOOZMFSIXLBU-PHDIDXHHSA-N 304.690 -0.213 5 10 DBBE CC(C)(C(=O)N1CC[C@@H](O)[C@H](CO)C1)n1cc([N+](=O)[O-])cn1 1142379578 UXERVKCDHRWJAH-GXSJLCMTSA-N 312.326 -0.272 5 10 DBBE O=C(CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CC1 1263832473 RSKDYEHODJKBMJ-YVECIDJPSA-N 324.381 -0.338 5 10 DBBE CCN(C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)S(C)(=O)=O 1293236661 PKAIQVCSGIIQEV-GHMZBOCLSA-N 319.383 -0.076 5 10 DBBE O=C1CC2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)n2ccnc2N1 1304555111 PQBWMRPUCORJSG-UHFFFAOYSA-N 317.265 -0.292 5 10 DBBE C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)S1(=O)=O 1324025678 UECAXDOMKPUAQJ-YUMQZZPRSA-N 316.339 -0.024 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1n[nH]cc1F 1492350086 ZJUBTNJVNQBZQQ-VXNVDRBHSA-N 313.289 -0.208 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 1632871737 KSNIURGGXDJNBO-KOLCDFICSA-N 323.309 -0.552 5 10 DBBE Cc1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 1736912597 JBOZNSODDKLMFG-MWLCHTKSSA-N 307.310 -0.314 5 10 DBBE CN=c1nc(N2CCS(=O)(=O)CCO2)c([N+](=O)[O-])c[nH]1 2146461188 UWOKQSOXONUOHX-UHFFFAOYSA-N 303.300 -0.985 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 2207471500 QPUWAAORVABDFC-APPZFPTMSA-N 302.312 -0.204 5 10 DBBE NNc1ncnc(NCCS(=O)(=O)C(F)F)c1[N+](=O)[O-] 2232507110 VHBIWOYOFYQJOA-UHFFFAOYSA-N 312.258 -0.280 5 10 DBBE NS(=O)(=O)c1cn(C[C@H](F)[C@@H]2CCOC2)nc1[N+](=O)[O-] 2238307004 OVHKAQRBNKMHJL-RQJHMYQMSA-N 308.291 -0.187 5 10 DBBE CNS(=O)(=O)c1ccc(SC[C@H](O)CO)c([N+](=O)[O-])c1 93958209 VXJMWJQYMHKCSQ-SSDOTTSWSA-N 322.364 -0.052 5 10 DBBE CS(=O)(=O)N1CC[C@H](N=c2ccc([N+](=O)[O-])c(N)[nH]2)C1 400176399 NKZIGDUJAVFHJN-ZETCQYMHSA-N 301.328 -0.560 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@@H](O)C[C@H]2CO)c1 698136191 FNVDZJMIIPRTCX-IUCAKERBSA-N 303.296 -0.894 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@H]2CNC[C@H]2O)cc1[N+](=O)[O-] 699963831 XLGSQYMIRDXRFT-GXSJLCMTSA-N 301.324 -0.486 5 10 DBBE CS(=O)(=O)c1ccc(N[C@H]2CNC[C@@H]2O)c([N+](=O)[O-])c1 704182133 UYIBWRZBROUGNU-ONGXEEELSA-N 301.324 -0.257 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ncccn1 1285544436 LIFKYIQZXMOKKV-UFLMBTITSA-N 305.294 -0.456 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1527675192 LFLTXNOHWITXDF-NXEZZACHSA-N 323.309 -0.784 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](CO)[C@@H]1CCOC1 1624226468 RKXAFWGHNJZONT-MWLCHTKSSA-N 311.294 -0.730 5 10 DBBE CN(C)CCC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1726230887 POZVADMCCIZLGG-DDHJBXDOSA-N 312.370 -0.386 5 10 DBBE Cc1c(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C 1737098943 DGAHFNVMBMNCLG-ZYHUDNBSSA-N 323.353 -0.028 5 10 DBBE NS(=O)(=O)CC1CN(c2nc(Cl)ncc2[N+](=O)[O-])C1 1880185822 APMCUEUAVFKOGG-UHFFFAOYSA-N 307.719 -0.237 5 10 DBBE Cc1[nH]c(=N)nc(N2CC(NC(=O)C(F)(F)F)C2)c1[N+](=O)[O-] 1981948710 XRCLBADDHTYLMH-UHFFFAOYSA-N 320.231 -0.027 5 10 DBBE N[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2149988253 MYSJUGIIBZIVHK-IUCAKERBSA-N 305.287 -0.262 5 10 DBBE CN=c1nc(N=[S@@](C)(=O)[C@H]2CCNC2)c([N+](=O)[O-])c[nH]1 2173952869 ZFSHPTBEWIJBCB-JKNYTWMOSA-N 300.344 -0.060 5 10 DBBE NNc1cc(NCCCNS(N)(=O)=O)ccc1[N+](=O)[O-] 2234457474 QTAWBPSNAAAGDH-UHFFFAOYSA-N 304.332 -0.525 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCOC[C@H]2CO)c([N+](=O)[O-])c1 168912083 BTROUURUKQTXPX-SECBINFHSA-N 317.323 -0.441 5 10 DBBE COCCN1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 299249431 RFEMRENLFFKMFJ-UHFFFAOYSA-N 311.342 -0.028 5 10 DBBE COc1ccc(S(=O)(=O)N2C[C@H](O)CO2)c([N+](=O)[O-])c1 312687016 AUBJNUAOVATBNU-ZETCQYMHSA-N 304.280 -0.100 5 10 DBBE CC[C@H](CO)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 357508899 IRJBXGINAKWGAF-SNVBAGLBSA-N 323.353 -0.018 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](Cn3ccnn3)C2)c1 595609644 ZPJQNFGPNZCLDB-WCQYABFASA-N 321.341 -0.234 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3(CCCO3)C2)n1 599417346 VJSURGALUIOUCJ-UHFFFAOYSA-N 302.312 -0.118 5 10 DBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(NS(C)(=O)=O)C1 600347480 RFNLQRRZWCSJHD-UHFFFAOYSA-N 314.323 -0.328 5 10 DBBE C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](O)CO 698920492 REBPHKGUNYTGLH-KCJUWKMLSA-N 304.324 -0.244 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CNC[C@H]2O)ccc1Cl 699965924 CGKOZGUPTOZDTP-WCBMZHEXSA-N 321.742 -0.141 5 10 DBBE CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@](O)(C(N)=O)C1 784470460 KYIWWIFNRLRGKL-ZDUSSCGKSA-N 308.294 -0.619 5 10 DBBE C[C@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)O1 859160604 QQXZOKHNIQHWCD-WDSKDSINSA-N 304.284 -0.689 5 10 DBBE CONC(=O)CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 1134415241 XSFCKPSGOWGMRP-UHFFFAOYSA-N 313.266 -0.224 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](O)[C@@H](CO)C1 1162035883 NSBRPAYZZVDONY-MNOVXSKESA-N 312.326 -0.308 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)Cc1nc[nH]n1 1267454654 HGKYWKCYPJCZRI-UHFFFAOYSA-N 322.329 -0.763 5 10 DBBE CCN([C@H]1CCNC1=O)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331349371 DNWWLAGHVSMUGW-ZETCQYMHSA-N 317.327 -0.773 5 10 DBBE CCn1cc(CC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1348934666 RJJUFYJYVNRMES-GHMZBOCLSA-N 309.326 -0.657 5 10 DBBE CNC(=O)[C@@H](CO)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C 1458308223 UVHRLDLIMMLVGU-SCSAIBSYSA-N 311.220 -0.134 5 10 DBBE O=C(Cn1nc([N+](=O)[O-])nc1Br)N1CCNC1=O 1473076155 IKHBRSCFBMPPNF-UHFFFAOYSA-N 319.075 -0.499 5 10 DBBE CN(C)S(=O)(=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1558392652 NXEIECNGTWVQJP-UHFFFAOYSA-N 317.327 -0.528 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC(C)(C)O 1577034609 CJEWSBVPNHPNMX-NXEZZACHSA-N 301.343 -0.223 5 10 DBBE COC(=O)[C@@]1(O)CCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)C1 1650954600 JKRLPEXLVNMAOA-GFCCVEGCSA-N 312.282 -0.764 5 10 DBBE O=C(NCC(O)(CO)CO)c1cc(Cl)ncc1[N+](=O)[O-] 1913800756 QCTHWDZJMZOTFU-UHFFFAOYSA-N 305.674 -0.911 5 10 DBBE Cc1nc(CO[C@@H]2CS(=O)(=O)C[C@H]2N)ccc1[N+](=O)[O-] 2177961298 FICJBYKVXBGXTQ-MWLCHTKSSA-N 301.324 -0.061 5 10 DBBE N[C@H](CS(=O)(=O)Nc1ccnc(Cl)c1[N+](=O)[O-])C(=O)O 2286008728 SMNCXCBXVGVTJT-SCSAIBSYSA-N 324.702 -0.203 5 10 DBBE Nc1sc(S(=O)(=O)N2CC[C@@H]2[C@H](O)CO)cc1[N+](=O)[O-] 2286224889 IPABGYVTJZHYBB-IYSWYEEDSA-N 323.352 -0.645 5 10 DBBE [O-][N+]1(CCOCCOCC[N+]2([O-])CCOCC2)CCOCC1 39793114 VYESWLZUPHOZSM-UHFFFAOYSA-N 320.386 -0.291 5 10 DBBE CN1CCN(NS(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)CC1 150109742 JRPMCODTMPEJPK-UHFFFAOYSA-N 315.355 -0.382 5 10 DBBE Nc1sc(S(=O)(=O)N2CCO[C@@H](CO)C2)cc1[N+](=O)[O-] 167880191 BUYWERZZQKGRSI-ZCFIWIBFSA-N 323.352 -0.380 5 10 DBBE CC(C)C[C@@H](CN)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599098722 YVHNEQHOPSEEAN-QMMMGPOBSA-N 305.360 -0.020 5 10 DBBE CNS(=O)(=O)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] 600666597 YJAVYRONPLJULK-UHFFFAOYSA-N 317.323 -0.031 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H](O)C[C@H]1CO 698139051 NPLBPRZKCPYVAW-DTWKUNHWSA-N 302.308 -0.289 5 10 DBBE CN(CCCNC(=O)Cc1cnoc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1283631547 PBMRWSHZLKIYNJ-GHMZBOCLSA-N 310.310 -0.153 5 10 DBBE CNS(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 1307132744 XKJGRTODYTUJJG-UHFFFAOYSA-N 316.343 -0.721 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCS2(=O)=O)n1 1525763847 ULXCPGMCXADLGJ-ZETCQYMHSA-N 302.312 -0.365 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)n1 1577540662 WXNMBLFUEFGPRK-MWLCHTKSSA-N 324.341 -0.551 5 10 DBBE Cc1[nH]nc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)c1[N+](=O)[O-] 1588101892 RCZDIJJQTYXFON-LDYMZIIASA-N 323.309 -0.254 5 10 DBBE O=C(N[C@@H]1COC[C@H]1O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1635634364 OEXYBTPGTWJEHY-NXEZZACHSA-N 319.277 -0.335 5 10 DBBE CC(C)N(C)C(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1690513468 UVIQYRIQNFLPKL-DIACKHNESA-N 324.381 -0.435 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)c1 1720480467 PLVKQGCLAJGHQV-GHMZBOCLSA-N 309.326 -0.336 5 10 DBBE COc1cccc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1737772939 XXRWPSNBFGSLJQ-MWLCHTKSSA-N 322.321 -0.056 5 10 DBBE CN1CCC(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 1759889558 GSYCGWLLUWUCMP-VXGBXAGGSA-N 324.381 -0.242 5 10 DBBE CN(OCC(=O)O)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2145974350 UOSNFZBZGRFEIP-UHFFFAOYSA-N 305.268 -0.305 5 10 DBBE Cc1[nH]c(=NCC(=O)NCC(=O)O)c(Cl)cc1[N+](=O)[O-] 2146637819 IBUXWKXVMHVMIN-UHFFFAOYSA-N 302.674 -0.014 5 10 DBBE COC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CNC1 2157881712 GMHHKWDAPKWUJS-UHFFFAOYSA-N 302.312 -0.744 5 10 DBBE CS(=O)(=O)N1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 2165863734 HKDXMJKNCUJYCH-UHFFFAOYSA-N 301.328 -0.346 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@@H](CO)[C@@H](F)C2)c1 2177138193 KSLUYDUYMUZAOZ-XVKPBYJWSA-N 305.287 -0.059 5 10 DBBE Cc1c([N+](=O)[O-])ccnc1CO[C@@H]1CS(=O)(=O)C[C@H]1N 2177957727 BKRDVRXHNZNYMD-LDYMZIIASA-N 301.324 -0.061 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@]1(CO)CCNC1 2190274528 XQAWXJAHSSFKEX-NSHDSACASA-N 301.324 -0.403 5 10 DBBE CS(=O)(=O)C1CC(CN=c2[nH]cnc(N)c2[N+](=O)[O-])C1 2192329894 FCVGSFGKEUAJEO-UHFFFAOYSA-N 301.328 -0.376 5 10 DBBE O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1NC[C@@H](O)[C@@H]1O 2201147599 BJZARKIKZFYIBG-QNSHHTMESA-N 301.686 -0.120 5 10 DBBE O=[N+]([O-])c1c(N2CC[C@@](O)(CO)[C@H](O)C2)ccnc1Cl 2234099997 IBEHHGCWPSQITD-LDYMZIIASA-N 303.702 -0.062 5 10 DBBE CN(CCO)C(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21 31846757 CYXSZHIFFMNFHV-UHFFFAOYSA-N 309.278 -0.229 5 10 DBBE C[C@H](O)[C@H](N)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 80737543 DRKHOUVZXXBNGK-GZMMTYOYSA-N 303.340 -0.278 5 10 DBBE CNc1ncnc(N2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] 96466057 ZJBJPYUVYBFBBI-UHFFFAOYSA-N 316.343 -0.492 5 10 DBBE Cn1nnc(NS(=O)(=O)c2cc(NN)ccc2[N+](=O)[O-])n1 127392026 WOLZHUPWZOXQIT-UHFFFAOYSA-N 314.287 -0.795 5 10 DBBE NNc1ccc(S(=O)(=O)NCCOC(N)=O)c([N+](=O)[O-])c1 135246693 IGRULEXNKHVKMJ-UHFFFAOYSA-N 319.299 -0.746 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])cnc1Cl 235020471 YSYJQFBCNHXHPQ-UHFFFAOYSA-N 322.730 -0.078 5 10 DBBE CNC[C@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])nc1 708893398 UICMIDAXQNAXOG-QMMMGPOBSA-N 304.328 -0.809 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1C[C@H]1C1CC1 1117564075 CUFUVLFMNTUKDW-WDEREUQCSA-N 307.310 -0.178 5 10 DBBE CONC(=O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 1134634761 KRDRSCAMVVAJPH-UHFFFAOYSA-N 307.266 -0.262 5 10 DBBE CN1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1 1137826569 JPYMOPKQFMMEHC-ZETCQYMHSA-N 308.250 -0.602 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H](CO)[C@H]1CCOC1 1295796319 AVVPBBSSMDISCM-UWVGGRQHSA-N 311.294 -0.730 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1ccncn1 1317638503 CCICEXORSLOQRE-UHFFFAOYSA-N 319.325 -0.020 5 10 DBBE COC(=O)Cn1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cn1 1319896136 NAMDXEDKJXMMIG-UHFFFAOYSA-N 308.254 -0.050 5 10 DBBE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1329314039 DWUSFIGPTQHGAR-VIFPVBQESA-N 320.305 -0.142 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN2CCCCC2)n1 1449352628 BULAVYIPUSISDD-JTQLQIEISA-N 311.342 -0.095 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]2C1=O 1624457021 RZNIWZGYLJIJAX-DTORHVGOSA-N 304.262 -0.323 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCC[C@@H]1CCCS1(=O)=O 1625210961 KQCYARBUZPOTAV-QMMMGPOBSA-N 317.327 -0.730 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 1636871435 QIFZHXYNWRVTNH-VIFPVBQESA-N 307.372 -0.028 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN(C(=O)C2CC2)C1 1643058736 YUGZRDWKGAMLNQ-UHFFFAOYSA-N 320.305 -0.205 5 10 DBBE N=C(N)NCCC[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1N 1866118981 GOWCGWVUHRGDTB-MRVPVSSYSA-N 309.330 -0.294 5 10 DBBE N[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2149988370 NQQNDUNUTKXSGV-RKDXNWHRSA-N 305.287 -0.262 5 10 DBBE CS(=O)(=O)[C@H]1C[C@@H](CN=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])C1 2192331906 XFZXZBWFFBEETP-KNVOCYPGSA-N 301.328 -0.546 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC2(CO)CO)cc1 2194357453 UIKGNACFNVCTHM-UHFFFAOYSA-N 302.308 -0.287 5 10 DBBE O=C(O)[C@H](Nc1ncc([N+](=O)[O-])cn1)C1CS(=O)(=O)C1 2197524386 IVJUSDMKNAVDHP-SSDOTTSWSA-N 302.268 -0.706 5 10 DBBE CNc1cc(C(=O)NCCNS(C)(=O)=O)ccc1[N+](=O)[O-] 54414779 BCLZVTYNNGXVHB-UHFFFAOYSA-N 316.339 -0.085 5 10 DBBE Nc1ccc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)c([N+](=O)[O-])c1 79937874 MZIBXQSKFHJMCQ-QMMMGPOBSA-N 314.323 -0.266 5 10 DBBE O=C(O)[C@@]1(NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCOC1 85855150 MFIXKWNVFQMEAT-SNVBAGLBSA-N 317.279 -0.488 5 10 DBBE C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 136168020 IFDYESAEZMDTEE-LURJTMIESA-N 317.327 -0.577 5 10 DBBE O=C(NC1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C1CC1 187978143 XZEFEZMIYNBPJY-LBPRGKRZSA-N 309.326 -0.637 5 10 DBBE CC[C@@H](CO)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 266182807 CVKUZNWXPLYWHZ-JTQLQIEISA-N 323.353 -0.018 5 10 DBBE C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 362907855 CBBPQTVKJQSFAY-MRVPVSSYSA-N 312.330 -0.052 5 10 DBBE O=C(C[S@@](=O)C[C@@H](O)CO)Nc1cccc([N+](=O)[O-])c1 526883484 CJISODXOJZEHQT-FVINQWEUSA-N 302.308 -0.365 5 10 DBBE C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593565449 IFKKGDWELCCKAO-WCBMZHEXSA-N 317.323 -0.240 5 10 DBBE C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)NCCF 594778193 BXWHEJXLNSDRGO-SSDOTTSWSA-N 320.302 -0.258 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595282925 SNILDTRERHQDMK-NOZJJQNGSA-N 324.293 -0.259 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3COC[C@@]3(C)C2)n1 599347889 WADYBDKMZWPSJY-GZMMTYOYSA-N 316.339 -0.015 5 10 DBBE COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cn1 761980705 CFZRSCQTHJTSQV-SSDOTTSWSA-N 311.250 -0.176 5 10 DBBE CNS(=O)(=O)CCCOC(=O)c1c([N+](=O)[O-])c(C)nn1C 777071268 CWHFEIJPKBVXGR-UHFFFAOYSA-N 320.327 -0.267 5 10 DBBE C[C@@]1(CO)C[C@H](O)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1453747463 NNLRDPIFABHBOY-GWCFXTLKSA-N 311.294 -0.899 5 10 DBBE CCN(CCCNC(=O)Cn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1523837729 UVBHNDSDMHCRLQ-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE O=C1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C2(CN1)COC2 1611140176 BLOCOZHQPQGYAW-UHFFFAOYSA-N 321.289 -0.299 5 10 DBBE Cc1nn(C)c(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)c1[N+](=O)[O-] 1649065445 QXPMDVOATCXQOY-SVRRBLITSA-N 316.339 -0.200 5 10 DBBE Cc1c[nH]nc1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737130804 LCVANQUWQNSPTB-NXEZZACHSA-N 309.326 -0.038 5 10 DBBE CN(CCOCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc[nH]1 1738666920 JXOLDUZQVYNARF-ZYHUDNBSSA-N 324.337 -0.115 5 10 DBBE O=[N+]([O-])c1sc(CO)cc1N1CCOC[C@H]1[C@@H](O)CO 2146323345 KPXFCDHWNCDMFV-UWVGGRQHSA-N 304.324 -0.293 5 10 DBBE O=Cc1cc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c([N+](=O)[O-])s1 2183626338 HDELWBAZPLFZRW-RKDXNWHRSA-N 300.292 -0.220 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N=[S@@](C)(=O)[C@@H]2CCNC2)n1 2186532804 RWUIQTKASPXZSU-GLEHDBDLSA-N 301.328 -0.072 5 10 DBBE NS(=O)(=O)c1cn(C[C@H]2C[C@@]23CCOC3)nc1[N+](=O)[O-] 2198343335 YUJAXDAMDHHTSU-GMSGAONNSA-N 302.312 -0.135 5 10 DBBE Cn1cc(S(N)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])o2)n1 40381972 IAABDBIPGPTNGL-UHFFFAOYSA-N 315.267 -0.179 5 10 DBBE COCCN(CC(=O)O)C(=O)CCn1cnc([N+](=O)[O-])c1 49606594 NVTCYGZWIYDINZ-UHFFFAOYSA-N 300.271 -0.259 5 10 DBBE CC(C)CNC[C@H](O)Cn1c(=O)c([N+](=O)[O-])cn(C)c1=O 123527269 QURHOOLJUTUSNG-VIFPVBQESA-N 300.315 -0.938 5 10 DBBE CS(=O)(=O)N1CCN(c2cccc(NN)c2[N+](=O)[O-])CC1 160143012 KOVGSXIISZWDPN-UHFFFAOYSA-N 315.355 -0.038 5 10 DBBE CN(C)C(=O)CN1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 365825698 PZZBVEMPCFAPNA-UHFFFAOYSA-N 324.385 -0.113 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCCN1CCO 452389791 MSUWABPIPNTCFG-NSHDSACASA-N 311.342 -0.246 5 10 DBBE COCCN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1=O 588010585 FGSODZDLIBPSKT-UHFFFAOYSA-N 324.337 -0.036 5 10 DBBE CO[C@@](C)(CO)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 594231410 WTSAUNJXTXBNOC-LLVKDONJSA-N 301.303 -0.512 5 10 DBBE CN1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1=O 598611056 QIGWNVXPVAMHPO-UHFFFAOYSA-N 308.298 -0.543 5 10 DBBE COCCOCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599222668 DFYCQGUOTRFZDS-UHFFFAOYSA-N 308.316 -0.730 5 10 DBBE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CNC[C@H]2O)c1 699963182 RMVUNYVWTNDGNU-DTWKUNHWSA-N 321.742 -0.141 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCc2cc(=O)c(O)cn2C)n1 1163755090 ZAFUOBKPEYXYCC-UHFFFAOYSA-N 307.266 -0.337 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](O)(CN(C)C)C2)n1 1175128843 QBTRGNBLSZAWDA-CYBMUJFWSA-N 311.342 -0.050 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@](O)(CN(C)C)C2)n1 1175128846 QBTRGNBLSZAWDA-ZDUSSCGKSA-N 311.342 -0.050 5 10 DBBE CCCN(C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1299160409 OQVRQJJEXCXBDS-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE CCC1(CC)CNC(=O)[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 1652650049 QOCZKZDHQDVUGK-VIFPVBQESA-N 310.314 -0.393 5 10 DBBE C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1CS(N)(=O)=O 1660398863 LKUUDBNFVOUSMI-ZJUUUORDSA-N 317.371 -0.352 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccnnc1 1689582778 JHQXSXVVNFLSKR-NXEZZACHSA-N 305.294 -0.480 5 10 DBBE O=C(CCc1cnccn1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758172298 YBPIKXGLGCOIOM-VXGBXAGGSA-N 321.337 -0.303 5 10 DBBE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC([N+](=O)[O-])C1 1900101407 AOKLASUEOVZJLO-VIFPVBQESA-N 303.315 -0.250 5 10 DBBE NS(=O)(=O)C[C@H]1CCN(c2ncnc(F)c2[N+](=O)[O-])C1 2144391390 CQZJERBAVPSFPK-LURJTMIESA-N 305.291 -0.361 5 10 DBBE O=C(O)C1(n2cc([N+](=O)[O-])cn2)CC2(C1)CS(=O)(=O)C2 2152033792 UYTBSIQEIQHPGS-UHFFFAOYSA-N 301.280 -0.220 5 10 DBBE C[C@@H](CS(N)(=O)=O)Nc1ncc([N+](=O)[O-])cc1C(=O)O 2152936735 CBLXVYWPBGLZGJ-YFKPBYRVSA-N 304.284 -0.223 5 10 DBBE N[C@H]1C[C@H](O)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 2168117100 NBGBJSDCZFHSPB-IUCAKERBSA-N 301.324 -0.323 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N[C@@]1(C(=O)O)CCS(=O)(=O)C1 2172200523 YIWFZJFGBRGHCO-VIFPVBQESA-N 304.284 -0.618 5 10 DBBE Nc1ccc([N+](=O)[O-])c(N2C[C@H](O)[C@H](O)[C@@H]2CO)c1Cl 2201053811 KRFGWFMNWCQNFV-DKCNOQQISA-N 303.702 -0.267 5 10 DBBE CO[C@H](CN)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 2365474172 KSYOIHHYHNBVBW-MRVPVSSYSA-N 307.303 -0.014 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N[C@]1(C(=O)O)CCSC1 43510630 YWCVCNUGYSGCLR-SNVBAGLBSA-N 300.296 -0.132 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N)c1nn[nH]n1 50672571 RKGVYBBYBITILA-YFKPBYRVSA-N 313.299 -0.270 5 10 DBBE C[C@]1(C(N)=O)CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 185886702 FKKHZDKTNBZTCP-WCQYABFASA-N 311.342 -0.118 5 10 DBBE CCS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 845853428 OBGNDVVVXZFCKI-UHFFFAOYSA-N 323.352 -0.297 5 10 DBBE C[C@@H](C[S@](C)=O)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1138185316 FNQHAAXAILLHNN-FHZGZLOMSA-N 301.324 -0.360 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(Cc2cn[nH]c2)CC1 1162353378 NXFXZIVHZIBCAF-UHFFFAOYSA-N 305.298 -0.001 5 10 DBBE CS(=O)(=O)C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCO1 1179413844 LEQFKDNSPOEOKP-ZETCQYMHSA-N 318.311 -0.797 5 10 DBBE C[C@H](COC(=O)Cn1cnc([N+](=O)[O-])n1)CS(C)(=O)=O 1319255604 XSIMAGJLWYKASU-SSDOTTSWSA-N 306.300 -0.590 5 10 DBBE CO[C@@H](COC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCOC1 1327441637 LIRYGRSBCIAWPA-IUCAKERBSA-N 300.271 -0.219 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(CCO)[C@@H](C)C1 1633547043 LJYMMQPBTNIQQP-JTQLQIEISA-N 311.342 -0.375 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])s1 1636476479 CUBMZKKFWKVPFY-LURJTMIESA-N 308.337 -0.208 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)n1 1637648651 VPEZXKAZFGCOGQ-VHSXEESVSA-N 312.326 -0.126 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN(C)CCNS(C)(=O)=O 1652480319 LSZZJQHAGZUQDL-UHFFFAOYSA-N 305.360 -0.419 5 10 DBBE CN(C(=O)CN1CC[C@@H](O)[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 1654529659 XGKHMTPCHCUGIT-OLZOCXBDSA-N 309.322 -0.015 5 10 DBBE Cn1ncnc1CNCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 1665921284 GPFNEIYSZWXXSX-GHMZBOCLSA-N 322.369 -0.001 5 10 DBBE CC(=O)N(C)CC(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1692171127 JYPHWKMXWJMRJF-UHFFFAOYSA-N 324.341 -0.893 5 10 DBBE Cc1noc(Cn2nc([N+](=O)[O-])c(S(N)(=O)=O)c2C)n1 2156815368 YTJUWWNHAJYYPH-UHFFFAOYSA-N 302.272 -0.513 5 10 DBBE O=[N+]([O-])c1c(F)nc[nH]c1=NCCNS(=O)(=O)C(F)F 2159524291 HMLAVOPWNDDJRG-UHFFFAOYSA-N 315.233 -0.500 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@](C)(N)CO 2181131044 ZYIOEFWZHLJQED-NSHDSACASA-N 303.340 -0.109 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NCCCCS(N)(=O)=O 2186531763 IFNJLRQZKMSLAL-UHFFFAOYSA-N 305.316 -0.873 5 10 DBBE O=C(O)[C@@H](Nc1cccc([N+](=O)[O-])n1)C1CS(=O)(=O)C1 2197526377 RUPMEOGLTNDOQM-VIFPVBQESA-N 301.280 -0.101 5 10 DBBE CNc1cccc(C(=O)NCCS(N)(=O)=O)c1[N+](=O)[O-] 156929547 GYFUXMOPVOMRJV-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE CNc1sc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)cc1[N+](=O)[O-] 234503815 VBVKRISCGOZSRQ-KNVOCYPGSA-N 323.352 -0.576 5 10 DBBE CNC[C@@H]1C[C@H](F)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599109858 WKLKEINHJBPJSD-YUMQZZPRSA-N 321.334 -0.351 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cnc2n1CCOC2 1134892756 MFZWYBMYIGLWTC-UHFFFAOYSA-N 306.282 -0.166 5 10 DBBE CNC(=O)[C@@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCO1 1138145000 LPNPMNXRQUSBNS-YFKPBYRVSA-N 317.689 -0.442 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCc3nn(C)c(=O)cc3C2)n1 1320024334 ABGLTKVYSLLHMO-UHFFFAOYSA-N 318.293 -0.380 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)n1 1337980578 IXCKVYBXYDRIIE-QMMMGPOBSA-N 316.339 -0.023 5 10 DBBE Cc1cncn1CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1522901819 QUTZSVLFTGRTMB-GHMZBOCLSA-N 309.326 -0.521 5 10 DBBE O=C(O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1 1615977042 JBDLHBVBWPCVJV-GMSGAONNSA-N 315.307 -0.312 5 10 DBBE CN(C(=O)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1725354414 XPQPQYWMGOSNPI-FPQZTECRSA-N 324.381 -0.243 5 10 DBBE O=C(O)C[C@@H](NC(=O)c1cn2cc([N+](=O)[O-])ccc2n1)C(=O)O 1860400703 QJOXTIALMGTUOY-SSDOTTSWSA-N 322.233 -0.100 5 10 DBBE Nc1sc(S(=O)(=O)N2CC(CO)(CO)C2)cc1[N+](=O)[O-] 1914978879 PJFSUVYZYLHPAW-UHFFFAOYSA-N 323.352 -0.786 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(OCCO)C2)cc1 1965788475 FYWIXKHSNCRWFH-UHFFFAOYSA-N 302.308 -0.023 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(c2cc(N)c([N+](=O)[O-])cn2)C1 2165862875 FERBGKKKPRIHLH-ZETCQYMHSA-N 301.328 -0.300 5 10 DBBE O=C(O)[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 90364140 CBIMJBLUCCPYIR-YUMQZZPRSA-N 317.279 -0.632 5 10 DBBE Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(N)=O 94780541 AUIRURIENQAQSY-LURJTMIESA-N 302.312 -0.362 5 10 DBBE Nc1cccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1[N+](=O)[O-] 323379653 GIVAFBMGPKQROP-HTQZYQBOSA-N 303.296 -0.785 5 10 DBBE CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593532010 MPUIWNNZABDLEN-SECBINFHSA-N 314.323 -0.111 5 10 DBBE N[C@@]1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCOC1 688511402 DUHIWTIVCVTTQU-LLVKDONJSA-N 301.324 -0.009 5 10 DBBE CCOCCCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1328947406 ZIBNHRKJKJFCQD-UHFFFAOYSA-N 320.327 -0.050 5 10 DBBE CC1=NNC(=O)[C@H]1CCNC(=O)Cn1cc([N+](=O)[O-])nc1C 1565612016 ZFJIOBOZYHMRCG-VIFPVBQESA-N 308.298 -0.272 5 10 DBBE Cc1cc(O)ncc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703364380 SALDOACAEYIACS-MWLCHTKSSA-N 322.321 -0.003 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnnn1C 1704882768 DLRIXMCVKFULDK-RKDXNWHRSA-N 310.314 -0.989 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1nc[nH]n1 1721700607 JSNSNWCMCIRGGW-NXEZZACHSA-N 324.341 -0.681 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CNCCOC2)c1 2152196394 PYBXJAUWIFZSNO-VIFPVBQESA-N 301.324 -0.139 5 10 DBBE NC[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 2154118794 KYHNPCFMALVEEG-BDAKNGLRSA-N 301.324 -0.153 5 10 DBBE COc1nc(=NCCCNS(C)(=O)=O)[nH]cc1[N+](=O)[O-] 2157672676 BDAUBRSDTLNPMJ-UHFFFAOYSA-N 305.316 -0.834 5 10 DBBE C[C@](O)(CCO)CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2163683208 ZRJBMGMIZMWQJK-JTQLQIEISA-N 305.312 -0.599 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC2(CO)CO)c1 2194355969 FGTIOHBWDDAXSZ-UHFFFAOYSA-N 302.308 -0.287 5 10 DBBE O=C(O)[C@@H]1CN(c2cccc([N+](=O)[O-])n2)CCS1(=O)=O 2197721782 DANBFUUKPNRVRL-ZETCQYMHSA-N 301.280 -0.322 5 10 DBBE Cc1c([N+](=O)[O-])c(=NCCCN(C)S(C)(=O)=O)[nH]n1C 2207486611 YXIUNVWDPMQQLN-UHFFFAOYSA-N 305.360 -0.248 5 10 DBBE C[C@@H](CS(N)(=O)=O)N=c1ccn2ncc([N+](=O)[O-])c2[nH]1 2295877916 LPJOPKVQAIYVMB-LURJTMIESA-N 300.300 -0.852 5 10 DBBE O=C(O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 21810881 NOFFTZHHUNJILN-ZETCQYMHSA-N 324.698 -0.028 5 10 DBBE COC[C@H](O)CN(C)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 42499956 AUUXXVMTCZLGKM-SNVBAGLBSA-N 300.315 -0.126 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](N)[C@@H](C)O 80739084 DJHYJRAEFSUQGM-PSASIEDQSA-N 303.340 -0.110 5 10 DBBE CNc1cc(S(=O)(=O)N2CCNC(=O)C2)ccc1[N+](=O)[O-] 131829836 SNXYLZDPJLHKEH-UHFFFAOYSA-N 314.323 -0.243 5 10 DBBE CC(C)(CNc1ncnc(NN)c1[N+](=O)[O-])NS(C)(=O)=O 160361806 AKHABKFQAMTZEJ-UHFFFAOYSA-N 319.347 -0.590 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC(=O)N(CCOC)C2)n1 338336032 KWGWJUISZXRFAE-UHFFFAOYSA-N 311.298 -0.301 5 10 DBBE O=C(CO)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 450426141 VURYZHIIZBQQIH-UHFFFAOYSA-N 309.278 -0.423 5 10 DBBE Cn1ccnc1[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1320198598 WTHRBWGGURFYGW-SECBINFHSA-N 305.298 -0.064 5 10 DBBE C[C@H](NC(=O)C(=O)N[C@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 1328823161 LRNYWOORDWUZCI-KWQFWETISA-N 320.305 -0.223 5 10 DBBE CC(C)N(CCN(C)C(=O)c1cnn[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1511706815 NICINAFXJBYISF-MWLCHTKSSA-N 324.341 -0.221 5 10 DBBE O=C1CO[C@@H]2CCN(C(=O)c3cnc(O)c([N+](=O)[O-])c3)C[C@H]2N1 1625896681 QAXMXRIWVUYBGF-PSASIEDQSA-N 322.277 -0.575 5 10 DBBE CS(=O)(=O)C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CCO1 1652282059 HZNPOQNWIUAHDW-SECBINFHSA-N 302.312 -0.365 5 10 DBBE COCCN1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1700336764 YCYJZDQLGHBAJH-GHMZBOCLSA-N 301.343 -0.759 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnnn1C1CC1 1714536072 NXXGQESHMWLQKH-NXEZZACHSA-N 309.330 -0.779 5 10 DBBE CCN(C)C(=O)CNCCN(CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1715733062 ZLUSEVRYYQTLMO-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE CC(=O)NCC(=O)NC/C=C/CNCc1c([N+](=O)[O-])ncn1C 1732818279 SDFCWVNPUBNOAD-ONEGZZNKSA-N 324.341 -0.774 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@H]1CCCC[C@H]1S(C)(=O)=O 2159177949 DDRJVLQLWIJMHT-JGVFFNPUSA-N 303.344 -0.087 5 10 DBBE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1c1ncc(Cl)cc1[N+](=O)[O-] 2357877708 IVLMKNSEFTXVSD-BWZBUEFSSA-N 303.658 -0.362 5 10 DBBE O=C(CN1CCN(CCO)CC1)NCc1ccccc1[N+](=O)[O-] 193573100 GQCJAYSWAZRSJN-UHFFFAOYSA-N 322.365 -0.179 5 10 DBBE CN(CCCO)S(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 312493025 YOKJLXCEUFTPQJ-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC[C@](O)(CO)C2)c1 313828584 XWOVLKWZAZLDFU-SNVBAGLBSA-N 303.296 -0.892 5 10 DBBE CC(C)C[C@H]1C(=O)NCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 438373888 HLYCXHSPNFDQRA-VIFPVBQESA-N 310.314 -0.441 5 10 DBBE CN(C(C)(C)C(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593602611 DZVKNXDFAHMKFG-UHFFFAOYSA-N 302.312 -0.126 5 10 DBBE CNC(=O)NC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 600230453 VXZRDQOXYSOGKA-SECBINFHSA-N 311.298 -0.307 5 10 DBBE CC(=O)NCC(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 789484236 KBSHQYZEVBXCQI-UHFFFAOYSA-N 315.307 -0.156 5 10 DBBE CC(C)c1nnc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)n1C 1116591940 CYVOIJHFJGTFLV-UHFFFAOYSA-N 308.302 -0.245 5 10 DBBE Nc1c(C(=O)N2CC3(C[C@H](O)CNC3=O)C2)cccc1[N+](=O)[O-] 1303533494 NZVCBJLEBLTARJ-QMMMGPOBSA-N 320.305 -0.500 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](CO)C2)nc1 1326778999 RBRXKWIKOWUAMU-SCZZXKLOSA-N 317.323 -0.646 5 10 DBBE O=C(CCc1cncnc1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1350017467 SJUWRJSCQBCUBH-VXGBXAGGSA-N 321.337 -0.303 5 10 DBBE CCn1ccc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1357809483 SOZCXUVILRGHBJ-YZKQYGISSA-N 321.337 -0.030 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN(CCCO)C1 1556662688 KVZAWIGIMLYKTH-LLVKDONJSA-N 311.342 -0.246 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@](O)(C(F)F)C1 1556680697 JDFSBXFAVUWMIJ-LBPRGKRZSA-N 317.248 -0.015 5 10 DBBE Cc1nn(CCC(=O)N2C[C@@H](O)[C@@H](CO)C2)c(C)c1[N+](=O)[O-] 1629600148 ACCLFEKJWZYRCT-GHMZBOCLSA-N 312.326 -0.390 5 10 DBBE COc1cccc(C(=O)N2CC3(C2)NC(=O)NC3=O)c1[N+](=O)[O-] 1647985027 VJSSGXHSUXKHQN-UHFFFAOYSA-N 320.261 -0.363 5 10 DBBE CONC(=O)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1651404861 IOLCRWXCFUTUAE-UHFFFAOYSA-N 312.286 -0.898 5 10 DBBE CN(CC1(S(C)(=O)=O)CC1)c1nc(=N)[nH]cc1[N+](=O)[O-] 2167846804 RWSOXHIAMCGJMJ-UHFFFAOYSA-N 301.328 -0.189 5 10 DBBE O=C(O)c1ccc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@H]2O)c1 50517653 VDGFIRBYBVKTKN-PSASIEDQSA-N 317.275 -0.170 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)c2cnn(C)n2)c1=O 284340042 VFZYHHFNGAAYQH-UHFFFAOYSA-N 321.249 -0.446 5 10 DBBE C[C@](O)(CO)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 338630051 VHMYVXIJOVUQNI-CYBMUJFWSA-N 312.278 -0.161 5 10 DBBE CNc1nccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-] 561259547 QWFVPUVLQFSQFO-MRVPVSSYSA-N 307.310 0.382 5 10 DBBE CCOC(=O)C[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])nc1C 590551891 AZFOBYDJFRSUBW-SECBINFHSA-N 314.298 -0.470 5 10 DBBE COC(=O)[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccnn1C 592700786 JYRZYTVVLCUODI-LLVKDONJSA-N 322.281 -0.445 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)nc1 593555321 DYUZGENBMFPWPT-DTORHVGOSA-N 303.296 -0.894 5 10 DBBE O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1C[C@@H](O)C[C@@H](O)C1 610669414 ZQMBXTDCQKJNSI-AOOOYVTPSA-N 324.289 -0.066 5 10 DBBE CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H](C)CS(C)(=O)=O 1116049488 WXIMEDZEQVCDNW-QMMMGPOBSA-N 319.343 -0.532 5 10 DBBE CC(C)(C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1)n1cc([N+](=O)[O-])cn1 1304143836 IOBCTBGIFWMQLW-GDPRMGEGSA-N 312.326 -0.083 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2[C@H]3CC[C@@H](NC3)[C@H]2C1 1331475280 YFUZDXUTUGIRGV-ZRUFSTJUSA-N 306.326 -0.357 5 10 DBBE CS(=O)(=O)CCCN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1494551433 GYHSYPJGZBVKGH-GHMZBOCLSA-N 319.383 -0.866 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCC(NS(N)(=O)=O)CC1 1559254743 VDTMAVFQUQVECZ-UHFFFAOYSA-N 304.332 -0.910 5 10 DBBE CCN(C)C(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1566971808 JXJBFNVUKOSABJ-HMUNZLOLSA-N 310.354 -0.824 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cccc(O)n1 1582942041 UFQKFKQLVDGKTG-MWLCHTKSSA-N 322.321 -0.017 5 10 DBBE CN(C)C1(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1738506106 YQCNUYGMQRAYSI-OPVGQWETSA-N 324.381 -0.076 5 10 DBBE O=C1CN(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CCN1 1889939813 UPZDBTHFWSBMTH-UHFFFAOYSA-N 322.296 -0.010 5 10 DBBE Cc1ncn(C)c1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2188586158 VIFXZLXDISHILF-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](O)[C@@H](O)C2)c1 2188680289 LMKXVXIFPZSRTI-QWRGUYRKSA-N 302.308 -0.289 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2([C@@H](O)CO)CC2)cn1 2190120032 SZWJNOFZSWIWMD-QMMMGPOBSA-N 303.296 -0.846 5 10 DBBE Nc1ccc(S(=O)(=O)Nc2nc(O)n[nH]2)c([N+](=O)[O-])c1 2199524402 ILCWEVLCULWZSI-UHFFFAOYSA-N 300.256 -0.199 5 10 DBBE COCC[S@](=O)CCN=c1cc([N+](=O)[O-])cc(NN)[nH]1 2207025911 POEXUYIKGUFIGV-HXUWFJFHSA-N 303.344 -0.496 5 10 DBBE Cc1c([N+](=O)[O-])c(=NCC2[C@H]3CS(=O)(=O)C[C@H]23)[nH]n1C 2207485313 IYLKBZVJJYGAQQ-RKDXNWHRSA-N 300.340 -0.239 5 10 DBBE CS[C@@H]1COC[C@@H]1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 2207562390 QQGBAGAOGXMKBV-OUAUKWLOSA-N 302.356 -0.128 5 10 DBBE CC(C)n1ncc([N+](=O)[O-])c1N[C@H]1CS(=O)(=O)C[C@@H]1O 2240590830 LKYALDZPVRVOQA-CBAPKCEASA-N 304.328 -0.058 5 10 DBBE COC[C@H](O)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N 50677970 KJMRWVMBANRZEZ-SECBINFHSA-N 319.339 -0.195 5 10 DBBE Cc1nn(C[C@@H](O)CNCCOCCO)c(C)c1[N+](=O)[O-] 69369843 RFEMSRZMQZGGND-NSHDSACASA-N 302.331 -0.632 5 10 DBBE O=C1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C(=O)N1 269612870 RWKJIEKZVJZGTQ-QMMMGPOBSA-N 307.262 -0.105 5 10 DBBE CN(C(CO)CO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 313552815 SEDLXUIQOAFWAE-UHFFFAOYSA-N 308.287 -0.292 5 10 DBBE CCn1cnc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c1 427794241 RYDKTTRCGYOCIK-UHFFFAOYSA-N 314.327 -0.014 5 10 DBBE CNc1nccc(C(=O)N2CCN(CCO)C[C@@H]2C)c1[N+](=O)[O-] 570864648 ZNGGROWTFARIGY-JTQLQIEISA-N 323.353 0.170 5 10 DBBE CN([C@@H](CN)C1CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599109213 UOBFKUQFPVJJJI-QMMMGPOBSA-N 303.344 -0.314 5 10 DBBE CNC(=O)NC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CCO1 599128866 MUMMVLAIKBAIEV-SECBINFHSA-N 312.330 -0.229 5 10 DBBE NS(=O)(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 721536330 UPLQUXSKQQVARL-UHFFFAOYSA-N 302.312 -0.136 5 10 DBBE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839762697 URVHOOKYOBBUHZ-IVZWLZJFSA-N 305.356 -0.418 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)C[C@@H]1CO 1149359992 MKAGVNZQPKVFCM-LLVKDONJSA-N 311.342 -0.375 5 10 DBBE O=[N+]([O-])c1ncccc1CN1CCN2CCOC[C@]2(CO)C1 1560178148 OSGRKNSQRRLBBW-CQSZACIVSA-N 308.338 -0.131 5 10 DBBE Cc1c[nH]nc1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1577034939 IFRCBRZBKMOELM-NXEZZACHSA-N 309.326 -0.038 5 10 DBBE NC(=O)[C@H](O)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 1635721747 QVFSEURFYVDGGR-SSDOTTSWSA-N 305.649 -0.037 5 10 DBBE CN(C)C(=O)CN(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1676049360 GLMOGQLTZJZUPP-VXGBXAGGSA-N 312.370 -0.337 5 10 DBBE CCNC(=O)CN(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1734268656 WMDCACHOQULBTL-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE CCn1nncc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1738749008 JVATWAPGSDPBLP-RKDXNWHRSA-N 322.325 -0.658 5 10 DBBE CNC[C@@](C)(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1919708717 HNXVIWMYFSFAIN-ZETCQYMHSA-N 308.092 -0.032 5 10 DBBE CS(=O)(=O)C1(Cn2cc([N+](=O)[O-])c(O)nc2=O)CCC1 2167827925 ZNHKTXZGGMEFLS-UHFFFAOYSA-N 303.296 -0.176 5 10 DBBE CS(=O)(=O)C[C@H]1C[C@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])C1 2171328177 RWTRVPIVUSPOHQ-LJGSYFOKSA-N 301.328 -0.546 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@H](O)CO)ccc1O 2182234719 BAAKMTXWXBQOHT-ZETCQYMHSA-N 306.296 -0.678 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1ccc([N+](=O)[O-])cc1N 2192675269 CXPNALLBTGCGNC-MNOVXSKESA-N 300.340 -0.026 5 10 DBBE Nc1sc(S(=O)(=O)N2CCC2(CO)CO)cc1[N+](=O)[O-] 2194441590 AHNOQJLDMFKTAN-UHFFFAOYSA-N 323.352 -0.644 5 10 DBBE Nc1cc(NC[C@H]2NC[C@@H](O)[C@H]2O)c(Cl)cc1[N+](=O)[O-] 2358572532 FTMJOKITJZMOLV-IEBDPFPHSA-N 302.718 -0.064 5 10 DBBE C[C@H](O)[C@@H](N)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 80749087 JDIHQIWMZLDBPI-XPUUQOCRSA-N 305.312 -0.713 5 10 DBBE Nc1cccc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)c1[N+](=O)[O-] 127019999 LOSPKHRQMPVCCI-ZETCQYMHSA-N 314.323 -0.266 5 10 DBBE O=C(O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131133654 HUCXRYBJLQTERQ-SSDOTTSWSA-N 308.243 -0.542 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1cccc([N+](=O)[O-])c1NN 161556078 QARFLOMKJOFHFZ-UHFFFAOYSA-N 317.327 -0.841 5 10 DBBE CS(=O)(=O)C1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 337938786 JRJPPHNECNXMEV-UHFFFAOYSA-N 300.296 -0.678 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1c([N+](=O)[O-])c(C)nn1C 596433483 HBQLJEZAHARZDV-HTQZYQBOSA-N 304.328 -0.139 5 10 DBBE CS(=O)(=O)NC1CN(Cc2ccc([N+](=O)[O-])c(N)c2)C1 703177453 KCZMSZHPWKNGHD-UHFFFAOYSA-N 300.340 -0.090 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(c2nccc(N)c2[N+](=O)[O-])C1 703184240 PFGCORFHSQHVAK-SSDOTTSWSA-N 301.328 -0.300 5 10 DBBE CN(CCOCCNCc1ccc([N+](=O)[O-])cc1)C(=O)C(N)=O 1279437730 YDPJWUMDWWWQIE-UHFFFAOYSA-N 324.337 -0.355 5 10 DBBE CC(F)(F)C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1285936075 BFNJRRLAAOPCQR-HTQZYQBOSA-N 321.280 -0.614 5 10 DBBE NS(=O)(=O)NC1CN(c2nc3ccccn3c2[N+](=O)[O-])C1 1612759964 CLEHNUMPSWJZJC-UHFFFAOYSA-N 312.311 -0.776 5 10 DBBE C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ncn(C)n1 1616573598 BBYQIOYZZPBVAD-QMMMGPOBSA-N 306.282 -0.238 5 10 DBBE CCOC(=O)COCCNC(=O)Cn1ccc([N+](=O)[O-])n1 1636889509 RPEIOXJITIXKBJ-UHFFFAOYSA-N 300.271 -0.513 5 10 DBBE CONC(=O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 1639792802 AYDKMPUPPJRYLJ-UHFFFAOYSA-N 310.266 -0.882 5 10 DBBE O=C(NCCCN1CCN(CCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1690058648 XKSBQFKEZLHOEC-CHWSQXEVSA-N 314.386 -0.842 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cccnn1 1759557288 GKZROLQIPBYGCA-MWLCHTKSSA-N 307.310 -0.328 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC(O)(C(F)F)C2)c1 1964011252 LKFIKVYXMYROOO-UHFFFAOYSA-N 309.250 -0.010 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](F)[C@@H](CO)C2)cn1 2177141770 YWFIHGSPQGHTHT-APPZFPTMSA-N 305.287 -0.059 5 10 DBBE CC(=O)N[C@H](Cn1cc(Cl)cc([N+](=O)[O-])c1=O)C(=O)O 2206215420 MXDZCIPIAJOSSP-SSDOTTSWSA-N 303.658 -0.001 5 10 DBBE Nc1cccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)c1[N+](=O)[O-] 127003995 KZJDHZHRDKOPOE-SSDOTTSWSA-N 314.323 -0.266 5 10 DBBE C[C@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 132199898 SBOBJJNYVQTMAV-QMMMGPOBSA-N 321.330 -0.017 5 10 DBBE COCCNCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 216041706 ZZCQSQADRBJPJB-UHFFFAOYSA-N 319.339 -0.185 5 10 DBBE Cc1nccc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1 599227312 RPKVMUNMMIVULE-UHFFFAOYSA-N 312.311 -0.095 5 10 DBBE C[C@@H](O)[C@H](O)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 717414390 JIKCITXHBRAIIB-HZGVNTEJSA-N 308.287 -0.246 5 10 DBBE COC(=O)[C@H](O)C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 1137698886 NCNVJBHZMSZDAY-SECBINFHSA-N 312.282 -0.296 5 10 DBBE Cc1nn(CCC(=O)N2CC(CO)(CO)C2)c(C)c1[N+](=O)[O-] 1154594551 QYMOGZCCRNCNQU-UHFFFAOYSA-N 312.326 -0.389 5 10 DBBE CC(C)(C(=O)N1CC(NC2COC2)C1)n1cc([N+](=O)[O-])cn1 1179456930 CCOSXQRXFNLDQO-UHFFFAOYSA-N 309.326 -0.274 5 10 DBBE C[C@@]12CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@]1(C)C(=O)NC2=O 1642489442 NUOTWTUXDHNPDP-STQMWFEESA-N 321.293 -0.698 5 10 DBBE O=C1OCC[C@@]12CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 1660694149 LJFYOXTUWBZXOV-WCQYABFASA-N 310.310 -0.209 5 10 DBBE O=C(CCn1ccnc1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1705034287 AEJCDEHNCYNAGK-JZIZGNRHSA-N 321.337 -0.273 5 10 DBBE CN(C(=O)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1707062263 UZOVPIUCCZNNRK-LYIQGSDWSA-N 324.381 -0.243 5 10 DBBE CN(C(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1713948595 SGWNGGXFCAQQIL-CNVPUSNMSA-N 310.354 -0.491 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N(C)C 1714653802 PEEKBHGKHHUCJH-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE Cn1c(=O)n(CC(=O)N2CCN=C2C[N+](=O)[O-])c2ccccc21 1851675774 SGWVSYVVTQKBHU-UHFFFAOYSA-N 317.305 -0.143 5 10 DBBE NNc1sc(S(=O)(=O)NCc2ncno2)cc1[N+](=O)[O-] 2152396979 XAEZOFDQGCVCBN-UHFFFAOYSA-N 320.312 -0.197 5 10 DBBE CCS(=O)(=O)C[C@@H](C)N=c1[nH]c(NN)ncc1[N+](=O)[O-] 2170590251 IJLVTYZYNYJKJQ-ZCFIWIBFSA-N 304.332 -0.673 5 10 DBBE COc1ccc(S(=O)(=O)N[C@@H](CN)CO)cc1[N+](=O)[O-] 2182585611 GGJVZFJQLVDXHD-ZETCQYMHSA-N 305.312 -0.799 5 10 DBBE O=C(Nc1ccnc(Cl)c1[N+](=O)[O-])[C@@H]1NC[C@H](O)[C@H]1O 2201150497 UEFLWUIRCGWDPD-SHYZEUOFSA-N 302.674 -0.725 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@@H](CS(C)(=O)=O)C(=O)O)[nH]1 2360576199 SEJNXMMLZVDVBI-LURJTMIESA-N 306.300 -0.857 5 10 DBBE C[C@H](O)[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O 21819122 CYDQGJHPAGQUAK-XVKPBYJWSA-N 318.307 -0.152 5 10 DBBE C[C@@H]1C(=O)NC(=O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 97295054 SYEXQMWRGBHIFG-SSDOTTSWSA-N 313.291 -0.370 5 10 DBBE C[C@@](O)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131250007 PGCRMYUPIRRNJE-JTQLQIEISA-N 308.287 -0.245 5 10 DBBE CC(C)NC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 131974546 QVGPJOPPMOCHGK-UHFFFAOYSA-N 316.339 -0.020 5 10 DBBE Cc1cc(O[C@@H](C)C(N)=O)c([N+](=O)[O-])cc1S(N)(=O)=O 216059123 HKWRIAIEYIINEX-LURJTMIESA-N 303.296 -0.197 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CCNC[C@@H](O)C2)c1 312499737 XQIYWNIXJYQBIK-SNVBAGLBSA-N 301.324 -0.450 5 10 DBBE COC[C@@H](C(N)=O)N(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 354619976 KKWDMTXUCKRAAX-VIFPVBQESA-N 313.314 -0.515 5 10 DBBE Cn1cc([N+](=O)[O-])c(=N[C@@H]2CCCN(S(C)(=O)=O)C2)[nH]1 400221337 IQIFYLXRTROZQQ-MRVPVSSYSA-N 303.344 -0.414 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CCO)CC(F)F)n1 599294547 KIGWTRPAYQUWLJ-UHFFFAOYSA-N 314.270 -0.424 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCOC[C@H]2O)cn1 706680690 MODIOGDVKYQUBS-DTWKUNHWSA-N 303.296 -0.582 5 10 DBBE C[C@@H](O)[C@H](O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 717402448 RFMYBOSNQGUKGB-LDYMZIIASA-N 304.324 -0.244 5 10 DBBE NC[C@H]1CC(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)=NO1 852889673 PIYUDTOBORDJDQ-SNVBAGLBSA-N 305.294 -0.022 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@@H](CCO)[C@@H](CO)C1 1305753811 SWTRYBJQYBLOSL-GHMZBOCLSA-N 312.326 -0.369 5 10 DBBE CN([C@@H]1CCNC1=O)S(=O)(=O)c1ncccc1[N+](=O)[O-] 1327036335 ULCMORWWTDRNAH-SSDOTTSWSA-N 300.296 -0.501 5 10 DBBE Cc1ncc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C 1522900870 CZQQPQGWQKHBLU-NXEZZACHSA-N 309.326 -0.370 5 10 DBBE CNC(=O)CN(CC(=O)NC)C(=O)c1cccc([N+](=O)[O-])c1C 1651362326 WCNQFJPYKJNWGD-UHFFFAOYSA-N 322.321 -0.163 5 10 DBBE Cc1ncn(C)c1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704216845 AKPNIIWOLFFMFT-NXEZZACHSA-N 309.326 -0.418 5 10 DBBE CCn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCN(C)CC1 1851023083 FKLQDXHMDWRTSR-UHFFFAOYSA-N 310.358 -0.212 5 10 DBBE C[C@@H]1NC[C@@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 2011378259 DQTNHAWKZZTJIR-CLTAVNFZSA-N 306.076 -0.280 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N[C@H]1CS(=O)(=O)C[C@H]1O 2121465733 JPHFJLNDSRQOGM-CRCLSJGQSA-N 308.703 -0.392 5 10 DBBE Nc1nc[nH]c(=NCC2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 2146104442 XEGXTVQEYMTQLS-UHFFFAOYSA-N 301.328 -0.374 5 10 DBBE CN(CC1(S(C)(=O)=O)CC1)c1ncnc(N)c1[N+](=O)[O-] 2167846320 KPYCOMZECWCHLE-UHFFFAOYSA-N 301.328 -0.020 5 10 DBBE O=Cc1ccc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@@H]2O)c1 50517492 AZCNXLJPGOTXCX-ONGXEEELSA-N 301.276 -0.056 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC[C@@H]2CO)cc1 168667763 PNOKDCFXELGALX-JTQLQIEISA-N 302.308 -0.023 5 10 DBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(N)=O 228409970 FRDHSPAUGQGROH-UHFFFAOYSA-N 317.279 -0.855 5 10 DBBE Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1 408169204 MQLLVCCERQGVLW-JTQLQIEISA-N 319.321 -0.246 5 10 DBBE O=C1CCC[C@H]1[C@H]1COCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 427925439 UMFUYPNBJOUULZ-VHSXEESVSA-N 323.309 -0.217 5 10 DBBE C[C@@]1(F)CNCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 578193982 DRRWRLAIFUGFJH-CYBMUJFWSA-N 312.301 -0.084 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](O)C[C@H]2C(N)=O)c1 596620432 YDYVYZYFMAAZMM-PWSUYJOCSA-N 323.305 -0.198 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(C)(C)OCCO)n1 599313808 CQCLRINJWKOFJB-UHFFFAOYSA-N 322.343 -0.606 5 10 DBBE COCCN(CCF)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599350956 CHFKFPQQALEVGO-UHFFFAOYSA-N 310.307 -0.065 5 10 DBBE NS(=O)(=O)c1cn(CCO[C@H]2CC2(F)F)nc1[N+](=O)[O-] 689033976 QPOFOOHIZYGKAD-LURJTMIESA-N 312.254 -0.137 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCNC[C@H]2O)cc1 710418016 KUYGSKJSISOQJM-WDEREUQCSA-N 301.324 -0.404 5 10 DBBE Cn1cc(C[C@@H](O)C(=O)OCCn2ccc([N+](=O)[O-])n2)cn1 786871184 PVODHUWSUYPUQZ-SNVBAGLBSA-N 309.282 -0.328 5 10 DBBE C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 1116789220 YPUCHXAWICVGOU-MRVPVSSYSA-N 316.339 -0.023 5 10 DBBE O=[N+]([O-])c1ccc(N2CCS(=O)(=O)C[C@@H]2CCO)cn1 1187678108 VNCJWHNYLYPUTP-JTQLQIEISA-N 301.324 -0.024 5 10 DBBE O=C(c1cc([N+](=O)[O-])cnc1O)N1CCS(=O)(=O)CCO1 1458045501 SLIWFFLWCTWQKY-UHFFFAOYSA-N 317.279 -0.502 5 10 DBBE COCCCNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1569727944 PCQJFNBKOPLCEY-VXGBXAGGSA-N 315.370 -0.057 5 10 DBBE CCOC(=O)[C@H](CO)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1596547784 XVDLSRNLVGNSOH-WDEREUQCSA-N 312.278 -0.332 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N=S1(=O)CCOCC1 1636976297 UHZPMSWUCQELLU-UHFFFAOYSA-N 315.307 -0.219 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1645871975 BCNBJFXELCSHAU-JGPRNRPPSA-N 312.326 -0.120 5 10 DBBE Cn1c(=O)c([N+](=O)[O-])c(N2C[C@H](O)[C@H](O)C2)c2ccccc21 1650815530 KUYOOTWIIYSJLK-PHIMTYICSA-N 305.290 -0.012 5 10 DBBE C[C@](C(=O)O)([C@@H]1CCS(=O)(=O)C1)n1cnc([N+](=O)[O-])n1 2146791641 MBWWBMFZUWKYSA-HZGVNTEJSA-N 304.284 -0.579 5 10 DBBE N[C@H]1COC[C@@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2149990006 YMVAYGNSACOUBL-UWVGGRQHSA-N 301.324 -0.260 5 10 DBBE O=[N+]([O-])c1cccnc1NS(=O)(=O)N1CCCNCC1 2202434721 VKBCDVJMLIKBKA-UHFFFAOYSA-N 301.328 -0.058 5 10 DBBE N[C@H](CS(=O)(=O)Nc1cc(Cl)ncc1[N+](=O)[O-])C(=O)O 2286032236 AXJBAEHYESOILA-SCSAIBSYSA-N 324.702 -0.203 5 10 DBBE CC(C)(NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1)C(N)=O 45110443 FNOROODQXABSQZ-UHFFFAOYSA-N 317.327 -0.577 5 10 DBBE O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)CC(=O)N1 131248803 XNEWPCBGJUNYIE-UHFFFAOYSA-N 317.254 -0.619 5 10 DBBE O=C(NC[C@@H]1CNC[C@@H]1O)c1cc2c(cc1[N+](=O)[O-])OCCO2 262278990 NSKHVSFOIXGQFC-KWQFWETISA-N 323.305 -0.324 5 10 DBBE CCS(=O)(=O)NCCNc1ccc2ncc([N+](=O)[O-])n2n1 301892139 ABRVVWRJFVBVQZ-UHFFFAOYSA-N 314.327 -0.011 5 10 DBBE N[C@H](CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])C(=O)O 323254117 DJFYWAPMBRMZTL-ZCFIWIBFSA-N 307.259 -0.576 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N[C@H]2COC[C@H]2O)c1 323508709 PYFCSHYVZHWWLN-DTWKUNHWSA-N 306.271 -0.228 5 10 DBBE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1c([N+](=O)[O-])cnn1C 592873642 PSQDTMBSQDRSBX-VIFPVBQESA-N 324.341 -0.480 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@]1(C(=O)O)CCCOC1 600878235 PEXWRQWZJBASJO-GFCCVEGCSA-N 312.282 -0.211 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@@H](O)CO 698917328 DWJJSAVUUNPSGF-WPRPVWTQSA-N 304.324 -0.077 5 10 DBBE O=C1NCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 699083059 QQNIIIQOFZTCDF-ZETCQYMHSA-N 303.271 -0.099 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CN(C2CC2)C(=O)O1 847269775 MNLDWIDUNRNQQR-MRVPVSSYSA-N 310.270 -0.714 5 10 DBBE O=C(NCCN(CC(=O)N1CCCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1266592385 QKLTZSPVTJWSMZ-CHWSQXEVSA-N 324.381 -0.145 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(O)CCOCC2)n1 1351372220 JQWWAESRTYQHBY-UHFFFAOYSA-N 320.327 -0.852 5 10 DBBE O=C(N[C@@H]1C[C@H](O)[C@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 1635247687 JFRUHQSKRIMASB-DSIYZXSISA-N 310.262 -0.063 5 10 DBBE O=C(Cn1cccc([N+](=O)[O-])c1=O)[C@@H]1CCS(=O)(=O)C1 1651796411 BFFVOZHNFLBYAN-MRVPVSSYSA-N 300.292 -0.240 5 10 DBBE NS(=O)(=O)c1ccc(N(O)CCC(=O)O)c([N+](=O)[O-])c1 2163577579 IZPXUKOIGWPJDK-UHFFFAOYSA-N 305.268 -0.088 5 10 DBBE Cc1cc(S(=O)(=O)NC[C@H](O)CN)cc([N+](=O)[O-])c1F 2182585562 FVSPZAZMUUEHDM-SSDOTTSWSA-N 307.303 -0.360 5 10 DBBE CS(=O)(=O)N1CC[C@H](Oc2nc(F)ncc2[N+](=O)[O-])C1 2285604617 FNFGSBDVQTUSDB-LURJTMIESA-N 306.275 -0.063 5 10 DBBE CN(CC(=O)N1CCOCC1)C(=O)Cn1nccc1[N+](=O)[O-] 299086144 YNZXWXJFCQEHMM-UHFFFAOYSA-N 311.298 -0.892 5 10 DBBE C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1CCO 416301684 VNWHFLYAIQXYAM-WDEREUQCSA-N 311.342 -0.295 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H]1O 594779559 VFLLTSLQFAIBAW-RKDXNWHRSA-N 303.296 -0.630 5 10 DBBE COc1nc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])co1 1285546457 XGOUXKGIEODXIM-XPDWMRMNSA-N 324.293 -0.249 5 10 DBBE O=C(CCn1cccn1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1525286345 HQLHPNQTVDYPBR-WRWGMCAJSA-N 321.337 -0.298 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1=O 1613452374 NVMRWGFTNMNKET-HDBBIHSSSA-N 309.278 -0.341 5 10 DBBE Cc1cc(C(=O)NC[C@@]2(CO)COCCN2)cc([N+](=O)[O-])c1 1642784148 JZWMGKBSWYOGCO-CQSZACIVSA-N 309.322 -0.016 5 10 DBBE Cn1cc(C(=O)N2CC(n3nccn3)C2)cc([N+](=O)[O-])c1=O 1891178732 JHTGCJDXINYLQS-UHFFFAOYSA-N 304.266 -0.418 5 10 DBBE CCS(=O)(=O)N(C)CCN=c1[nH]c(F)ncc1[N+](=O)[O-] 1926346264 VFQUFZRHJNABGK-UHFFFAOYSA-N 307.307 -0.361 5 10 DBBE NNc1sc(S(=O)(=O)N2CC[C@@H]2CO)cc1[N+](=O)[O-] 2092548482 OGTRMNDCROYNDQ-RXMQYKEDSA-N 308.341 -0.303 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](N)[C@@H](C)O 80737716 GMUUPOSZAMBQHE-PSASIEDQSA-N 303.340 -0.110 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CNC[C@H]1O 262094620 DHHPRZBJVGHZIN-QPUJVOFHSA-N 313.285 -0.191 5 10 DBBE NC(=O)[C@]1(O)CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 276396195 FTFNJHQYTFHBKJ-AWEZNQCLSA-N 320.305 -0.094 5 10 DBBE CCOC(=O)C1(O)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 343736130 RNPNDTUNIWWEGL-UHFFFAOYSA-N 312.282 -0.152 5 10 DBBE O=[N+]([O-])c1cnn(CCNc2ccnc(N3CCOCC3)n2)c1 353270196 VPKJCUDECGFESU-UHFFFAOYSA-N 319.325 0.530 5 10 DBBE Cn1c(C(=O)N2CCC[C@H]2CS(N)(=O)=O)ccc1[N+](=O)[O-] 358070528 VBTNZVCEOPUJNJ-QMMMGPOBSA-N 316.339 -0.174 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CCOC[C@H](O)C2)c1 400314744 CGNCDOYRLZXLGU-SECBINFHSA-N 303.296 -0.628 5 10 DBBE Cn1cc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cn1 599218739 PHVWYDQOTUAHGC-UHFFFAOYSA-N 300.300 -0.460 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCCN1CCOC1=O 1143721276 RLFIJRVFZXFDLA-UHFFFAOYSA-N 324.293 -0.285 5 10 DBBE COCC1(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1285546584 ZUWBMHLBMHBWEA-LVUHIJSRSA-N 311.338 -0.133 5 10 DBBE C[C@H](O)[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 1331349510 GHAGOTFIULAETR-CBAPKCEASA-N 320.327 -0.901 5 10 DBBE CCN(CCNC(=O)c1cnnn1CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1356042465 LOXZTCJAICEAOZ-NXEZZACHSA-N 324.341 -0.459 5 10 DBBE Cc1nccc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1501146705 SSINCNSRNLQEPU-ZYHUDNBSSA-N 321.337 -0.019 5 10 DBBE CCn1ncc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1532967427 FDBPITTZAXQUGF-MWLCHTKSSA-N 324.341 -0.506 5 10 DBBE Cn1cc(C(=O)N2CCN3C[C@@H](O)C[C@@H]3C2)cc([N+](=O)[O-])c1=O 1890534686 LLLGOBBECSBDSP-MNOVXSKESA-N 322.321 -0.816 5 10 DBBE CCc1nn(C)c(NC2CN(S(C)(=O)=O)C2)c1[N+](=O)[O-] 1963206143 WQCRKZPRAVZWAT-UHFFFAOYSA-N 303.344 -0.054 5 10 DBBE Nc1c([N+](=O)[O-])ccc(NCCCNS(N)(=O)=O)c1F 2157527826 FRCPSRLLCSNVFD-UHFFFAOYSA-N 307.307 -0.089 5 10 DBBE CN=c1[nH]c(N[C@H]2CCCS(=O)(=O)C2)ncc1[N+](=O)[O-] 2157681930 KLRINGPHKNBQDN-ZETCQYMHSA-N 301.328 -0.163 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1CC[C@](O)(CO)[C@@H](O)C1 2234102444 ZCJNOILQFKOYAP-ONGXEEELSA-N 302.308 -0.414 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC[C@@H]2[C@@H](O)CO)c1 2286222243 UKBSRYAQEARCJS-ZJUUUORDSA-N 303.296 -0.894 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F 50674481 OONQUWFZYKUDHA-YFKPBYRVSA-N 320.302 -0.271 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@H](N)[C@H](C)O)c([N+](=O)[O-])c1 80739114 RPKILXKUMMCWGX-CBAPKCEASA-N 319.339 -0.410 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CNC2CCS(=O)CC2)c1 158159457 SIJITSCNADQSBS-ZYJUBCDJSA-N 302.356 -0.347 5 10 DBBE NC(=O)[C@@]1(O)CCCN(c2ncnc(Cl)c2[N+](=O)[O-])C1 312281917 KCUVMQOOOSFXTK-SNVBAGLBSA-N 301.690 -0.145 5 10 DBBE CCOC(=O)[C@@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599258130 NMKMRRFNJRWBAQ-ZETCQYMHSA-N 320.327 -0.194 5 10 DBBE O=C(NC[C@]12COCCN1C(=O)OC2)c1ccc([N+](=O)[O-])[nH]1 1174571503 WPWSSSLZGLPNHZ-GFCCVEGCSA-N 310.266 -0.126 5 10 DBBE CN1C[C@H]2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@H]2C1 1261246878 DDNONFAHTQXHFU-MNOVXSKESA-N 306.322 -0.081 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)n1 1296301020 PCMUNOMSEISDOC-PSASIEDQSA-N 310.314 -0.941 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC(CO)(CO)C1 1328586968 UFIUSNHSZNUSLE-UHFFFAOYSA-N 313.314 -0.822 5 10 DBBE CS(=O)(=O)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1544280828 XTHKAIVIHLRVQZ-VIFPVBQESA-N 316.339 -0.316 5 10 DBBE Cn1nccc1[C@@H](O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 1652543379 YQCZHCQQWUSOAP-NSHDSACASA-N 308.298 -0.235 5 10 DBBE O=C(NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 1720677488 NIUMLZMNFCZUQK-CHWSQXEVSA-N 324.381 -0.288 5 10 DBBE O=C(NC1CN(C(=O)CCOCC2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1721341466 BEMKMNQRRWFAIY-VXGBXAGGSA-N 311.338 -0.205 5 10 DBBE NC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC1 1861030612 XHRSPUBVAHZUCE-LLVKDONJSA-N 320.305 -0.153 5 10 DBBE O=C(NCC(O)(CO)CO)c1ccc([N+](=O)[O-])c(Cl)c1 1913801002 WWFZMXFNQUCQLB-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE NCC1(O)CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 2154727193 WPTCGJUTPSLNTI-UHFFFAOYSA-N 301.324 -0.570 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 2157548567 UUWDJGAZSXFDFO-UHFFFAOYSA-N 322.730 -0.229 5 10 DBBE N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 2168119494 PYHFTCVRFVYOMP-WCBMZHEXSA-N 301.324 -0.323 5 10 DBBE O=[N+]([O-])c1c(N2CC3(C2)OC[C@H](O)[C@@H]3O)ccnc1Cl 2183646473 YCHRVXPRENPUBN-CBAPKCEASA-N 301.686 -0.046 5 10 DBBE COC[C@@H]1[C@H](O)[C@H](O)CN1c1nc(Cl)ncc1[N+](=O)[O-] 2234069552 RWXQONSQBJIVLN-PRJMDXOYSA-N 304.690 -0.405 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](N)[C@@H](C)O 80736661 NRADYYSEKGBVKK-BDAKNGLRSA-N 303.340 -0.110 5 10 DBBE NNc1cccc(C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 157138184 FQELXUCTUSJJOS-UHFFFAOYSA-N 314.323 -0.249 5 10 DBBE COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1NC(=O)NC1=O 270698979 YRVORWFHLXYXOA-VIFPVBQESA-N 322.277 -0.182 5 10 DBBE CNc1nccc(C(=O)N[C@@H](CF)C(=O)OC)c1[N+](=O)[O-] 572779908 YNORUVHLNLANID-ZETCQYMHSA-N 300.246 0.272 5 10 DBBE C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593566077 GJOMVAYBKHQCON-ZETCQYMHSA-N 323.352 -0.299 5 10 DBBE CS(=O)(=O)c1cccc(N[C@H]2CNC[C@@H]2O)c1[N+](=O)[O-] 699926056 SVRLXDPIKZHLRD-IUCAKERBSA-N 301.324 -0.257 5 10 DBBE CCOCCNC(=O)COC(=O)c1nn(C)cc1[N+](=O)[O-] 772061343 XNACUPVODPEDHN-UHFFFAOYSA-N 300.271 -0.362 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(N2CC[C@H](O)C2)CC1 1118794108 LIDNJVDMOCIXEH-JTQLQIEISA-N 309.326 -0.011 5 10 DBBE CCO[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1261816623 PWMDZPVVJTXYGC-POYBYMJQSA-N 318.311 -0.442 5 10 DBBE C[C@H]1CC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CN1 1329070514 RKOZXWBMBRYDPD-UWVGGRQHSA-N 324.341 -0.836 5 10 DBBE CNC(=O)CNCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1481998337 SKPWIWBAELIIGQ-VXGBXAGGSA-N 312.370 -0.384 5 10 DBBE CCN(CCNCCN1CCCC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1497390795 MDYSPAMNTQEEDX-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE Cn1cnc([N+](=O)[O-])c1N1CCS(=O)(=O)C[C@@H]1CCO 1559284664 MILKAWKEUDUSEQ-QMMMGPOBSA-N 304.328 -0.686 5 10 DBBE CS(=O)(=O)c1ccc(C(=O)Nn2cnnc2)c([N+](=O)[O-])c1 1597696634 OKHJYBJSZJQLAD-UHFFFAOYSA-N 311.279 -0.026 5 10 DBBE CONC(=O)CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 1687751122 VBYMRKWCYSXRNM-UHFFFAOYSA-N 311.298 -0.017 5 10 DBBE CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)n1 1721209168 KOFMKCQVQSDWGH-MWLCHTKSSA-N 324.341 -0.551 5 10 DBBE O=C(NCC(O)(CO)CO)c1cc(Cl)ccc1[N+](=O)[O-] 1913800275 FAQDYDXVSPDPSC-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N1CCOC[C@H]1[C@H](O)CO 2146323388 LAPMMLCJNQZEEV-NKWVEPMBSA-N 304.690 -0.403 5 10 DBBE O=[N+]([O-])c1ccc(F)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 2177837608 DDIGZJZEJFREDP-MNOVXSKESA-N 304.299 -0.019 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=N[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O 2177954215 IIAPYCGMPNKOBD-RDEUGQNKSA-N 303.702 -0.420 5 10 DBBE COC(=O)[C@@H](N)CS(=O)(=O)Cc1ccc([N+](=O)[O-])cn1 2195332794 AZSFSZDGZCCOCS-VIFPVBQESA-N 303.296 -0.595 5 10 DBBE C[C@@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CC(=O)N1 2206201666 SAIBRJVMMKAFIO-VIFPVBQESA-N 320.352 -0.205 5 10 DBBE O=[N+]([O-])c1cnc(F)[nH]c1=NCCS(=O)(=O)C(F)F 2224292459 JYZWQPILKBXXCO-UHFFFAOYSA-N 300.218 -0.005 5 10 DBBE Cc1nn(C)c(N[C@@H](CS(C)(=O)=O)C(=O)O)c1[N+](=O)[O-] 2360618650 BTJCNVVWTHRPMN-LURJTMIESA-N 306.300 -0.454 5 10 DBBE NNc1cccc(S(=O)(=O)N2CC[C@@H](CO)C2)c1[N+](=O)[O-] 126831301 UWIMOHFXJHBYLI-MRVPVSSYSA-N 316.339 -0.117 5 10 DBBE CNc1nc(C)c([N+](=O)[O-])c(NCCS(=O)(=O)NC)n1 231029655 NUIJJIQHTXJSQJ-UHFFFAOYSA-N 304.332 -0.304 5 10 DBBE CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])Cc1nnnn1C 341567933 QEKUWSOXGGELJB-UHFFFAOYSA-N 305.298 -0.151 5 10 DBBE O=C(C1CC1)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 548391198 KMMPYEFIJAFTOO-NSHDSACASA-N 308.294 -0.002 5 10 DBBE CN(C)CCCN(C)CCNC(=O)c1c([N+](=O)[O-])cnn1C 597990385 UQAVYBPHIXLQHE-UHFFFAOYSA-N 312.374 -0.058 5 10 DBBE O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 725373824 XELOHEJSGNQJJF-LDYMZIIASA-N 311.319 -0.039 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CNC[C@@H]32)n1 858613088 RXJAWQHGGNCIBM-SFYZADRCSA-N 301.328 -0.689 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CS(C)(=O)=O 1157828345 HDXQNCSCULWZMW-MRVPVSSYSA-N 305.312 -0.931 5 10 DBBE CCn1nc(C)c(Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)n1 1165482417 SBLJDTQTOHNXSZ-UHFFFAOYSA-N 306.282 -0.176 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](O)CS(C)(=O)=O)n1 1304258721 YYZGRLIKQGJBMA-VIFPVBQESA-N 317.323 -0.566 5 10 DBBE NC1=CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)N1 1439524740 HCJSSBREXTXFCV-UHFFFAOYSA-N 317.261 -0.662 5 10 DBBE C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C 1444422459 XRLXAVFJXSORKN-JOYOIKCWSA-N 322.369 -0.064 5 10 DBBE CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1535875131 AQJXOURKWOZUQG-NXEZZACHSA-N 305.356 -0.561 5 10 DBBE C[C@@](CO)(NC(=O)Cn1cnnn1)c1cccc([N+](=O)[O-])c1 1643600578 KPFSGPXGBFUNTA-LBPRGKRZSA-N 306.282 -0.395 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(Cc2ncnn2CCF)c1=O 1651746287 YHGLRSUENVZCLW-UHFFFAOYSA-N 310.245 -0.535 5 10 DBBE CO[C@@]1(CNc2c([N+](=O)[O-])cnn2C)CCS(=O)(=O)C1 1652249919 LVWZYOGPFAQYTP-SNVBAGLBSA-N 304.328 -0.056 5 10 DBBE CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 1867358720 VWFLSONLWRIZMS-IUCAKERBSA-N 322.321 -0.036 5 10 DBBE CN(CCS(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])c(N)n1 2151034772 TVIMFZHCERQNDT-UHFFFAOYSA-N 303.344 -0.100 5 10 DBBE C[C@@H]1CCN(CCn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)C1 2156824468 ODYPLLRAEOKSQJ-MRVPVSSYSA-N 303.344 -0.220 5 10 DBBE Cc1cccc(C(=O)NCCNS(N)(=O)=O)c1[N+](=O)[O-] 2157536707 IXTZYTIQJUGKHP-UHFFFAOYSA-N 302.312 -0.574 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@@H](O)CO)ccc1O 2182243896 BAAKMTXWXBQOHT-SSDOTTSWSA-N 306.296 -0.678 5 10 DBBE Cc1cc([N+](=O)[O-])c(N(C)CCS(N)(=O)=O)cc1NN 2206790124 OXUHTGUNCHGVCS-UHFFFAOYSA-N 303.344 -0.086 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NCC2(O)CSC2)c1 2267746138 FBEPYXORMIJONJ-UHFFFAOYSA-N 305.337 -0.254 5 10 DBBE O=[N+]([O-])c1ccc(NCC2(O)CS(=O)(=O)C2)c(CO)c1 2283074253 QAAKZCDTJNYMAQ-UHFFFAOYSA-N 302.308 -0.342 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 127057220 PLTVZUUJCHLDOZ-UHFFFAOYSA-N 303.300 -0.876 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](N)C(=O)O 323353458 BDCDNADCBUOSCJ-SSDOTTSWSA-N 303.296 -0.407 5 10 DBBE NCCN(CCO)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 564643854 APYTWFRHENFTGY-UHFFFAOYSA-N 312.326 -0.064 5 10 DBBE O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NC1CNC1 582350475 FNDTXCYPLNQVMI-UHFFFAOYSA-N 308.294 -0.822 5 10 DBBE CN(C)C[C@](C)(O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594766368 VCTOSIVOSQOCHA-LLVKDONJSA-N 318.355 -0.419 5 10 DBBE COCCOC[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599244197 XMJWZSKQVUHGCL-QMMMGPOBSA-N 322.343 -0.342 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)[C@H](O)CO 698916797 CMUAVTBRDDSBPB-QUBYGPBYSA-N 308.287 -0.246 5 10 DBBE NC[C@]1(CO)COCCN1C(=O)c1cc([N+](=O)[O-])cs1 703663722 UGCZMJKICAAUES-NSHDSACASA-N 301.324 -0.182 5 10 DBBE C[C@H]1CN(c2nc(NN)ccc2[N+](=O)[O-])CCS1(=O)=O 707401395 RCBXKFPQEUZWBN-ZETCQYMHSA-N 301.328 -0.101 5 10 DBBE C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 711092961 FXIGZOWSXZYROB-LURJTMIESA-N 303.296 -0.205 5 10 DBBE CNc1ncnc(NCCN(C)S(C)(=O)=O)c1[N+](=O)[O-] 822020316 PHWHJNDWEOVPFM-UHFFFAOYSA-N 304.332 -0.270 5 10 DBBE CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1136227215 CMJAXQFULHDSTR-NXEZZACHSA-N 305.356 -0.418 5 10 DBBE COc1ccc(CC(=O)N2C[C@@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] 1141988925 HYUDVDCFZHXLLF-CMPLNLGQSA-N 310.306 -0.043 5 10 DBBE C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 1296449133 VJRPZBAMZHOBSQ-SSDOTTSWSA-N 314.323 -0.169 5 10 DBBE CC(C)(CNC(=O)Cn1cc([N+](=O)[O-])cn1)CS(C)(=O)=O 1537752839 OGEJBZQMZQPXLA-UHFFFAOYSA-N 318.355 -0.022 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCNC1=O 1537839894 RNOAITUORHBTKE-UHFFFAOYSA-N 310.314 -0.369 5 10 DBBE Cn1cnnc1[C@H](CO)NC(=O)COc1ccc([N+](=O)[O-])cc1 1646082086 OAZWWCGXDVNJKR-NSHDSACASA-N 321.293 -0.048 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NCCN1CCS(=O)(=O)CC1 1650725819 FVYOEYBBEQUPGP-UHFFFAOYSA-N 303.344 -0.529 5 10 DBBE CCN(C(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 1716741361 WVOLVWSDDLFKSZ-CHWSQXEVSA-N 324.381 -0.195 5 10 DBBE O=C(NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(O)n1 1736905419 NGRSLEDEGCSGIG-PSASIEDQSA-N 308.294 -0.312 5 10 DBBE CN(C)C(=O)[C@@]1(F)CCN(C(=O)c2cnc([N+](=O)[O-])n2C)C1 1849013709 TYZFTRLSKNICLW-GFCCVEGCSA-N 313.289 -0.029 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 2157535877 ADIIRQOMWISSKL-UHFFFAOYSA-N 306.275 -0.743 5 10 DBBE NC(=O)[C@H]1C[C@@H](N)CN(c2nc(Cl)ncc2[N+](=O)[O-])C1 2162788561 ZBRVMUZRLATLSZ-NTSWFWBYSA-N 300.706 -0.323 5 10 DBBE O=[N+]([O-])c1c(F)ncnc1N1CC2(CNS(=O)(=O)C2)C1 2176111394 SJIDNKISVZZRGI-UHFFFAOYSA-N 303.275 -0.737 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)[nH]1 2177959568 RGYLFQGTQHERLV-SFYZADRCSA-N 302.312 -0.977 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2C[C@@H]3C[C@@H]3CO2)nc1[N+](=O)[O-] 2179428059 LSKGTAUSQHCOIV-RNJXMRFFSA-N 302.312 -0.136 5 10 DBBE O=C1CNCCN1CCOc1nc(Cl)ncc1[N+](=O)[O-] 2184613551 YZIPUQQOWALNCW-UHFFFAOYSA-N 301.690 -0.151 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 2207471504 QPUWAAORVABDFC-IONNQARKSA-N 302.312 -0.204 5 10 DBBE Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NCc1nnn[nH]1 50672830 JRPMSVYYIYHKJK-UHFFFAOYSA-N 317.262 -0.692 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCc1ncn[nH]1 80632942 VMZQRCRAFJFBEQ-UHFFFAOYSA-N 312.311 -0.184 5 10 DBBE CNS(=O)(=O)CCNC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 222180644 OYJBHZXQUSQSSL-UHFFFAOYSA-N 322.730 -0.078 5 10 DBBE CN(CCCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN 302528594 XFZFLWJVTDGULT-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE CN(C(CO)CO)S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 313445575 BGKHJMDZTDXIRG-UHFFFAOYSA-N 308.287 -0.292 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)NCC[C@@]1(O)CCOC1 593382326 UEQPOAYKJLYOKR-GFCCVEGCSA-N 313.314 -0.368 5 10 DBBE Cc1cc(C(=O)NCC(=O)N[C@H]2CCNC2=O)ccc1[N+](=O)[O-] 597856982 SMTQEZGQWMKLNO-JTQLQIEISA-N 320.305 -0.362 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)[C@@H](O)CO 698916789 CMUAVTBRDDSBPB-LDWIPMOCSA-N 308.287 -0.246 5 10 DBBE Cc1nc(N)nc(N2CC[C@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] 707429154 QVKCPHKZEDRAOF-LURJTMIESA-N 302.316 -0.857 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@H](O)[C@H](C)O)cc1[N+](=O)[O-] 717400057 BWOPZXGZEOHOJD-KWQFWETISA-N 304.324 -0.077 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CNC(N)=O)C1 1290956671 VOFLDFXECXXMCB-QMMMGPOBSA-N 310.314 -0.151 5 10 DBBE CNC[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1348110671 LDFOMOFICFXTAR-MRVPVSSYSA-N 303.344 -0.442 5 10 DBBE O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN([C@@H]2CCC[C@H]2O)CC1 1442799623 FYAYJQYEFXVGEH-MWLCHTKSSA-N 309.326 -0.011 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(C(N)=O)C1 1638288713 LXHYIKXLHYNDED-MRVPVSSYSA-N 310.314 -0.151 5 10 DBBE CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn[nH]1 1718126680 QKYUJGJESDPTQO-PSASIEDQSA-N 324.341 -0.316 5 10 DBBE CN(CCN(C)C(=O)C(C)(C)C(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1738359929 TWZRSFIBKWJRRA-RKDXNWHRSA-N 314.342 -0.920 5 10 DBBE O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCCO 1872607348 ABQYPZVSBOXGQB-UHFFFAOYSA-N 317.323 -0.628 5 10 DBBE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1CC([N+](=O)[O-])C1 1900052632 XBVZBZRRUKCOHC-IONNQARKSA-N 303.315 -0.252 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2COC[C@@H]2CO)c1 2146504393 LTYJGVYKSQMZIZ-GZMMTYOYSA-N 302.308 -0.120 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1COC[C@H]1N 2149985586 DQAIKSHVLXMKMI-ZJUUUORDSA-N 301.324 -0.092 5 10 DBBE N[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2149989080 SIOUOHKCDWUGHS-SFYZADRCSA-N 303.296 -0.695 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNCC(C)(C)NS(C)(=O)=O)n1 2159112247 AYPFZEYCYUEYSG-UHFFFAOYSA-N 305.360 -0.254 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NC2([C@@H](O)CO)CC2)c1 2190120326 XYXITBKMCJEWLX-VIFPVBQESA-N 303.296 -0.846 5 10 DBBE O=C(Nc1ccnc(Cl)c1[N+](=O)[O-])[C@@H]1NC[C@H](O)[C@@H]1O 2201150495 UEFLWUIRCGWDPD-BBVRLYRLSA-N 302.674 -0.725 5 10 DBBE C[C@H](CO)N(C)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 122571676 ZVJULJHYZWJTEP-SSDOTTSWSA-N 304.328 -0.118 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NCCN1CCOCC1 594745032 RUCUMTKUFFHVME-UHFFFAOYSA-N 316.339 -0.400 5 10 DBBE O=C1NCC[C@@H]1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 693858259 ZYSAUWLBOKGDRO-ZETCQYMHSA-N 303.271 -0.099 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(O)(c2cnnn2C)C1 1153119545 KSSPISOIBLKHGG-UHFFFAOYSA-N 306.282 -0.595 5 10 DBBE CN(C)CC1(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1297047267 LEOLJRXSLIWUIQ-GHMZBOCLSA-N 310.354 -0.680 5 10 DBBE CC(C)N(C)CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1356817625 RCCNWVMIBATGFQ-VXGBXAGGSA-N 312.370 -0.434 5 10 DBBE CC(C)(CCC(=O)NCCCN1C(=O)CNC1=O)[N+](=O)[O-] 1530713001 YQWLTKWLWDCAQQ-UHFFFAOYSA-N 300.315 -0.120 5 10 DBBE NC1=CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)N1 1617199732 IXCVZYDYFHLCIX-UHFFFAOYSA-N 315.293 -0.005 5 10 DBBE CN(C[C@H](O)CO)C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1623111754 UMYYQWJIVSNLNS-JTQLQIEISA-N 321.293 -0.399 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1 1653049924 GXLUMDRNDDXOHS-JTQLQIEISA-N 302.308 -0.270 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cc[nH]n1 1721700708 LDEGVIIMRJWDOP-GHMZBOCLSA-N 309.326 -0.466 5 10 DBBE COc1ccc(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1758929834 YSHDAQDFASNDNU-PSASIEDQSA-N 323.309 -0.661 5 10 DBBE CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860755116 QZBZTFXELPCPMK-UHFFFAOYSA-N 307.310 -0.226 5 10 DBBE C[C@H](O)[C@@H](NC(=O)C(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 1866062172 FCWOABDVVWXJAZ-WRWORJQWSA-N 310.262 -0.343 5 10 DBBE CN(CCN(C)S(C)(=O)=O)c1ncnc(N)c1[N+](=O)[O-] 2146935130 KCZBDSYDVGQLSS-UHFFFAOYSA-N 304.332 -0.705 5 10 DBBE NS(=O)(=O)c1cn(CCS[C@@H]2CCOC2)nc1[N+](=O)[O-] 2149128241 VVPBPVDSNHLUOF-SSDOTTSWSA-N 322.368 -0.039 5 10 DBBE O=[N+]([O-])c1c(NCC(CO)(CO)CO)nc2sccn12 2179739489 ZXVLFWSZBXHRGZ-UHFFFAOYSA-N 302.312 -0.321 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CN)CO 2182586422 SIDWRRLGDDAINF-ZETCQYMHSA-N 305.312 -0.799 5 10 DBBE Nc1cc(S(=O)(=O)N2CCNC(=O)CC2)ccc1[N+](=O)[O-] 132528332 DEXXJNWMKRQLHD-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCO[C@H](CO)C2)ccc1O 167325806 LFVIJIVKEMMALT-QMMMGPOBSA-N 318.307 -0.318 5 10 DBBE COC[C@@](C)(CCO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 272514802 RAXPMLQFJVPTJO-CYBMUJFWSA-N 313.310 -0.340 5 10 DBBE COC(=O)c1cc(C)nc(N2CC(=O)N(C)C(=O)C2)c1[N+](=O)[O-] 287033484 WFFDNLXURDEXKL-UHFFFAOYSA-N 322.277 -0.110 5 10 DBBE C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C1(S(C)(=O)=O)CC1 342686456 YCPMDQXJQXLAJL-MRVPVSSYSA-N 316.339 -0.127 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN2C(=O)OCC[C@H]2C1 494084727 CKIGJPBKOGYPAM-VIFPVBQESA-N 309.282 -0.156 5 10 DBBE NC[C@]1(CO)COCCN1C(=O)c1ccc([N+](=O)[O-])s1 694649550 UQHWSSDXXQOELX-NSHDSACASA-N 301.324 -0.182 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(CCN3)CC2)n1 1261791708 YNTSFSPILTWDRP-UHFFFAOYSA-N 315.355 -0.155 5 10 DBBE C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ncnn1C 1297473083 CCVNOCGBSDINLO-MRVPVSSYSA-N 306.282 -0.238 5 10 DBBE C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ncnn1C 1329225647 TUSLZMGLKGZRHU-LURJTMIESA-N 315.315 -0.504 5 10 DBBE CS(=O)(=O)CCCCCNC(=O)Cn1cnc([N+](=O)[O-])n1 1435964169 QRTOXVMNGUCCKG-UHFFFAOYSA-N 319.343 -0.483 5 10 DBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC/C=C\CO 1453109328 JAABKYLWDAXRDJ-UPHRSURJSA-N 319.273 -0.145 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCS(=O)(=O)CC1 1464782884 XBKRXSJHNRIDDB-UHFFFAOYSA-N 302.312 -0.643 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1n[nH]cc1F 1501852491 RCQDTRJBPGTJSE-LLKUCEORSA-N 311.273 -0.384 5 10 DBBE COC(=O)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCOC1 1607762340 STDKYBRVRZDYKU-JGVFFNPUSA-N 312.282 -0.127 5 10 DBBE O=C(NCCN1CCNC1=S)[C@H](O)c1cccc([N+](=O)[O-])c1 1648357651 VIFRISQNMJVCIE-LLVKDONJSA-N 324.362 -0.066 5 10 DBBE CC(=O)NCC(=O)NCC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1713882682 GUBABJPYHFJEAT-UHFFFAOYSA-N 324.341 -0.988 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1ccnc1 1746901159 XMXDWZUQNTUGKW-VXGBXAGGSA-N 323.353 -0.145 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC(OCCO)C2)c1 1965788885 OPLALDJEILIQEC-UHFFFAOYSA-N 303.296 -0.628 5 10 DBBE Cc1nc(Cl)[nH]c(=NCC2(C(N)=O)CNC2)c1[N+](=O)[O-] 2162353777 DKQASLIMAVXRKB-UHFFFAOYSA-N 300.706 -0.745 5 10 DBBE C[S@](=O)(CC1CNC1)=NC(=O)Cn1cc([N+](=O)[O-])cn1 2165755629 HFJGXRWLRZMHQY-FQEVSTJZSA-N 301.328 -0.365 5 10 DBBE Nc1ccc(S(=O)(=O)N2CC(F)(CO)C2)cc1[N+](=O)[O-] 2172924703 LZHMPRSSJGMZPS-UHFFFAOYSA-N 305.287 -0.118 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)c2n[nH]c(=N)s2)n1 2240627659 UQDATAONXKFRCP-UHFFFAOYSA-N 319.328 -0.929 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2289413788 RKKGMEIPKLCFEF-FWWHASMVSA-N 302.308 -0.558 5 10 DBBE NC(=O)c1ccc(NCCCS(N)(=O)=O)c([N+](=O)[O-])c1 44350710 KKEYNPGIVBFFNC-UHFFFAOYSA-N 302.312 -0.216 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 49102098 CRDZUIMJWLWQOI-ZCFIWIBFSA-N 317.327 -0.707 5 10 DBBE CNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC(N)=O)c1 50656385 FJKNKDNKVGXFAQ-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE CN(c1nc(NN)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 159223463 GBMBDJSBWMKPLY-ZETCQYMHSA-N 301.328 -0.101 5 10 DBBE NCc1nc(Cn2nc([N+](=O)[O-])nc2Br)no1 302436143 VMBBKEIXEHVEEL-UHFFFAOYSA-N 304.064 -0.161 5 10 DBBE Cc1nn(C)c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] 347987898 YETZQDXLHGULSN-NXEZZACHSA-N 309.326 -0.208 5 10 DBBE CCNC(=O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593534995 RYWSSFHZBOUGCX-UHFFFAOYSA-N 302.312 -0.254 5 10 DBBE C[C@H]1CC(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593552258 KFVAHKJFSVXVBV-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE CN1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCC1=O 594866573 WEJALBWWJGNXIU-UHFFFAOYSA-N 314.323 -0.157 5 10 DBBE CCOC(=O)C[C@@H](CO)NC(=O)c1nn(C)cc1[N+](=O)[O-] 597681596 VXLYWDSQRYNTKQ-ZETCQYMHSA-N 300.271 -0.628 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)OC(C)(C)C)n1 599237689 NOUJROWQDBRWJB-UHFFFAOYSA-N 320.327 -0.052 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](O)[C@@H](C)O 717400788 FOYDHOKJFLCHQG-SCZZXKLOSA-N 304.324 -0.077 5 10 DBBE CNS(=O)(=O)[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 1116459577 HTDAQTNAXSKZRJ-ZETCQYMHSA-N 317.327 -0.908 5 10 DBBE CC(C)(CCC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)[N+](=O)[O-] 1289436223 GBJXATPUSCRAAA-SECBINFHSA-N 307.372 -0.041 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cn1)N1CC2(C[C@@H](O)CNC2=O)C1 1303533386 MWZZAYYUAJMFCN-SECBINFHSA-N 306.278 -0.687 5 10 DBBE Cn1cnc([N+](=O)[O-])c1-c1noc([C@]23CNC[C@H]2COC3)n1 1326415194 ZXHVBOLZSXISFI-MADCSZMMSA-N 306.282 -0.134 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1C[C@H]2CCCCN2C1=O 1528070933 ACDKSLHERRMBNU-BDAKNGLRSA-N 308.298 -0.544 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1=COCCO1 1535255493 YIEIBJJOARDDIC-RKDXNWHRSA-N 311.294 -0.695 5 10 DBBE CN(CC(=O)N1C[C@@H](CO)[C@@H](O)C1)c1ccccc1[N+](=O)[O-] 1629601104 PIIMZQAINZEKNT-GWCFXTLKSA-N 309.322 -0.157 5 10 DBBE Cc1nnc(N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)n1C 1631743253 IWZMRVHKYQMVFQ-UHFFFAOYSA-N 320.313 -0.283 5 10 DBBE CN(C)C(=O)[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1642633910 DPJWLXXOUWZLAD-SNVBAGLBSA-N 322.321 -0.307 5 10 DBBE O=C1CN(C2CN(C(=O)c3ccc([N+](=O)[O-])c(F)c3)C2)CCN1 1891017439 PXCZYFZKVVFHQV-UHFFFAOYSA-N 322.296 -0.010 5 10 DBBE N=c1[nH]c(N2CC(NC(=O)C(F)(F)F)C2)ncc1[N+](=O)[O-] 1962043125 JVYJQGPNCJBVSC-UHFFFAOYSA-N 306.204 -0.336 5 10 DBBE N[C@H]1COCC[C@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2148815727 HXSPSJDOTBKWFC-VHSXEESVSA-N 302.312 -0.616 5 10 DBBE O=c1oc2ccc([N+](=O)[O-])cc2n1[C@H]1CS(=O)(=O)C[C@H]1O 37694408 GUJLWNAWGKKHCN-DTWKUNHWSA-N 314.275 -0.167 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCOCC2)c1 37929969 DTNFPMDZPCJDEI-UHFFFAOYSA-N 302.312 -0.099 5 10 DBBE CC(C)NC(=O)CNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126929629 OKPWOONHORQRHX-UHFFFAOYSA-N 316.339 -0.020 5 10 DBBE COC[C@H](O)CN(C)S(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126978118 DOSQIJZJRNBRFA-MRVPVSSYSA-N 319.339 -0.195 5 10 DBBE NNc1c(C(=O)N2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] 161557916 YSQWMAVITFQQMC-UHFFFAOYSA-N 314.323 -0.249 5 10 DBBE C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1 173828957 CUTCOEIDJSPATN-AAEUAGOBSA-N 323.353 -0.030 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C[C@H](C)O)CC2)n1 191896616 XCYQKUDMHKIJDG-JTQLQIEISA-N 311.342 -0.050 5 10 DBBE CCn1cncc1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 427795193 FYYSYNYQSSOISZ-UHFFFAOYSA-N 314.327 -0.014 5 10 DBBE O=C(NC1CN(C(=O)CCCn2ccnn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1297047076 HPDSOWJTWUWQNI-GHMZBOCLSA-N 322.325 -0.950 5 10 DBBE Cn1nnc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 1302424218 HZGHPXHVNFAHMS-GFCCVEGCSA-N 306.282 -0.244 5 10 DBBE O=[N+]([O-])c1c(N2CCN3[C@@H](CNS3(=O)=O)C2)ccnc1O 1472884811 QGXQAJTZLRFBHX-ZETCQYMHSA-N 315.311 -0.966 5 10 DBBE COC(=O)C1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 1652320227 GHYMUSIFIMLTOB-UHFFFAOYSA-N 315.307 -0.149 5 10 DBBE O=C(NC1(CCO)CN(C(=O)c2ccc[nH]2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1678389589 XGMQYMJXIGJZKD-MWLCHTKSSA-N 322.321 -0.627 5 10 DBBE COCCCN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1700490612 DKIMITXBOPXFGQ-GHMZBOCLSA-N 301.343 -0.759 5 10 DBBE C[C@@H](C[C@@H]1CCCS1(=O)=O)N=c1nc([N+](=O)[O-])[nH]n1C 2159180613 MFFZILXTNZKYPY-YUMQZZPRSA-N 303.344 -0.087 5 10 DBBE NC(=O)C1(NS(=O)(=O)c2ccc(N)cc2[N+](=O)[O-])CC1 2159812133 BLUUVQGPJXMRJM-UHFFFAOYSA-N 300.296 -0.527 5 10 DBBE CC(C)c1ncc([N+](=O)[O-])c(=NCCNS(N)(=O)=O)[nH]1 2281267169 SFMWWBITBDXCGA-UHFFFAOYSA-N 304.332 -0.865 5 10 DBBE Cc1cc(=NCCS(=O)(=O)CCO)[nH]c(C)c1[N+](=O)[O-] 2360984794 DYMHQSQDGLXZHP-UHFFFAOYSA-N 303.340 -0.152 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1nnn[nH]1 44930046 BRCMAFODQFVFLF-RXMQYKEDSA-N 314.283 -0.147 5 10 DBBE COC[C@@H](O)CNC[C@@H](O)Cn1nc(C)c([N+](=O)[O-])c1C 71272899 JIIDNJYCIQCZNI-MNOVXSKESA-N 302.331 -0.634 5 10 DBBE COC[C@H](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)OC 597889051 YBLLAWCVDMWHRD-NSHDSACASA-N 313.310 -0.076 5 10 DBBE O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCOC2(CNC2)C1 598915977 RTOLRQWXNNIEDP-UHFFFAOYSA-N 320.305 -0.266 5 10 DBBE O=C(c1cc(Cl)ncc1[N+](=O)[O-])N1CC(O)(C(=O)O)C1 706471655 PCJJKHXGAKIASR-UHFFFAOYSA-N 301.642 -0.085 5 10 DBBE C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 721729254 MNXRXJDDOCQSKN-LURJTMIESA-N 302.312 -0.329 5 10 DBBE O=Cc1ccc(OCC(=O)N[C@H]2CCNC2=O)c([N+](=O)[O-])c1 855143487 GVHAXZBBNAZRSY-VIFPVBQESA-N 307.262 -0.209 5 10 DBBE CCn1cncc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1=O 1130968123 OGBHPGUMJWBFRL-UHFFFAOYSA-N 319.277 -0.028 5 10 DBBE COC(=O)[C@]12C[C@H]1CCCN2C(=O)Cn1cnc([N+](=O)[O-])n1 1133969553 KQNKAYWFVYLFSQ-PELKAZGASA-N 309.282 -0.260 5 10 DBBE C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H]1CS(N)(=O)=O 1187758161 TYEHERBVWBZTFA-SFYZADRCSA-N 303.344 -0.311 5 10 DBBE COCCCCS(=O)(=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1320557077 JQLVTZLUDBCBQH-UHFFFAOYSA-N 320.327 -0.186 5 10 DBBE Cc1cc(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 1492298560 QKCYJEGJRXDIDI-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE CCn1nncc1CNCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1569201682 HHIUZIYERAMKDQ-VXGBXAGGSA-N 310.358 -0.099 5 10 DBBE C[S@](=O)CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1635500090 MNVZFFWBELKGFD-FQEVSTJZSA-N 301.324 -0.359 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCS(C)(=O)=O 1660138810 KJOYEVDEZAXOFB-NXEZZACHSA-N 307.372 -0.866 5 10 DBBE Cn1ncnc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 1666760018 SDMMTQVUNVIBEU-GHMZBOCLSA-N 322.369 -0.001 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncccn1 1721143590 KHXVWBHZARVELZ-NXEZZACHSA-N 307.310 -0.280 5 10 DBBE NC(=O)C1(C(=O)N(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)CC1 1759082683 ILAXRIMNCUITNK-NXEZZACHSA-N 324.337 -0.976 5 10 DBBE NC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)COC1 2151384363 LWXLVBOYPLCDFK-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COC[C@@H]2O)cn1 2154108188 HIAGQBJVFMBQAD-CBAPKCEASA-N 303.296 -0.725 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@H](O)C[C@H]2O)cn1 2164981107 QTOBEWHHXFQMSZ-NBEYISGCSA-N 303.296 -0.848 5 10 DBBE CCCS(=O)(=O)CCN=c1[nH]c(=N)[nH]c(C)c1[N+](=O)[O-] 2204664147 GNHYLCCCQUMADK-UHFFFAOYSA-N 303.344 -0.236 5 10 DBBE CO[C@H](CN)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2365416618 VZWFUYHAMHZOTD-SSDOTTSWSA-N 305.312 -0.448 5 10 DBBE CNc1ccc([N+](=O)[O-])cc1C(=O)NCCS(N)(=O)=O 48446578 LURLEAFFXNGQBX-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1COC[C@@H]1O 323116904 JNVSSDQKKGHBLS-ZJUUUORDSA-N 302.308 -0.059 5 10 DBBE C[C@H]1CN(CCO)CCN1C(=O)N=c1cc[nH]cc1[N+](=O)[O-] 455032906 KLJBZABIUSACOK-JTQLQIEISA-N 309.326 -0.058 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O 599285982 CJVGQEKJHIMJCG-ZETCQYMHSA-N 317.327 -0.773 5 10 DBBE CNC[C@H](O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 708891715 AOUZXILFGLNKIW-JTQLQIEISA-N 303.340 -0.204 5 10 DBBE COCCN(CCC(=O)OC)C(=O)c1nn(C)cc1[N+](=O)[O-] 772916072 BMPAZOYWLLIWTA-UHFFFAOYSA-N 314.298 -0.020 5 10 DBBE O=C(NC/C=C/CO)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1146722011 ZVXQNDDWGWRCME-OWOJBTEDSA-N 304.266 -0.151 5 10 DBBE CN(C)CC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1284053128 UJEZPQPWNPKRKH-DDHJBXDOSA-N 324.381 -0.243 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccncn1 1285367402 IOMPPCWRASNAGH-MWLCHTKSSA-N 307.310 -0.328 5 10 DBBE Cc1nccn1CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1285543453 HLQLOVJUBJGOPA-JDEDCZITSA-N 321.337 -0.355 5 10 DBBE COC1(OC)CCOC[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 1453773707 ZGSMWAKHDNLLCS-VIFPVBQESA-N 314.298 -0.315 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C1 1455094232 NDEJZMGEYQDFEU-UHFFFAOYSA-N 310.262 -0.037 5 10 DBBE Cn1ncc(CCCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)n1 1637778132 KXEDNBOAGNJIHH-UHFFFAOYSA-N 320.309 -0.366 5 10 DBBE COC[C@@]1(CO)CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 1642700518 ZFZJRHHFFDAHSF-ZDUSSCGKSA-N 310.310 -0.076 5 10 DBBE COCC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1677987236 BXQHIBQTNNCGNZ-NXEZZACHSA-N 301.343 -0.101 5 10 DBBE NC(=O)CC(=O)NCC1(O)CN(Cc2ccc([N+](=O)[O-])cc2)C1 1699909845 CDAINNRNZPIINR-UHFFFAOYSA-N 322.321 -0.867 5 10 DBBE CN(C)CCC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1737526897 FREKTDRPBNQFKX-HMUNZLOLSA-N 310.354 -0.824 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1COC[C@@H]1CO 2146505673 RHVHWPOKAVBAML-IUCAKERBSA-N 302.308 -0.120 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@@H]2CNC[C@H]2S(C)(=O)=O)[nH]1 2239243755 FXLUNWVCJOOTRR-VXNVDRBHSA-N 303.344 -0.970 5 10 DBBE CN(C)S(=O)(=O)CCNc1cc([N+](=O)[O-])cc(NN)n1 231021547 XSCOAFMXQFOIFJ-UHFFFAOYSA-N 304.332 -0.421 5 10 DBBE NC(=O)CN(CC(N)=O)c1cc(C(=O)O)sc1[N+](=O)[O-] 404351013 JFGJLYXNJLYYAK-UHFFFAOYSA-N 302.268 -0.869 5 10 DBBE Nc1nccc(C(=O)NC[C@H]2CCCCN2CCO)c1[N+](=O)[O-] 563406403 CUUVBUFPURSETB-SNVBAGLBSA-N 323.353 0.149 5 10 DBBE CNc1nccc(C(=O)N2CCN(C3CC3)C(=O)C2)c1[N+](=O)[O-] 570825615 VJHGLUYQWFIKBO-UHFFFAOYSA-N 319.321 0.478 5 10 DBBE O=C1NCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593539074 SSRUTMVCRZKTAY-QMMMGPOBSA-N 300.296 -0.453 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCN1C1CCOCC1 1289227860 XYSXEDYLBXPMAP-LLVKDONJSA-N 324.341 -0.444 5 10 DBBE CC(=O)N1CCC[C@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 1344008590 XZEJRJSIINZCEC-JTQLQIEISA-N 311.298 -0.012 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCCc1nnc(C)n1C 1467243988 FWZUGLBAAATQHU-UHFFFAOYSA-N 307.314 -0.104 5 10 DBBE COc1cc(C(=O)N2CC(O)(C(N)=O)C2)cc([N+](=O)[O-])c1C 1470772867 ROMKSIZSFSKYSE-UHFFFAOYSA-N 309.278 -0.416 5 10 DBBE C[C@H](O)[C@H](O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 1557730712 OAOAICNTSKDPIF-QPUJVOFHSA-N 308.294 -0.198 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 1558636084 MPJUUBNMIKTGNS-NSHDSACASA-N 316.335 -0.341 5 10 DBBE C[C@](CO)(NCCNS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 1620495113 GFNSJLVAQROBOU-GFCCVEGCSA-N 317.367 -0.059 5 10 DBBE Cn1cc([C@H]2CS(=O)(=O)CCCN2CC[N+](=O)[O-])cn1 1620584142 IZXJALFNGOHHQB-LLVKDONJSA-N 302.356 -0.142 5 10 DBBE CC1=NNC(=O)[C@H]1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1627152474 GTTAWKWITVPBEM-VIFPVBQESA-N 321.293 -0.615 5 10 DBBE COCC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1718124631 VASAZFKEKXHWDZ-NXEZZACHSA-N 301.343 -0.101 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NCCN(C)S(=O)(=O)CC)[nH]1 2238982063 CCPSFLSZRKMYSR-UHFFFAOYSA-N 305.360 -0.074 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@@H](N)[C@H](C)O)cc1[N+](=O)[O-] 80748766 HRGJJJBZRCUWCE-WCBMZHEXSA-N 303.340 -0.110 5 10 DBBE Nc1c(Cl)cc(C(=O)N2CC(=O)NC(=O)C2)cc1[N+](=O)[O-] 97289552 JBDGXAMFLGAGHK-UHFFFAOYSA-N 312.669 -0.071 5 10 DBBE Nc1cccc(S(=O)(=O)NC[C@@H]2COCCO2)c1[N+](=O)[O-] 126940451 DXLROJGOXXSPNT-MRVPVSSYSA-N 317.323 -0.129 5 10 DBBE CNc1c(C(=O)N2CC[C@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] 319202849 OJAJAEIEWZRUIT-CYBMUJFWSA-N 308.294 -0.301 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC1=O 599281584 KIIGRRUMBOLRMZ-SSDOTTSWSA-N 302.312 -0.072 5 10 DBBE NNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NN1CCC1 686790293 AEKMACGJYNOYHX-UHFFFAOYSA-N 305.291 -0.082 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CN2CCC[C@H]2CO1 1318164675 LWTDLCNMOQGDOQ-VHSXEESVSA-N 310.314 -0.834 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCO[C@H](CN)C2)n1 1331534595 VRJWBCBXAYPSGI-MRVPVSSYSA-N 319.343 -0.933 5 10 DBBE CS(=O)(=O)CCCN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1480139468 VUJFYBYPWDLHIG-GWOFURMSSA-N 319.383 -0.677 5 10 DBBE O=C(CC1OCCCO1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1522892992 SBWBVCYBZVEPPG-NXEZZACHSA-N 315.326 -0.573 5 10 DBBE CN(CCNC(=O)C(C)(C)c1cnc[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1528435992 VUICWLBQZWHPHS-NXEZZACHSA-N 323.353 -0.073 5 10 DBBE NC(=O)N1CCC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 1556881525 RZNBUHYGYFXUDT-VIFPVBQESA-N 310.314 -0.302 5 10 DBBE Cc1nn(C)cc1CCC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1575139098 DBKKJSKSQGJJOL-VXGBXAGGSA-N 323.353 -0.441 5 10 DBBE O=Cc1ccc(OCC(=O)N2C[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 1638814453 LUZIKSYNDRYBDV-CMPLNLGQSA-N 324.289 -0.402 5 10 DBBE Cc1cnn(CCC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1736928618 VSKPHQGOISYCTH-VXGBXAGGSA-N 323.353 -0.131 5 10 DBBE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC([N+](=O)[O-])C1 1890319311 XDCUTBYGRPTYEO-SECBINFHSA-N 303.315 -0.250 5 10 DBBE Cc1ccc(S(=O)(=O)NCC[C@@H](O)CO)cc1[N+](=O)[O-] 1963059375 OYPLAXIANLDHSP-SECBINFHSA-N 304.324 -0.075 5 10 DBBE C[C@H](O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@H](O)[C@H]2CO)s1 2201009543 XNXVOXRRFNHDAL-LHGNLISDSA-N 304.324 -0.388 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N=c1nc[nH]s1 2240951081 DKJJYARVZDEDBF-UHFFFAOYSA-N 316.324 -0.045 5 10 DBBE NC1CN(S(=O)(=O)Nc2ncc([N+](=O)[O-])cc2Cl)C1 2272894900 YVTBFLYRHUDQKB-UHFFFAOYSA-N 307.719 -0.057 5 10 DBBE CCNC(=O)COc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-] 215828165 MPWFTVGVBKMJMT-UHFFFAOYSA-N 321.286 -0.104 5 10 DBBE CNC(=O)CCOc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-] 215828704 IPLBADLNARYQMJ-UHFFFAOYSA-N 321.286 -0.104 5 10 DBBE O=C(O)c1cc([N+](=O)[O-])cnc1N1CCS(=O)(=O)CC1 236452849 OGSAROAYPMNASZ-UHFFFAOYSA-N 301.280 -0.077 5 10 DBBE O=C(NC(CO)(CO)CO)c1c(Cl)cccc1[N+](=O)[O-] 236490277 IMFRJVLFHCNZEC-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE NC(=O)[C@@]1(O)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 276180351 ANCBZGAGMXVQHL-CQSZACIVSA-N 307.306 -0.024 5 10 DBBE CN(C[C@@H](O)CN)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 313129064 DFOJAMLQGOFPGP-ZETCQYMHSA-N 305.312 -0.760 5 10 DBBE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 416301682 VNWHFLYAIQXYAM-MNOVXSKESA-N 311.342 -0.295 5 10 DBBE C[C@H](N)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 595108180 IVEJIDGZRWDSFI-WCBMZHEXSA-N 316.339 -0.274 5 10 DBBE CN(CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 599223021 GDVKSCHQVHJLEI-UHFFFAOYSA-N 303.344 -0.299 5 10 DBBE Nc1ncc([N+](=O)[O-])c(N2CCC[C@@H](S(N)(=O)=O)C2)n1 707384715 KOIVBQAQOWWHBJ-ZCFIWIBFSA-N 302.316 -0.776 5 10 DBBE CC(C)NS(=O)(=O)NCCNc1c([N+](=O)[O-])cnn1C 1186094804 GYKIJNAUDKMFSU-UHFFFAOYSA-N 306.348 -0.427 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCN(C=O)CC2)n1 1328757480 ZOYNDKGKZWJDPB-UHFFFAOYSA-N 317.327 -0.819 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(Cn2ccnn2)CC1 1341067678 RPGINXNODPABTM-UHFFFAOYSA-N 320.313 -0.283 5 10 DBBE CCCCOCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1348295168 KMNDZGIFNJOQRX-UHFFFAOYSA-N 320.327 -0.050 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CN1CCCC1 1496740241 XRABWOZGFBUDCX-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE Nc1nccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] 1558548554 DAGCBTVWBDVYOT-MRVPVSSYSA-N 307.310 -0.225 5 10 DBBE Cc1cc(=O)n(CC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] 1559387454 WONPXMHPPCBAGP-UHFFFAOYSA-N 301.324 -0.044 5 10 DBBE O=C1NC[C@H](O)CC12CCN(c1ncc([N+](=O)[O-])cn1)CC2 1643262212 SWXBMDNHKOFFNB-SNVBAGLBSA-N 307.310 -0.148 5 10 DBBE Cc1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc(C)n1 1703364495 WKWNJLWLXGMNHK-ZYHUDNBSSA-N 321.337 -0.005 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CN1CCCC1 1758369879 VJDXOAMUYPSZNB-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE CN(c1ncc([N+](=O)[O-])cc1C(=O)O)C1CS(=O)(=O)C1 2152247233 WKIGIXJPNRRHRF-UHFFFAOYSA-N 301.280 -0.079 5 10 DBBE CO[C@@H]1C[C@H]1NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 2188224166 VHCPCQYQJYGDLN-HTQZYQBOSA-N 302.312 -0.054 5 10 DBBE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(O)n[nH]1 2199525329 OPALYJGSRDHGLO-UHFFFAOYSA-N 300.256 -0.199 5 10 DBBE CNCc1cc([N+](=O)[O-])ccc1O[C@H]1CS(=O)(=O)C[C@@H]1O 37710081 ZLHCKHGSGBYUQX-JQWIXIFHSA-N 316.335 -0.149 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NOCC(=O)O 70185939 GZKMVKKNXTZTPD-UHFFFAOYSA-N 306.252 -0.102 5 10 DBBE O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(O)C1 227247591 UDAYLTNLTVHTML-UHFFFAOYSA-N 302.264 -0.342 5 10 DBBE Nc1cc(S(=O)(=O)N[C@@H]2CNC(=O)C2)ccc1[N+](=O)[O-] 229364126 UXQPRPIWDIHFGF-LURJTMIESA-N 300.296 -0.656 5 10 DBBE O=C(C[S@@](=O)C[C@@H](O)CO)Nc1ccc([N+](=O)[O-])cc1 526883579 DENOBZRCVNAISW-FVINQWEUSA-N 302.308 -0.365 5 10 DBBE CC(C)OC(=O)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599208576 JFQUPBIKIANOSI-UHFFFAOYSA-N 320.327 -0.052 5 10 DBBE CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599327382 GKZRUXOASZDJFO-ZETCQYMHSA-N 319.343 -0.480 5 10 DBBE Nc1cc(N2CCN3C(=O)NC[C@H]3C2)cc(CO)c1[N+](=O)[O-] 612401425 SXGCMOZGNKEJTJ-JTQLQIEISA-N 307.310 -0.117 5 10 DBBE CN(CCNc1cc([N+](=O)[O-])cc(NN)n1)S(C)(=O)=O 692466506 LLMAHOUPKMRARF-UHFFFAOYSA-N 304.332 -0.421 5 10 DBBE CCNC(=O)CN1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1265192320 XIHCPCIZCCUWAY-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE CCOCC1(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1284900464 MGZBTAKLXNYOCT-GHMZBOCLSA-N 311.338 -0.205 5 10 DBBE CCCn1ncnc1CNCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1317584458 BZONDJHUQVFRMM-GHMZBOCLSA-N 310.358 -0.099 5 10 DBBE Cc1nc(S(=O)(=O)N2CCN(CC[N+](=O)[O-])CC2)cn1C 1473224867 RNMPTPMCFNOISA-UHFFFAOYSA-N 317.371 -0.688 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1c[nH]nc1C 1496739802 OIKIMXHDOZSAJL-MWLCHTKSSA-N 309.326 -0.038 5 10 DBBE O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1C[C@@H](O)[C@H](CO)C1 1570213305 BAHZOVSYGQRYQW-WCBMZHEXSA-N 310.262 -0.251 5 10 DBBE COC(=O)[C@](C)(CO)NC(=O)CCn1cc([N+](=O)[O-])nc1C 1570231030 JEPZIUFOBXGNPS-LBPRGKRZSA-N 314.298 -0.470 5 10 DBBE O=C(NC(CO)CO)c1ccc2c(c1[N+](=O)[O-])OCCCO2 1623311336 LMMMFFNELPHSNW-UHFFFAOYSA-N 312.278 -0.161 5 10 DBBE O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])s1 1627707693 TYUZRAMKDBJQQN-SNVBAGLBSA-N 320.348 -0.064 5 10 DBBE Nc1ncc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] 1635983153 YVASGXLEUOWAMJ-GHMZBOCLSA-N 321.337 -0.147 5 10 DBBE CN(CCCNC(=O)[C@@H]1[C@H]2COC[C@H]21)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737194291 NNXGHTOXSCPYKT-ZIQFBCGOSA-N 311.338 -0.491 5 10 DBBE C[C@@H](CS(=O)(=O)N(C)C)N=c1[nH]c(F)ncc1[N+](=O)[O-] 2151145868 VCYRPJUHLSQSAJ-LURJTMIESA-N 307.307 -0.362 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1[C@H]1CCCNC1=O 2156819592 CXQSZGZDSYBSCM-LURJTMIESA-N 303.300 -0.802 5 10 DBBE CO[C@H]1C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 2188223183 STHIOTLFDIJJHR-WPRPVWTQSA-N 302.312 -0.054 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1cc([N+](=O)[O-])cc(F)n1 2192657061 MRSMJGKCLAXNOM-JGVFFNPUSA-N 304.303 -0.074 5 10 DBBE NS(=O)(=O)c1cn(C[C@H]2C[C@]23CCOC3)nc1[N+](=O)[O-] 2198343337 YUJAXDAMDHHTSU-XCBNKYQSSA-N 302.312 -0.135 5 10 DBBE O=C(O)[C@H]1CN(c2ncncc2[N+](=O)[O-])CCS1(=O)=O 2235286338 VNERFRXOVUXHBT-SSDOTTSWSA-N 302.268 -0.927 5 10 DBBE NC[C@@H](CO)NS(=O)(=O)c1c(F)ccc([N+](=O)[O-])c1F 2235877172 SFPSDIRSBHZDMR-YFKPBYRVSA-N 311.266 -0.529 5 10 DBBE NC(CO)(CO)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl 2286192675 CHCLYCDXFULXNB-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE CCCNc1nccnc1S(=O)(=O)N1CC([N+](=O)[O-])C1 2286429955 AFWFJHGTUBBOTK-UHFFFAOYSA-N 301.328 -0.052 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOC1CNC1 2362423117 MDGKNLOKQOAFJH-UHFFFAOYSA-N 301.324 -0.139 5 10 DBBE CS(=O)(=O)CCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 37751090 UFIKZPCWMDYUKX-UHFFFAOYSA-N 323.352 -0.500 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 50674462 NQOPXXAQRPEEEV-ZCFIWIBFSA-N 302.312 -0.410 5 10 DBBE CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 360153968 MKEMMRZPCYTSEL-YFKPBYRVSA-N 309.325 -0.959 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)n1 599390968 HGEJAZVOXRRYTG-DTWKUNHWSA-N 320.327 -0.854 5 10 DBBE CN(C)C(=O)OCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 849446680 ZLAJJDKRWYJGAI-UHFFFAOYSA-N 318.311 -0.034 5 10 DBBE COCCNC(=O)C1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 1129536421 IIFWFQVLRGGEGR-UHFFFAOYSA-N 311.298 -0.797 5 10 DBBE CN1CCN(C)[C@@H](CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 1465079303 DDTRWYOBIHRWGQ-JTQLQIEISA-N 308.342 -0.452 5 10 DBBE CS(=O)(=O)[C@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 1536242575 XKVXRTIBYICDGC-CZMCAQCFSA-N 316.339 -0.127 5 10 DBBE CC(C)NC(=O)CN1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 1672417009 WMQDKQHBCJMNGX-YVECIDJPSA-N 324.381 -0.434 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(CC)n1 1688397844 MWYJIWRTOKCNMA-MWLCHTKSSA-N 324.341 -0.459 5 10 DBBE COC1(CO)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 2157307425 HTEQUBMEBMXKAJ-UHFFFAOYSA-N 302.308 -0.023 5 10 DBBE NNc1ccc(S(=O)(=O)NC[C@H]2CCO2)c([N+](=O)[O-])c1 2189564349 RCKSRYOXCUTDID-MRVPVSSYSA-N 302.312 -0.052 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NOCC(=O)O 70186485 IWBJDLDCFLOQKI-UHFFFAOYSA-N 306.252 -0.102 5 10 DBBE O=C(O)[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 90364636 BXDZTGRULZEYEK-ZJUUUORDSA-N 316.291 -0.027 5 10 DBBE Cn1cnnc1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 132035802 MUCQFHQYQZLPST-UHFFFAOYSA-N 312.311 -0.216 5 10 DBBE O=CN1CCN(C(=O)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 170317099 FFHNJXNCVXIFMU-UHFFFAOYSA-N 306.278 -0.166 5 10 DBBE Cn1cc(CCn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)cn1 230938169 WJEMZRWAQSIWBQ-UHFFFAOYSA-N 300.300 -0.585 5 10 DBBE CC(C)[C@@H]1CNCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599100898 JJEYSZDWRANQPZ-VIFPVBQESA-N 317.371 -0.053 5 10 DBBE CN(C(=O)COC(=O)[C@@H]1CNC(=O)N1)c1ccc([N+](=O)[O-])cc1 732361983 RTHQWYREAOGOMY-JTQLQIEISA-N 322.277 -0.218 5 10 DBBE NC(=O)C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 863483372 NUIXWDGUIUDBQT-YPMHNXCESA-N 323.305 -0.269 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@H](O)[C@H](CO)C1 1299450150 KMPUWTNXOUJAQW-WDSKDSINSA-N 304.690 -0.213 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCN1C(=O)CCC1=O 1464844760 DEZHVRBVLWIHOO-UHFFFAOYSA-N 323.309 -0.245 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@H](O)C(F)(F)C1 1645080777 FFUDKHSDBQVRHH-SNVBAGLBSA-N 317.248 -0.015 5 10 DBBE Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cnn1 1705259750 QCGLXEWATLCZOY-GHMZBOCLSA-N 319.321 -0.171 5 10 DBBE NS(=O)(=O)NCCN=c1[nH]c2c([N+](=O)[O-])cccc2o1 2157534918 OXNYWUOTSXZSIE-UHFFFAOYSA-N 301.284 -0.637 5 10 DBBE CCS(=O)(=O)NC1CN(c2nc(F)ncc2[N+](=O)[O-])C1 2165570699 VAVZPBZKLKRBJP-UHFFFAOYSA-N 305.291 -0.348 5 10 DBBE O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC(O)(CO)C1 2171960038 OGNWVENPTXRQEO-UHFFFAOYSA-N 322.726 -0.024 5 10 DBBE CO[C@@H]1C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 2188223178 STHIOTLFDIJJHR-PSASIEDQSA-N 302.312 -0.054 5 10 DBBE COC(=O)[C@H](N)CS(=O)(=O)Cc1ccc([N+](=O)[O-])cn1 2195332793 AZSFSZDGZCCOCS-SECBINFHSA-N 303.296 -0.595 5 10 DBBE NNc1cc(N2CC[C@@H](S(N)(=O)=O)C2)ccc1[N+](=O)[O-] 2234456310 BZUBVVAHMSGUOO-MRVPVSSYSA-N 301.328 -0.252 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC[C@H](F)C2)cn1 2234651989 RZJOQRVKZRVHRJ-SFYZADRCSA-N 304.303 -0.032 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]1[C@@H](O)CO 2286221366 RXXVKUWJCJOCSK-SCZZXKLOSA-N 302.308 -0.289 5 10 DBBE CCS(=O)(=O)CCN=c1[nH]c(COC)ncc1[N+](=O)[O-] 2286630656 KYHVIFVYDNQZFK-UHFFFAOYSA-N 304.328 -0.200 5 10 DBBE CS(=O)(=O)C[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1O 2360522588 MVFPAMIJUNWQKJ-ZETCQYMHSA-N 303.296 -0.389 5 10 DBBE NS(=O)(=O)CCNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2 36745925 GZTPMSZTJQQJDR-UHFFFAOYSA-N 300.296 -0.210 5 10 DBBE COC[C@](C)(CCO)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 132556294 IOUKHTYLLLRPDW-RYUDHWBXSA-N 302.331 -0.471 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCOC(N)=O)c1 135246909 WWFGCNKHGFUVCO-UHFFFAOYSA-N 319.299 -0.746 5 10 DBBE CNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 216100009 HEGPMNNXCKYFLF-LURJTMIESA-N 303.296 -0.245 5 10 DBBE CN(C)CCN(C)CCCNC(=O)c1nn(C)cc1[N+](=O)[O-] 290573975 GXHAHRXZVHXNNR-UHFFFAOYSA-N 312.374 -0.058 5 10 DBBE NC(=O)c1cn(C2CN(C(=O)c3cccc([N+](=O)[O-])c3)C2)nn1 354685051 AKDSSYWREPQFDR-UHFFFAOYSA-N 316.277 -0.018 5 10 DBBE NC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 595107377 BYDBKGRVYYHFCM-SECBINFHSA-N 302.312 -0.662 5 10 DBBE CCN1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O 599320128 CDMCITRFORTCON-ZETCQYMHSA-N 317.327 -0.773 5 10 DBBE C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)CO 698919615 PDSSPVOKKKOIPD-MUWHJKNJSA-N 308.287 -0.246 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CNC[C@@H]1O 699961772 GZXMJPRNAKEBKJ-SCZZXKLOSA-N 301.324 -0.486 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)cn1 706680691 MODIOGDVKYQUBS-IUCAKERBSA-N 303.296 -0.582 5 10 DBBE C[C@H](O)[C@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 717413489 DCXZZQABCCMFOD-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE NC(=O)c1ccnc(N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 1145303522 AZZHKCZPERPTAV-UHFFFAOYSA-N 300.296 -0.677 5 10 DBBE COC[C@H](CO)NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1297280358 FNEGJZUMXYOTMM-JTQLQIEISA-N 321.293 -0.087 5 10 DBBE CCOCCNC(=O)Cn1cc([N+](=O)[O-])c(C(=O)OC)n1 1307387613 NHHAVIBCJQRQLV-UHFFFAOYSA-N 300.271 -0.269 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@](O)(C(F)F)C2)c1 1307781215 WNANREYTNZVOAO-GXSJLCMTSA-N 306.269 -0.146 5 10 DBBE CN(Cc1cnccn1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331340701 SEOHUFASIDAXHL-UHFFFAOYSA-N 312.311 -0.061 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(N2CC[C@H](O)C2)CC1 1470287379 XFCNJSMOTMOBIJ-NSHDSACASA-N 324.341 -0.756 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 1471028687 DCZPRPCVKXOPSC-STQMWFEESA-N 321.293 -0.547 5 10 DBBE Cc1[nH]nc(C(=O)NCC2CN(S(C)(=O)=O)C2)c1[N+](=O)[O-] 1634727928 VDEATYDKTSXQOX-UHFFFAOYSA-N 317.327 -0.752 5 10 DBBE CCOC(=O)[C@](C)(O)CNC(=O)Cn1c([N+](=O)[O-])cnc1C 1638086616 HFWVAZMUHMZGHQ-GFCCVEGCSA-N 314.298 -0.470 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(CO)COCCN1 1642785009 WHEMWYNYZDUJNX-CQSZACIVSA-N 309.322 -0.016 5 10 DBBE C[C@@](C(=O)O)(C1CNC1)n1nc([N+](=O)[O-])nc1Br 1919774142 GKKXREYLDNKALW-QMMMGPOBSA-N 320.103 -0.032 5 10 DBBE CCNc1ncnc(N[C@H](C)CS(N)(=O)=O)c1[N+](=O)[O-] 2152950767 ACGVFJGEDKMCKX-ZCFIWIBFSA-N 304.332 -0.095 5 10 DBBE CN(C)S(=O)(=O)C1CN(c2[nH]c(=N)ccc2[N+](=O)[O-])C1 2187305512 NVUSRMRIMIYAMU-UHFFFAOYSA-N 301.328 -0.518 5 10 DBBE O=Cc1cc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])s1 2289402520 IEGSUQVSVBCMKD-JMOVZRAMSA-N 302.308 -0.381 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1c2ccccc2C[C@H]1O 340237725 VUYUYFWJBCQFIV-PWSUYJOCSA-N 303.278 -0.039 5 10 DBBE NC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 595107382 BYDBKGRVYYHFCM-VIFPVBQESA-N 302.312 -0.662 5 10 DBBE COC[C@@]1(C(=O)OC)CCCN1c1ncc([N+](=O)[O-])c(N)n1 596408977 KXWWJDXWAXXRIS-GFCCVEGCSA-N 311.298 0.125 5 10 DBBE CN(C)S(=O)(=O)N1CC(Nc2ncc([N+](=O)[O-])cn2)C1 599182555 MYDHLFGXFWOFPC-UHFFFAOYSA-N 302.316 -0.713 5 10 DBBE COCCN(CCOC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599202321 AZMWVHGUIPNZNZ-UHFFFAOYSA-N 322.343 -0.388 5 10 DBBE C[C@H]1CC(=O)NCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599244282 YYXNGDWHKVAYPV-ZETCQYMHSA-N 317.327 -0.773 5 10 DBBE CN(Cc1cc[nH]n1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599245948 WWADUFWZGOIMKL-UHFFFAOYSA-N 300.300 -0.128 5 10 DBBE CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc([N+](=O)[O-])o2)C1 600709994 MDHDPLMPGUMKOS-UHFFFAOYSA-N 318.311 -0.592 5 10 DBBE C[C@H](O)[C@H](O)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722282882 QZSNNKNBEKOLJX-QUBYGPBYSA-N 305.312 -0.803 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1N 1118866170 WTQOHTKHJSGBSN-YUMQZZPRSA-N 303.344 -0.314 5 10 DBBE COCCCN(CCO)C(=O)Cn1c([N+](=O)[O-])cnc1C 1138298535 VBLQPMQEVMFLOJ-UHFFFAOYSA-N 300.315 -0.043 5 10 DBBE O=C(NC(CO)CO)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 1151314540 LWPNQWWUJLDVCJ-UHFFFAOYSA-N 306.278 -0.137 5 10 DBBE CNC(=O)CN(CC(=O)NC)Cc1ccc(OC)c([N+](=O)[O-])c1 1175898468 RAIZTLZEBBEXMS-UHFFFAOYSA-N 324.337 -0.103 5 10 DBBE CS(=O)(=O)NC[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 1175954972 GIKSPACHLYVDTF-SNVBAGLBSA-N 317.371 -0.338 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)CC2OCCO2)n1 1176629962 BQHVKNXHQBEHSY-ZETCQYMHSA-N 300.271 -0.818 5 10 DBBE Cc1cnn(CC(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1283538671 DOGYPHZEXYUWAQ-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE CN(C)CCC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1293731147 NVHYNWOHSATCRI-VXGBXAGGSA-N 312.370 -0.336 5 10 DBBE CCC1(C(=O)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])COC1 1351531836 KRBONMGMGZZTNT-UHFFFAOYSA-N 318.311 -0.440 5 10 DBBE Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)Cn2ncnn2)n1 1487406318 OWTSKTMUVCPBAP-UHFFFAOYSA-N 320.313 -0.463 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1535198071 AZTIEVJEZCNQPB-NXEZZACHSA-N 323.309 -0.784 5 10 DBBE CC(=O)NCC(=O)N[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1 1566829620 INNXYWGOCCNNFA-AOOOYVTPSA-N 324.341 -0.799 5 10 DBBE O=C(Cc1cc[nH]n1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1573137645 KYBUXHDYZZKQDX-SASUGWTJSA-N 321.337 -0.372 5 10 DBBE Cc1c(CC(=O)N2CC(S(N)(=O)=O)C2)cccc1[N+](=O)[O-] 1626281544 DCWSLJZLBSHLTB-UHFFFAOYSA-N 313.335 -0.055 5 10 DBBE COc1ccc(C(=O)NCC(=O)N2CC=C(N)N2)cc1[N+](=O)[O-] 1649020891 ZLTYHCKTPGJWGV-UHFFFAOYSA-N 321.293 -0.520 5 10 DBBE C[C@H]1C[C@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])CCS1(=O)=O 2143969068 DGMDEYXXHGLOEX-NKWVEPMBSA-N 301.328 -0.403 5 10 DBBE C[C@@H](CS(N)(=O)=O)Nc1nccc(C(=O)O)c1[N+](=O)[O-] 2152938989 JMIRRTOHSWFASM-YFKPBYRVSA-N 304.284 -0.223 5 10 DBBE N[C@H](CCS(=O)(=O)Cc1ccc([N+](=O)[O-])cn1)C(=O)O 2195337074 HXHFEJCZZPEWPU-SECBINFHSA-N 303.296 -0.293 5 10 DBBE NC1CCN(S(=O)(=O)N=c2cc[nH]cc2[N+](=O)[O-])CC1 2202432296 NBUHVJIFRVAFRO-UHFFFAOYSA-N 301.328 -0.509 5 10 DBBE O=[N+]([O-])c1ccc(NS(=O)(=O)C[C@H]2CNCCO2)nc1 2202439635 LVENGNATIPPVJP-SECBINFHSA-N 302.312 -0.280 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1cc(N)ccc1[N+](=O)[O-] 2206725844 TYXKELOCKLKMMW-ONGXEEELSA-N 300.340 -0.026 5 10 DBBE CNC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCO1 126103526 NRLQCBVGRXSMOX-VIFPVBQESA-N 316.339 -0.401 5 10 DBBE C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CCN1CCO 302375203 FUJNOPHRDNYXBP-SECBINFHSA-N 309.326 -0.409 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H](O)[C@H]1CCCO1 599392083 PWJSLEJKLINMCC-VHSXEESVSA-N 317.323 -0.192 5 10 DBBE CC1(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)COC1 782607723 MQEXAMJNUBBQRF-UHFFFAOYSA-N 301.280 -0.169 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC1=CCOCC1 1296065559 VRPMFSZHXHCDSC-VXGBXAGGSA-N 311.338 -0.037 5 10 DBBE NC1=CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)N1 1439531266 UKFDQIHYGUPBDF-UHFFFAOYSA-N 301.266 -0.064 5 10 DBBE Cc1cc(C(=O)NCC(=O)Nn2ccnn2)ccc1[N+](=O)[O-] 1449958253 DOKMZJUSMJADTC-UHFFFAOYSA-N 304.266 -0.005 5 10 DBBE C[C@]1(CO)C[C@@H](O)CN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1453750668 VRSBLFZZAUEYBZ-GPXNAGAYSA-N 304.690 -0.071 5 10 DBBE O=C(CO)NCCC(=O)NCCNc1ccccc1[N+](=O)[O-] 1463740785 MMUQBTTXBBFVBF-UHFFFAOYSA-N 310.310 -0.379 5 10 DBBE Cc1ncncc1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1501045285 SBWQYNNRGHBZJZ-ZYHUDNBSSA-N 321.337 -0.019 5 10 DBBE CCCOCC(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 1526136424 MOHOSHAQAOMJBW-HMUNZLOLSA-N 311.338 -0.349 5 10 DBBE O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](O)Cn1ccnn1 1626063023 DGGQKQQNFUJSRV-NSHDSACASA-N 305.294 -0.094 5 10 DBBE CN(CCOCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(F)F 1679629455 SSFBOPOFBSMLBJ-RKDXNWHRSA-N 323.296 -0.102 5 10 DBBE Cc1ncc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 1717503827 MSPQSBPNFXCHIV-VXGBXAGGSA-N 324.337 -0.299 5 10 DBBE CC(F)(F)C(=O)NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1726024620 IFWISXWMNWCPLK-HTQZYQBOSA-N 321.280 -0.614 5 10 DBBE CCN(CCNC(=O)c1nn(C)cc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737798737 ZYEVTZWYLGLAJG-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE CN(C)S(=O)(=O)C[C@H](N1CC([N+](=O)[O-])C1)C(F)(F)F 1884243907 CRVPCWMOFBRRAL-ZETCQYMHSA-N 305.278 -0.230 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2CCNC[C@@H]2F)c1 2146549636 HKTQMUAHXUJIBW-VHSXEESVSA-N 304.303 -0.032 5 10 DBBE CN=c1nc(N=[S@@](C)(=O)CC2CNC2)c([N+](=O)[O-])c[nH]1 2173752069 WFFQQQMSYGIVSR-FQEVSTJZSA-N 300.344 -0.203 5 10 DBBE O=Cc1cc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])s1 2177947432 FPOGBPHUBQGBMH-SVARNEQVSA-N 302.308 -0.017 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[P@@](C)(=O)C[C@H]1O 2186551460 MEFKBYPDXMPFTK-WULHADROSA-N 302.227 -0.206 5 10 DBBE CCc1ncc([N+](=O)[O-])c(O[C@H]2CS(=O)(=O)C[C@H]2N)n1 2286673266 DPKOTLHPGWJJRU-SVRRBLITSA-N 302.312 -0.550 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)C1 157478332 MUUSOJZAVWVZCT-LURJTMIESA-N 321.384 -0.076 5 10 DBBE CN([C@H]1CNC[C@@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 209480937 UBQAAVRCKLAUMQ-QWRGUYRKSA-N 301.324 -0.452 5 10 DBBE O=C1N[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1 496517624 GMFNKFDSPUZEOU-JTQLQIEISA-N 321.293 -0.253 5 10 DBBE CCN1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1=O 598619167 CJPICTHLSPXFAR-UHFFFAOYSA-N 322.325 -0.153 5 10 DBBE CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599217505 ACTSYKGISOCJOR-ZETCQYMHSA-N 317.327 -0.773 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CCO)CC2CC2)n1 599244951 NKRJJVMLAGTWCJ-UHFFFAOYSA-N 304.328 -0.279 5 10 DBBE CN(C)C[C@@]1(O)CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 619254202 IUEUBHLFEWIARE-ZDUSSCGKSA-N 311.342 -0.294 5 10 DBBE CC(C)C(=O)N1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1318263544 XEAZZYQHIJCCSO-UHFFFAOYSA-N 324.341 -0.097 5 10 DBBE NC(=O)C[C@@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 1327078254 BYQDDXKAGNGKBG-QMMMGPOBSA-N 314.323 -0.124 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@H]2[C@H]3CC[C@@H](CN3)[C@H]2C1 1331475277 YFUZDXUTUGIRGV-LNFKQOIKSA-N 306.326 -0.357 5 10 DBBE CN1C(=O)CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1=O 1639601870 VCSOWVTZNQODNZ-MRVPVSSYSA-N 322.277 -0.980 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCCC1 1712946340 WBTDVNDXTGNMML-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE CN(C)C(=O)CC(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759557839 QQLYMLUZJLTBMO-NXEZZACHSA-N 314.342 -0.953 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1N=c1cc(C)[nH]cc1[N+](=O)[O-] 1917800002 ATSAOHABMSGIDZ-ONGXEEELSA-N 301.324 -0.056 5 10 DBBE Nc1ncnc(N2CCC[C@H]2CS(N)(=O)=O)c1[N+](=O)[O-] 2146415754 HBVJDTFZVNSFCP-LURJTMIESA-N 302.316 -0.776 5 10 DBBE CCc1nnc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)o1 2156820663 MHGJWZWNULGAHB-UHFFFAOYSA-N 302.272 -0.568 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN[C@@H]2CCN(S(C)(=O)=O)C2)n1 2159125340 XNVRSKTWQJEPNR-MRVPVSSYSA-N 303.344 -0.548 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1ncnc(Cl)c1[N+](=O)[O-] 2192679463 UXBDPZMSTWNINX-RITPCOANSA-N 321.746 -0.165 5 10 DBBE Cn1cc([N+](=O)[O-])c(C[S@](=O)C(C)(C)[C@@H](N)C(=O)O)n1 2195306098 XTNAUCONJHINOP-FHZGZLOMSA-N 304.328 -0.233 5 10 DBBE O=C(O)[C@H](CO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 21008970 PEGPYMGJFSQYOQ-LURJTMIESA-N 306.252 -0.976 5 10 DBBE CNc1ccc(S(=O)(=O)Nc2nnn(C)n2)c([N+](=O)[O-])c1 127727598 PGUJCQBNSSERCJ-UHFFFAOYSA-N 313.299 -0.039 5 10 DBBE C[C@@H](Oc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-])C(N)=O 215873637 OYGPXEJDMKTFMO-SCSAIBSYSA-N 307.259 -0.366 5 10 DBBE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1CO 599288644 QSZRRYLQBJWLRZ-CBAPKCEASA-N 304.328 -0.280 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCS(=O)(=O)CC1 1136593486 DVDNACNFVQEPJM-UHFFFAOYSA-N 315.307 -0.987 5 10 DBBE CC[C@H](OC)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1351531962 MJDVWQLAXKVNHB-ZETCQYMHSA-N 306.300 -0.442 5 10 DBBE COc1cc(C(=O)N2CC3(C2)NC(=O)NC3=O)ccc1[N+](=O)[O-] 1607386415 CRRVYARVXCIXLM-UHFFFAOYSA-N 320.261 -0.363 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NN2C(=O)[C@@H](C)N(C)C2=O)n1 1633409925 RCOLVEOBJQTJOZ-ZCFIWIBFSA-N 310.270 -0.262 5 10 DBBE O=C1NCCC12CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 1644395764 XGQWVDDVYJUXFT-GFCCVEGCSA-N 323.353 -0.246 5 10 DBBE O=C(NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)c1cc[nH]n1 1704391918 BRRMAOZTKMFBBO-MWLCHTKSSA-N 307.310 -0.204 5 10 DBBE Cc1n[nH]cc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1747214576 JCPPIQCAXZHODK-NWRGJWMSSA-N 307.310 -0.214 5 10 DBBE CN(CC(=O)N1CCOCC1)C(=O)c1cnc([N+](=O)[O-])n1C 1850575261 SOJVAEDCBHVUMZ-UHFFFAOYSA-N 311.298 -0.741 5 10 DBBE CC(=O)NCCONS(=O)(=O)c1cccc([N+](=O)[O-])c1 1857966513 SYJJYIYMCGVBMC-UHFFFAOYSA-N 303.296 -0.059 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@@H](O)CO 1963063582 AKDAQNPOVROPDC-SECBINFHSA-N 304.324 -0.075 5 10 DBBE CN(CCN(C)S(C)(=O)=O)c1cc([N+](=O)[O-])cc(=N)[nH]1 2146934326 ATCAEMJQOAVPFH-UHFFFAOYSA-N 303.344 -0.270 5 10 DBBE N[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2149985809 DGNPTCQILQJXQV-RKDXNWHRSA-N 305.287 -0.262 5 10 DBBE NNc1cc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)ccc1[N+](=O)[O-] 2234460422 BMLABGMXOAMSFK-SCZZXKLOSA-N 302.312 -0.550 5 10 DBBE C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN)C(N)=O 35796749 VNLIZPARIFEBGH-RXMQYKEDSA-N 303.300 -0.968 5 10 DBBE NNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCOC1 131584545 RJSPHXHMVGDJPR-SSDOTTSWSA-N 302.312 -0.052 5 10 DBBE NNc1sc(S(=O)(=O)NCc2nnc[nH]2)cc1[N+](=O)[O-] 157511872 MGGWKYFXHWOPFQ-UHFFFAOYSA-N 319.328 -0.462 5 10 DBBE Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(=O)n(C)c1=O 572079888 BMZCPFZFDPVCLU-UHFFFAOYSA-N 320.261 -0.050 5 10 DBBE C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599281086 PBENUVFOWYKYJP-SSDOTTSWSA-N 317.327 -0.821 5 10 DBBE CN(c1nc(N)ncc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 694196378 SBTRNDZRPMEFKL-UHFFFAOYSA-N 301.328 -0.020 5 10 DBBE O=C(CCn1ccnc1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1285923116 AKWQFXFDDWNYLP-GHMZBOCLSA-N 321.337 -0.297 5 10 DBBE Cc1ccnc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1296053295 OUBGHLBZBUSAFG-NXEZZACHSA-N 307.310 -0.362 5 10 DBBE O=[N+]([O-])c1ccn(CCN2CCN3CCOC[C@]3(CO)C2)n1 1460850611 PZZBYYCRUQMSEL-CYBMUJFWSA-N 311.342 -0.830 5 10 DBBE CN(CCNCC(=O)N1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1481229527 RDAADEPQIZJNEX-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)Cc1cccc([N+](=O)[O-])c1 1558636945 FUYGAIRNYUUSIX-NSHDSACASA-N 316.335 -0.341 5 10 DBBE Cc1cc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 1569773110 LJRVECXTVCFEIF-GHMZBOCLSA-N 310.310 -0.689 5 10 DBBE CC1(NCCOCCO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1717297288 NZGMCDJHRIPRIY-VXGBXAGGSA-N 315.370 -0.369 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCC(CO)CO)ccc1O 2179743029 LOABLZHVSJIUOR-UHFFFAOYSA-N 306.296 -0.821 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CNC[C@@H](F)C2)cn1 2234651988 RZJOQRVKZRVHRJ-JGVFFNPUSA-N 304.303 -0.032 5 10 DBBE O=[N+]([O-])c1ccc(CO)cc1O[C@@H]1CS(=O)(=O)C[C@@H]1O 50517803 GOSKYPUSFBTUMG-GXSJLCMTSA-N 303.292 -0.376 5 10 DBBE Nc1sc(S(=O)(=O)N2CCCNC(=O)C2)cc1[N+](=O)[O-] 125639243 IBZIALOBRYYQCM-UHFFFAOYSA-N 320.352 -0.251 5 10 DBBE CCOC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC12COC2 452218803 HRAOPNQWRSLTCS-MRVPVSSYSA-N 324.293 -0.030 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] 596620856 HVYXPRDATPDCLS-KCJUWKMLSA-N 308.294 -0.546 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)n1 599248582 OMDVLPNQBGTNFZ-APPZFPTMSA-N 304.328 -0.232 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@]2(O)CCOC2)n1 599339168 ISVFAKRDBWTMNE-JTQLQIEISA-N 320.327 -0.852 5 10 DBBE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839755349 HYXFFURPSCMWLB-SGIHWFKDSA-N 305.356 -0.514 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)n1 1133724867 FESHNZVJVXQHGD-SFYZADRCSA-N 316.339 -0.026 5 10 DBBE C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1334932744 DVYZIDUIFGEBTD-HTQZYQBOSA-N 303.344 -0.171 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cncnc1 1496740093 VLTWSIPCZPDCQH-GHMZBOCLSA-N 307.310 -0.280 5 10 DBBE Cc1c[nH]nc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1535248637 UHPLLNMLNBWKDG-RKDXNWHRSA-N 307.310 -0.238 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cncnc1 1737798363 URRIMNSPLWQIQX-VXGBXAGGSA-N 321.337 -0.351 5 10 DBBE NS(=O)(=O)C1CN(c2cc([N+](=O)[O-])ccc2C(=O)O)C1 1915001240 NJFPSWCDAXFZJU-UHFFFAOYSA-N 301.280 -0.230 5 10 DBBE CC1(NC(=O)c2cc([N+](=O)[O-])cnc2N)CS(=O)(=O)C1 1918414997 YZDIUNHFXFAGQU-UHFFFAOYSA-N 300.296 -0.511 5 10 DBBE C[S@@](=O)(=Nc1ncnc(N)c1[N+](=O)[O-])N1CCNCC1 2173925422 JNRVZNWGUBRKJI-HXUWFJFHSA-N 301.332 -0.484 5 10 DBBE O=C(O)[C@@H](Nc1cccnc1[N+](=O)[O-])C1CS(=O)(=O)C1 2197526466 STBVXMHETSREGM-QMMMGPOBSA-N 301.280 -0.101 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1Nc1cc([N+](=O)[O-])cc(=N)[nH]1 2207464054 DZYFNOPWGASEDP-HTQZYQBOSA-N 302.312 -0.374 5 10 DBBE N[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(F)c1)C(=O)O 2286023428 YCGMYJJGKJEPKE-SSDOTTSWSA-N 307.259 -0.113 5 10 DBBE Cn1[nH]c(=NCc2nnc(Br)n2C)nc1[N+](=O)[O-] 2321700221 FSXSPVPIBXZSNQ-UHFFFAOYSA-N 317.107 -0.352 5 10 DBBE CCc1ncc([N+](=O)[O-])c(=NCCS(=O)(=O)CCO)[nH]1 2360984797 DZPBASPEIFDKRT-UHFFFAOYSA-N 304.328 -0.812 5 10 DBBE NC[C@@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O 52125706 DMVNKAWRFRRULN-SSDOTTSWSA-N 301.280 -0.941 5 10 DBBE Cn1cc(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)nn1 92023383 OYMZDVFORBNNPY-UHFFFAOYSA-N 318.293 -0.231 5 10 DBBE COCCNC[C@@H](O)CS(=O)(=O)c1ccccc1[N+](=O)[O-] 123678007 CVFMTORPEFQKFO-SNVBAGLBSA-N 318.351 -0.035 5 10 DBBE O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H](O)Cn3ccnn3)[nH]c2c1 413440775 SGFMDJIRJNWPNR-SECBINFHSA-N 303.282 -0.043 5 10 DBBE COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)NCC(=O)O 527436139 GMBCLRJTADGLQV-UHFFFAOYSA-N 305.268 -0.066 5 10 DBBE CN(CCO)C(=O)NCCNC(=O)Cc1ccccc1[N+](=O)[O-] 585843802 DOUBAZRUZAOVQP-UHFFFAOYSA-N 324.337 -0.113 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](CO)O1 593582556 OSFSNTVJSJMFDL-WCBMZHEXSA-N 317.323 -0.240 5 10 DBBE CCN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593593024 PNWXUYRXMQJPSJ-SECBINFHSA-N 314.323 -0.111 5 10 DBBE CNS(=O)(=O)c1ccc(O[C@H]2CNOC2)c([N+](=O)[O-])c1 722486307 LVAKODHRHJOBOA-ZETCQYMHSA-N 303.296 -0.215 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CNS(C)(=O)=O)n1 1134143862 HTIYDDZODZCNRW-UHFFFAOYSA-N 319.343 -0.614 5 10 DBBE O=C(NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@]1(F)CCOC1 1329809334 OSXMZKMNCDVLET-SNVBAGLBSA-N 319.270 -0.077 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CC(NC2CCOCC2)C1 1455793757 CJVGYBFQLCBCOB-UHFFFAOYSA-N 309.326 -0.079 5 10 DBBE CC(C)(CCC(=O)NCc1nnc2c(=O)[nH]ccn12)[N+](=O)[O-] 1462820865 YKAPBFWRWDTOEI-UHFFFAOYSA-N 308.298 -0.131 5 10 DBBE CN(CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)CCS(C)(=O)=O 1594063474 IBLRMPJASYYKNH-UHFFFAOYSA-N 319.343 -0.976 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@@H]2C1=O 1648899746 UFCXCEGJJXROJG-DTORHVGOSA-N 318.289 -0.136 5 10 DBBE CCn1cc(CNCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1699507439 YTVPFQHWYGGDGV-VXGBXAGGSA-N 310.358 -0.099 5 10 DBBE O=C(NCCO)[C@H]1C[C@@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1 1861034013 JTSSMLOWSCZQEL-VXGBXAGGSA-N 323.305 -0.721 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H](O)CO)c(F)c1 1963621872 RXIREWQYVKQOJD-QMMMGPOBSA-N 308.287 -0.245 5 10 DBBE NCC1(O)CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)C1 2154725635 BCDFYMMXUXYZSD-UHFFFAOYSA-N 305.287 -0.572 5 10 DBBE O=C(O)[C@H](Nc1ccc([N+](=O)[O-])nc1)C1CS(=O)(=O)C1 2197527527 YXWHLHRPRMOBOX-SECBINFHSA-N 301.280 -0.101 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@H]1NCc1ccc([N+](=O)[O-])cn1 2207465481 RKYOBDQKSYOKPP-MNOVXSKESA-N 301.324 -0.109 5 10 DBBE NS(=O)(=O)CCCN=c1[nH]c(C2CC2)ncc1[N+](=O)[O-] 2286624605 XLENXDVLLWJFJG-UHFFFAOYSA-N 301.328 -0.225 5 10 DBBE Nc1cccc(S(=O)(=O)N2CCCNC(=O)C2)c1[N+](=O)[O-] 127029182 OQKAAYUMPOPIIJ-UHFFFAOYSA-N 314.323 -0.312 5 10 DBBE CS(=O)(=O)N1CCN(c2cc(NN)cc([N+](=O)[O-])c2)CC1 160141406 JNALGJVIOWTLMS-UHFFFAOYSA-N 315.355 -0.038 5 10 DBBE CCN(CC(N)=O)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 231824017 MUEUSQDIPFAVNQ-UHFFFAOYSA-N 303.296 -0.204 5 10 DBBE O=[N+]([O-])c1cccc(O)c1NS(=O)(=O)N1CCNCC1 232402178 VGTDYYNHEBQARJ-UHFFFAOYSA-N 302.312 -0.138 5 10 DBBE CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 358827988 RTUGUQHSBHOVHX-NXEZZACHSA-N 324.341 -0.051 5 10 DBBE NC(=O)C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCO1 599186963 MCQGXJNGXUHKJB-QMMMGPOBSA-N 306.282 -0.282 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN3CCC2CC3)n1 599288184 JATASFIEBLYALW-UHFFFAOYSA-N 315.355 -0.203 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1COCCN1C 600420881 LQALQJCWJRJUOW-NSHDSACASA-N 311.342 -0.063 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nn[nH]n1 709761943 CAXUZIMJGIIBGF-UHFFFAOYSA-N 300.256 -0.083 5 10 DBBE CC(=O)N(C)CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750757417 LVXZXAQNLNXDPY-UHFFFAOYSA-N 316.295 -0.727 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN(C)CCN2C)n1 1146377261 UKDCJGYKCQGRAZ-SNVBAGLBSA-N 310.358 -0.213 5 10 DBBE Cc1nn(C)cc1CC(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1496163865 JQWIGTVDZXQSSO-VXGBXAGGSA-N 323.353 -0.489 5 10 DBBE COC(=O)C1(NC(=O)Cn2ccc([N+](=O)[O-])n2)CCOCC1 1521573722 FZGSBOVHNGATCA-UHFFFAOYSA-N 312.282 -0.370 5 10 DBBE O=C1NCCn2c(CCN=c3cc[nH]cc3[N+](=O)[O-])nnc21 1640404021 WSSDTSYUFGLBTN-UHFFFAOYSA-N 303.282 -0.599 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(C1)NC(=O)NC2=O 1640575545 TXIBJSVGMWGHMG-UHFFFAOYSA-N 304.262 -0.063 5 10 DBBE CC(=O)N1CC(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)C1 1926308033 KTMXBSRBZCUIPP-UHFFFAOYSA-N 320.352 -0.253 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CCOC[C@H]1[C@H](O)CO 2146326530 OZPYNHQLBNNPJK-JGVFFNPUSA-N 302.308 -0.150 5 10 DBBE CN=c1[nH]c(N[C@H]2CCS(=O)(=O)[C@H]2C)ncc1[N+](=O)[O-] 2157682937 YRULXZHNAAZGSV-BQBZGAKWSA-N 301.328 -0.164 5 10 DBBE Cn1cc([N+](=O)[O-])c(=NC2C[C@@H]3CS(=O)(=O)C[C@H]3C2)[nH]1 2161135119 IYCFQUFRPGKZTL-HTQZYQBOSA-N 300.340 -0.015 5 10 DBBE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](N)CO 2162377805 NLDBIKFFKXMOLK-SSDOTTSWSA-N 307.303 -0.360 5 10 DBBE CCS(=O)(=O)C[C@H](C)N=c1cc([N+](=O)[O-])cc(NN)[nH]1 2170591781 QBSWGKUUVAOCGE-ZETCQYMHSA-N 303.344 -0.068 5 10 DBBE C[S@](=O)CC1(C)CN(c2nc(NN)ncc2[N+](=O)[O-])C1 2186341482 UTBGMCKRFYASNK-FQEVSTJZSA-N 300.344 -0.125 5 10 DBBE CNCc1ccc(O[C@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1 37703138 CKGFURDUDDHVAN-PWSUYJOCSA-N 316.335 -0.149 5 10 DBBE CC(C)(NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-])C(N)=O 126756269 ULAZIOCDZVDIRN-UHFFFAOYSA-N 317.327 -0.577 5 10 DBBE Cn1ncnc1NS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 127396143 FOQWPLBIDLESJZ-UHFFFAOYSA-N 313.299 -0.190 5 10 DBBE CNS(=O)(=O)CCNc1nc(C(=O)O)ccc1[N+](=O)[O-] 231014492 NDGPYSQDWFDSGP-UHFFFAOYSA-N 304.284 -0.351 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] 235020714 XSTDEJZSMOSNAV-UHFFFAOYSA-N 303.296 -0.421 5 10 DBBE C[C@@]1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCC(=O)N1 594782639 GKTAZIGASPANRY-NSHDSACASA-N 314.323 -0.063 5 10 DBBE COC(=O)[C@@H]1CCS(=O)(=O)N1Cc1onc(C)c1[N+](=O)[O-] 596300286 AXYHWMPKCPSBKZ-ZETCQYMHSA-N 319.295 -0.032 5 10 DBBE C[C@@H](CCN(C)C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599242722 QLUZKSILGOXTQZ-QMMMGPOBSA-N 305.360 -0.053 5 10 DBBE NS(=O)(=O)[C@H]1CCN(c2ncnc(Cl)c2[N+](=O)[O-])C1 707413114 GTLVIYIJQIAPTH-YFKPBYRVSA-N 307.719 -0.095 5 10 DBBE CNC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CCO1 1138145437 XOYVQGKQUMDVTJ-NSHDSACASA-N 308.294 -0.115 5 10 DBBE NC(=O)CC1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1141762524 QVRZSZPWUGKWKV-UHFFFAOYSA-N 322.321 -0.130 5 10 DBBE CN(C)S(=O)(=O)C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 1155513540 IGYXQCOTNMUHIX-UHFFFAOYSA-N 317.327 -0.528 5 10 DBBE Cc1ncn(C)c1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1294136872 PRDNLSREKKWYPC-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](CO)C2)nc1 1326778998 RBRXKWIKOWUAMU-PSASIEDQSA-N 317.323 -0.646 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cnn(C)c1 1496740312 ZUMGLZOMVFOVLX-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE Cc1ncc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 1535255168 SRAGLUIGCMHQHC-PSASIEDQSA-N 307.310 -0.238 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCS(=O)(=O)CC1 1541097634 KIUGUXSNZVORTA-UHFFFAOYSA-N 302.312 -0.515 5 10 DBBE COC1(OC)CCOC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 1633452185 BOFNSMJSJSUEGH-JTQLQIEISA-N 314.298 -0.315 5 10 DBBE Cc1nonc1CC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721079454 TVHRETSMUYGGFD-PSASIEDQSA-N 311.298 -0.840 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCN)CCN 2152186345 IAGKFMQJHYRJHP-UHFFFAOYSA-N 302.356 -0.189 5 10 DBBE CC(C)(CNS(C)(=O)=O)Nc1ncc([N+](=O)[O-])c(=N)[nH]1 2157650668 QLWUKHWOVHZLTG-UHFFFAOYSA-N 304.332 -0.463 5 10 DBBE C[P@]1(=O)C[C@@H](O)[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 2177807639 CRYHFOXGVRLWJO-SEJYDQARSA-N 302.227 -0.357 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N=[S@](C)(=O)[C@H]2CCNC2)n1 2186532807 RWUIQTKASPXZSU-SVWIBVJCSA-N 301.328 -0.072 5 10 DBBE COCC(COC)Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2199328412 OVTCULOCIOPRMI-UHFFFAOYSA-N 308.316 -0.652 5 10 DBBE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])s1 2200851563 MAVPBACYLCDTID-WDZBIPAOSA-N 302.264 -0.713 5 10 DBBE Cc1c([N+](=O)[O-])c(=NCC2[C@@H]3CS(=O)(=O)C[C@@H]23)[nH]n1C 2207485311 IYLKBZVJJYGAQQ-IUCAKERBSA-N 300.340 -0.239 5 10 DBBE Nc1c([N+](=O)[O-])ccc(NCC2(O)CS(=O)(=O)C2)c1F 2283093277 CHSGTNAVUCZOSE-UHFFFAOYSA-N 305.287 -0.113 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1COCCO1 50662521 MAWFDQLIAOKIRZ-SECBINFHSA-N 317.323 -0.129 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1N(C)CC(=O)N1CCNCC1 262416912 DRPFSFPHOLDRCE-UHFFFAOYSA-N 310.358 -0.012 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2CC(O)C2)n1 599286319 HBKAPLAACPFGKQ-UHFFFAOYSA-N 304.328 -0.232 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncnc(N)c1[N+](=O)[O-] 696993907 FVWHLAQBYSKYRM-RITPCOANSA-N 303.300 -0.809 5 10 DBBE O=C(NCC(=O)N1CCCO1)[C@H](O)c1cccc([N+](=O)[O-])c1 862086299 KZQPWWLLQPJKLF-GFCCVEGCSA-N 309.278 -0.092 5 10 DBBE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CC[N+](=O)[O-] 1174632088 NYCYRGQYGPFIQJ-ZDUSSCGKSA-N 319.358 -0.149 5 10 DBBE Cn1nncc1CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1265161185 FEJMRATZNRLRGC-CHWSQXEVSA-N 322.369 -0.049 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1C[C@@H]2CCCCN2C1=O 1528070934 ACDKSLHERRMBNU-DTWKUNHWSA-N 308.298 -0.544 5 10 DBBE Cc1cnn(C)c1C(=O)N(C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1532969696 OQMGNCMXRXSSDW-GHMZBOCLSA-N 323.353 -0.076 5 10 DBBE O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 1637479558 GZZSHFNJTXOMKR-YUMQZZPRSA-N 314.323 -0.175 5 10 DBBE Cn1cc(CN2CCC[C@H]3OCCNC(=O)[C@@H]32)c([N+](=O)[O-])n1 1659904365 TXNHNLJTMPJMFU-GHMZBOCLSA-N 309.326 -0.192 5 10 DBBE CCN(CCNC(=O)c1ccc(O)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721133603 OUYRGHXJGMZZKK-PSASIEDQSA-N 323.309 -0.574 5 10 DBBE NC[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 2062352187 DVCRLKXNPFWPNZ-BYPYZUCNSA-N 315.760 -0.092 5 10 DBBE CS(=O)(=O)c1nn(-c2cccnc2[N+](=O)[O-])cc1C(N)=O 2080310470 PVZYGMLXUCLJTB-UHFFFAOYSA-N 311.279 -0.322 5 10 DBBE CC(C)S(=O)(=O)C[C@@H](C)N=c1[nH]c(=N)[nH]cc1[N+](=O)[O-] 2170566513 BUSOKAYFQUTGRL-SSDOTTSWSA-N 303.344 -0.157 5 10 DBBE O=[N+]([O-])c1cc(F)nc(N2CC3(CNS(=O)(=O)C3)C2)c1 2183217382 XMAIUIOLPZGZMH-UHFFFAOYSA-N 302.287 -0.132 5 10 DBBE CO[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 2188217576 BCAHYRDCCSMSQX-PSASIEDQSA-N 302.312 -0.054 5 10 DBBE O=C(C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCOCC1 47298101 YQVHLVPVGCGZQA-VXGBXAGGSA-N 311.338 -0.251 5 10 DBBE CNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2nnn[nH]2)c1 50672805 WPPVDQQYODCVJE-UHFFFAOYSA-N 313.299 -0.372 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 159078061 MAJAALYREIAMNM-QGZVFWFLSA-N 313.382 -0.105 5 10 DBBE Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](O)CO)cc1[N+](=O)[O-] 698918044 HVNQEWZGNQQCNG-LDYMZIIASA-N 304.324 -0.077 5 10 DBBE O=C(c1cc([N+](=O)[O-])cnc1Cl)N1CC(O)(C(=O)O)C1 706471851 RGTPTVIJNHVEHL-UHFFFAOYSA-N 301.642 -0.085 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](O)[C@H](C)O 717400813 GBUXAPZBFGQFMZ-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE COc1cc([N+](=O)[O-])cnc1NC(=O)CN1CC(=O)N(C)C1=O 1132750166 BXAPHNSFJCRHSP-UHFFFAOYSA-N 323.265 -0.169 5 10 DBBE O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(C[C@H](O)CNC2=O)C1 1303533273 MKNQYBNWDLEGEI-VIFPVBQESA-N 321.289 -0.377 5 10 DBBE O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 1449698464 RDXCLFXLSBQHFU-GFCCVEGCSA-N 314.319 -0.126 5 10 DBBE O=C(c1ccccc1[N+](=O)[O-])N1CC2(C[C@@H](O)CNC2=O)C1 1471823805 YMTDYJUDARUGOX-SECBINFHSA-N 305.290 -0.082 5 10 DBBE CCc1nncn1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1544229788 GCNQRDBMRHOGOB-UHFFFAOYSA-N 320.309 -0.273 5 10 DBBE C[C@@H]1CCNC(=O)[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1568085910 LALXSMPVLVUSQX-PELKAZGASA-N 308.294 -0.603 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2c(O)ncnc2C1 1632897060 PUCYOEQXNLHVEN-UHFFFAOYSA-N 305.254 -0.733 5 10 DBBE COC(OC)C(=O)N1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 1643209732 DNOCRTWRGWOCES-UHFFFAOYSA-N 313.314 -0.404 5 10 DBBE O=C(NC1(CCO)CN(C(=O)c2ccon2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1734821508 USTGHMSVVMZMSD-PSASIEDQSA-N 324.293 -0.967 5 10 DBBE O=C(NCCO)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1 1861037415 GLDGXGXCTVXLNR-NEPJUHHUSA-N 323.305 -0.721 5 10 DBBE CN(C1COC1)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 1915669972 QYSUGTDKIPVQHP-UHFFFAOYSA-N 302.312 -0.100 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCNNCC1 2152186735 LSCGDXHYMSVBHY-UHFFFAOYSA-N 300.340 -0.166 5 10 DBBE COC[C@H](NC(=O)c1cc(Cl)ncc1[N+](=O)[O-])C(N)=O 2152374892 TUTGGHIOBLAPDA-LURJTMIESA-N 302.674 -0.127 5 10 DBBE C[C@H](CS(N)(=O)=O)Nc1ncc(C(=O)O)cc1[N+](=O)[O-] 2152943107 ZDSGTVOPKNMOBV-RXMQYKEDSA-N 304.284 -0.223 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CC2(C1)OC[C@H](O)[C@@H]2O 2183639223 SFSAXFMTJSZUPT-BQBZGAKWSA-N 302.674 -0.651 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@]2(CO)C[C@H](O)C2)c1 2197290833 JCTCFAVXWZMUAY-WAAGHKOSSA-N 303.296 -0.846 5 10 DBBE CS(=O)(=O)N1CC[C@H](Oc2ccc([N+](=O)[O-])c(N)n2)C1 2285597070 MLHRQDCGMFVDSS-ZETCQYMHSA-N 302.312 -0.015 5 10 DBBE CS(=O)(=O)C[C@@H](Nc1ccnc(O)c1[N+](=O)[O-])C(=O)O 2360593941 LVPUNFOFZIKOOF-ZCFIWIBFSA-N 305.268 -0.395 5 10 DBBE CCn1cc([N+](=O)[O-])cc1C(=O)NCCCS(N)(=O)=O 40383324 QSUCJOBYOVKLSK-UHFFFAOYSA-N 304.328 -0.175 5 10 DBBE COCCOC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])nc21 96552331 VLYYNERFSZLZMB-UHFFFAOYSA-N 311.250 -0.095 5 10 DBBE O=C1CN(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)CC(=O)N1 97270295 HEEQETBILORGPG-UHFFFAOYSA-N 317.254 -0.619 5 10 DBBE NNc1ncnc(NC[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 159956292 FKYNTFCVQAUNHQ-LURJTMIESA-N 302.316 -0.483 5 10 DBBE CC(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 268721615 VYDCVNBGBAOHCN-GXFFZTMASA-N 311.342 -0.295 5 10 DBBE Cc1ccc(NC(=O)C(=O)N[C@H]2CCNC2=O)cc1[N+](=O)[O-] 595074781 VFAVWKCSKPMACV-VIFPVBQESA-N 306.278 -0.154 5 10 DBBE CN(C)C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599237908 UMGWEDFSRAEJAJ-SECBINFHSA-N 317.371 -0.100 5 10 DBBE NS(=O)(=O)c1cn(CCN2CCSCC2)nc1[N+](=O)[O-] 689786837 MNNFSSMBAUBVDZ-UHFFFAOYSA-N 321.384 -0.513 5 10 DBBE CNc1ncnc(N2CC[C@@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] 707428498 MDYXNKBDZADKJT-ZCFIWIBFSA-N 302.316 -0.706 5 10 DBBE CC(C)(CCC(=O)NCC1(O)CCS(=O)(=O)CC1)[N+](=O)[O-] 1568985653 HMRRLLNQTPUZIB-UHFFFAOYSA-N 322.383 -0.122 5 10 DBBE O=C(NCC(=O)N1CC[C@@H]1CO)NCc1ccc([N+](=O)[O-])cc1 1597670045 VWRBBHOLULHVIR-GFCCVEGCSA-N 322.321 -0.013 5 10 DBBE CCC[C@@H](O)[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1637665316 CROWFANXYASXJA-WDEREUQCSA-N 313.310 -0.605 5 10 DBBE C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)C[C@H]1CS(N)(=O)=O 1640475278 OXNQNWVFBGKQHZ-SFYZADRCSA-N 303.344 -0.311 5 10 DBBE COCCN(CCNC(=O)C(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1681086774 PTWZLRZQZGCJSX-GHMZBOCLSA-N 301.343 -0.101 5 10 DBBE CN(CCCCCCNC(=O)C(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1719528555 KVBNEMORHOFIBN-NXEZZACHSA-N 314.342 -0.728 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(O)(CN)C1 2154726442 MUILBZKHDVPOAF-UHFFFAOYSA-N 301.324 -0.403 5 10 DBBE CC(C)NC(=O)CCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156811378 QJLCYQKRYPKJRG-UHFFFAOYSA-N 305.316 -0.647 5 10 DBBE CCN=c1nc(N=[S@@](C)(=O)C2CNC2)c([N+](=O)[O-])c[nH]1 2173934703 GXSGCPRKZUNDHM-FQEVSTJZSA-N 300.344 -0.060 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(O)n[nH]2)ccc1O 2199529760 YJRPUDRHDSLALD-UHFFFAOYSA-N 301.240 -0.075 5 10 DBBE Cc1nc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(Cl)cc1[N+](=O)[O-] 2200861641 UHOANJHVOQBGAO-GUBZILKMSA-N 303.702 -0.146 5 10 DBBE O=C(O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])cs1 2200868236 XOBUZLZGICKSNE-APQOSEDMSA-N 302.264 -0.713 5 10 DBBE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1cc(CO)sc1[N+](=O)[O-] 2233866203 OULYZRGGSWEOBS-OPRDCNLKSA-N 304.324 -0.295 5 10 DBBE CO[C@@H](CN)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2365425717 AQPDQORWQOMAQD-ZETCQYMHSA-N 307.303 -0.014 5 10 DBBE CN1CCN(NS(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])CC1 150102863 BREXZWIASMPMJQ-UHFFFAOYSA-N 315.355 -0.382 5 10 DBBE COCCN1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1=O 283113697 YIRQVVRQMNZVFY-UHFFFAOYSA-N 309.282 -0.659 5 10 DBBE C[C@H](O)[C@H]1CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599346353 IGTCXOTZZVVAMB-JGVFFNPUSA-N 304.328 -0.138 5 10 DBBE NS(=O)(=O)N1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 698679605 BMNQDZIMYMSDPJ-UHFFFAOYSA-N 302.316 -0.535 5 10 DBBE C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCS(=O)(=O)C1 1320774409 ZJAKLEZKLBMUOJ-QMMMGPOBSA-N 316.339 -0.165 5 10 DBBE Cn1c(=O)c([N+](=O)[O-])c(NCC(=O)NCCO)c2ccccc21 1642401087 PHQDCAPWVOCURG-UHFFFAOYSA-N 320.305 -0.033 5 10 DBBE NCC1(O)CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 2154725941 GFUVXJVKVBDRGF-UHFFFAOYSA-N 301.324 -0.570 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 2159177414 WVZDOOAONPQWGH-SFYZADRCSA-N 303.344 -0.087 5 10 DBBE CNCC[S@@](C)(=O)=NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2161171454 SGNDNLZALKSEDO-LJQANCHMSA-N 322.368 -0.004 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NOC1CNC1 2179468131 FSAXPLFQUAOCNB-UHFFFAOYSA-N 303.296 -0.215 5 10 DBBE CNC1CN(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)C1 2233144908 YWEROFRILBZRTI-UHFFFAOYSA-N 301.328 -0.141 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1N1C[C@H](O)[C@@H](O)[C@H](CO)C1 2289401287 PWMBVCIJJVICLI-HKPALBBZSA-N 303.702 -0.207 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC(=O)N1 79937849 FQXONCMAAAQNBP-ZETCQYMHSA-N 314.323 -0.266 5 10 DBBE CCS(=O)(=O)CCNc1nc(NN)nc(C)c1[N+](=O)[O-] 233854185 LAZWIXJZRNUDFR-UHFFFAOYSA-N 304.332 -0.175 5 10 DBBE CNc1ccc(C(=O)NCCS(N)(=O)=O)c([N+](=O)[O-])c1 312224619 BGGMZMRPVPEGOE-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1(CO)CC1 348002073 FBHQODYMOKKHDI-UHFFFAOYSA-N 321.289 -0.039 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@](O)(C(N)=O)C1 348189582 OJSPGMHTCXLXFP-CQSZACIVSA-N 322.321 -0.236 5 10 DBBE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 355493033 AWVXRSJPZOUBLL-SNVBAGLBSA-N 323.309 -0.610 5 10 DBBE C[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC(=O)N1 593605838 LDEQCVKTVBFFKQ-LLVKDONJSA-N 314.323 -0.063 5 10 DBBE CN(CCn1cccn1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599235590 XQIGVCNBSKGVSY-UHFFFAOYSA-N 314.327 -0.155 5 10 DBBE O=C(CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)NCCO 1149907718 CHVKOSXEMGBOMN-RYUDHWBXSA-N 307.306 -0.077 5 10 DBBE O=C1CN(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1 1447556551 YNWZXCSYFALQMG-CYBMUJFWSA-N 322.321 -0.824 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC(=O)CN1C(=O)NC(C)(C)C1=O 1459293871 CYBVPSFCTZADTF-UHFFFAOYSA-N 310.270 -0.403 5 10 DBBE CO[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@](C)(CO)C1 1644128922 JWQHHDDXWABVKD-FRRDWIJNSA-N 314.342 -0.376 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnn(C)n1 1737133089 SSLSHEZTUPYJDC-PSASIEDQSA-N 310.314 -0.941 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(N2CC(S(=O)(=O)NC)C2)[nH]1 2187307779 RJPMACSZMKXZGZ-UHFFFAOYSA-N 301.328 -0.809 5 10 DBBE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1c1ncc(Cl)cc1[N+](=O)[O-] 2200857976 IVLMKNSEFTXVSD-GJMOJQLCSA-N 303.658 -0.362 5 10 DBBE Cc1ccn(CCS(=O)(=O)CC(=O)O)c(=O)c1[N+](=O)[O-] 2203257723 ZGWWFWMDDKVTAE-UHFFFAOYSA-N 304.280 -0.436 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N1C[C@H](O)[C@@H](O)C1 236601159 KSQYJAJDSAUAAW-IUCAKERBSA-N 306.271 -0.540 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCOc1ncccc1F 437815874 UOMQIRDBVZHSPR-UHFFFAOYSA-N 310.245 -0.084 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 596432549 HBIGJFIEFDXTMI-HTQZYQBOSA-N 302.312 -0.204 5 10 DBBE CC[C@@](C)(NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)OC 599229383 NXQLJFWWXLLXND-SNVBAGLBSA-N 320.327 -0.052 5 10 DBBE C[C@@H](CS(C)(=O)=O)N(C)c1ncnc(NN)c1[N+](=O)[O-] 688531838 DCCYGFRGQXHTJC-LURJTMIESA-N 304.332 -0.460 5 10 DBBE C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859122304 FIDXGDLUDNQRLW-ZETCQYMHSA-N 317.327 -0.821 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1cc(=O)cc[nH]1 1141871548 SZJYDVNQZCXXLA-UHFFFAOYSA-N 304.262 -0.239 5 10 DBBE CNC(=O)NC[C@@H]1COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] 1302863204 KHMBPNGYVDZDMX-SNVBAGLBSA-N 316.358 -0.022 5 10 DBBE C[C@@H]1C(=O)N(NC(=O)CCn2cc([N+](=O)[O-])cn2)C(=O)N1C 1557580265 ZRBKHQXSDDFBIV-SSDOTTSWSA-N 310.270 -0.505 5 10 DBBE COC(=O)Cc1ccc(N2CCN[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 1651341368 MLSGWQZVABAPTQ-SNVBAGLBSA-N 322.321 -0.426 5 10 DBBE NNc1ccc(S(=O)(=O)NCC2COC2)c([N+](=O)[O-])c1 2154133460 SITYVCVOVRSMKE-UHFFFAOYSA-N 302.312 -0.195 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1ccc(F)c([N+](=O)[O-])c1 2157546159 LTIJURHYXQNUAY-UHFFFAOYSA-N 306.275 -0.743 5 10 DBBE C[C@@H](N=c1nc([N+](=O)[O-])[nH]n1C)[C@H]1CCCS(=O)(=O)C1 2159179912 DSECZGUFWMCMDE-SFYZADRCSA-N 303.344 -0.230 5 10 DBBE CNS(=O)(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)n2)C1 2170581992 VWXYFZRLMRVKLT-SSDOTTSWSA-N 301.328 -0.300 5 10 DBBE CNc1sc(S(=O)(=O)N2CC(O)(CO)C2)cc1[N+](=O)[O-] 2171955091 VMTFAMUNTVQZFY-UHFFFAOYSA-N 323.352 -0.574 5 10 DBBE O=C(O)[C@H](Nc1cccc([N+](=O)[O-])n1)C1CS(=O)(=O)C1 2197526276 RUPMEOGLTNDOQM-SECBINFHSA-N 301.280 -0.101 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@](O)(CO)[C@H](O)C1 2234105024 KUNFLPQWEAGCPL-KCJUWKMLSA-N 302.308 -0.414 5 10 DBBE O=Cc1ccc(O[C@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1 37693031 PFRJYRZFNBBAEY-KOLCDFICSA-N 301.276 -0.056 5 10 DBBE CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)CC1 157448597 ALRZGQVWJDYMFY-UHFFFAOYSA-N 321.384 -0.122 5 10 DBBE COc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)n[nH]1 158952959 ZWSOOGGYZTYLIR-UHFFFAOYSA-N 300.256 -0.083 5 10 DBBE NC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 361616461 YTFVAZGEJQYZSM-ZCFIWIBFSA-N 321.336 -0.469 5 10 DBBE C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F)[C@H](O)CO 698921946 YTSCZPRCQWAGBM-HZGVNTEJSA-N 308.287 -0.246 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@@H]2CCO)c1 762337524 HRKWVGOWYDTJSX-JQWIXIFHSA-N 300.315 -0.765 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCS[C@H]2COCC[C@H]21 1253217809 LEXSJWWHGGUSCW-BDAKNGLRSA-N 313.339 -0.081 5 10 DBBE Cn1cc(-c2noc(Cn3cc([N+](=O)[O-])ccc3=O)n2)nn1 1332044292 KBBDPVJHZDRSDY-UHFFFAOYSA-N 303.238 -0.017 5 10 DBBE O=C(CCN1C(=O)CCNC1=S)Nc1cc([N+](=O)[O-])n[nH]1 1471842012 XSRDDNZEXIKQHU-UHFFFAOYSA-N 312.311 -0.247 5 10 DBBE CN(C)C(=O)O[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1522382398 HDYFTQDLRAJOQJ-MRVPVSSYSA-N 312.286 -0.515 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCC[C@H](NS(C)(=O)=O)C2)n1 1612667624 ZQDKXCPPGGRQMA-QMMMGPOBSA-N 303.344 -0.154 5 10 DBBE CNC(=O)CN1CCCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 1620596396 NEBDGFIOMBJMCF-UHFFFAOYSA-N 310.358 -0.418 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2[C@@H]1CCCN2CCO 1646490345 YYHIIGDZCBSIAK-QWRGUYRKSA-N 309.326 -0.011 5 10 DBBE CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc([N+](=O)[O-])cc1 1861034238 UBDYQTKVIPVACJ-SNVBAGLBSA-N 308.294 -0.295 5 10 DBBE C[C@@H](CS(=O)(=O)N(C)C)Nc1ncnc(N)c1[N+](=O)[O-] 2151146091 WAYDMGLBHDFBBK-LURJTMIESA-N 304.332 -0.341 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN=[S@](C)(=O)N2CCNCC2)n1 2159112189 ACDAPZZAUVPSDM-FQEVSTJZSA-N 302.360 -0.254 5 10 DBBE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1ncnc(N)c1[N+](=O)[O-] 2170281851 CICOYAVDZNLKRD-RNFRBKRXSA-N 301.328 -0.021 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@@H]1Nc1ncnc(N)c1[N+](=O)[O-] 2207456839 FOQJZRQLNBPICM-NTSWFWBYSA-N 303.300 -0.809 5 10 DBBE CS(=O)(=O)[C@H](CN=c1[nH]c(=N)[nH]cc1[N+](=O)[O-])C1CC1 2232821774 QGZPIAXJCUHYIF-MRVPVSSYSA-N 301.328 -0.546 5 10 DBBE CS(=O)(=O)C1(C(=O)O)CN(c2ncc([N+](=O)[O-])s2)C1 2351786607 SQJIKFXSHDTTLH-UHFFFAOYSA-N 307.309 -0.261 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 45012003 QPBWNOVMIOXMMF-UHFFFAOYSA-N 317.327 -0.705 5 10 DBBE CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N)C(N)=O 50676817 ACLHYIPTCPTQAF-UHFFFAOYSA-N 302.312 -0.281 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)NC)CC2)n1 427477853 CBJVLXBPLCBIHV-UHFFFAOYSA-N 310.314 -0.092 5 10 DBBE CCS(=O)(=O)C1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 598382917 KQLPUTYSQXONRS-UHFFFAOYSA-N 316.339 -0.125 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCNC[C@@](C)(F)C2)n1 599106422 GMZQOZXQGAOWPJ-SNVBAGLBSA-N 321.334 -0.350 5 10 DBBE C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599261347 ONXXPZTWYDHFQQ-SFYZADRCSA-N 320.327 -0.901 5 10 DBBE O=C(O)[C@H]1C[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])nc1 715284611 KXOZKXUTAYVSSL-XPUUQOCRSA-N 301.280 -0.011 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCN(C(N)=O)C1 1136660738 CGSFBOOJYSXHSE-SECBINFHSA-N 310.314 -0.241 5 10 DBBE O=C1NCCO[C@H]2CCCN(C(=O)c3c[nH]nc3[N+](=O)[O-])[C@@H]12 1152823630 PXDPMZSJGFGYTN-DTWKUNHWSA-N 309.282 -0.563 5 10 DBBE CN(CCNC(=O)c1ccc([N+](=O)[O-])o1)CCOCCO 1175822786 QUKRPTDXNRAHIK-UHFFFAOYSA-N 301.299 -0.142 5 10 DBBE O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CC(CO)C1 1323648897 IEICKGDEBZGTRV-UHFFFAOYSA-N 307.306 -0.296 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NCCN2C(=O)CNC2=O)n1 1528985179 YVKAHJAJBCYPNO-UHFFFAOYSA-N 307.266 -0.420 5 10 DBBE C[S@](=N)(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1644173790 JVQMEHXGRXONMQ-OAQYLSRUSA-N 316.343 -0.473 5 10 DBBE Cc1ncn(C)c1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703579103 TXTYEABZDGFDME-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1N=c1[nH]c(Cl)ncc1[N+](=O)[O-] 2192681143 ZVPCEWVXINVBJH-FSPLSTOPSA-N 321.746 -0.743 5 10 DBBE O=[N+]([O-])c1cccnc1NS(=O)(=O)C[C@@H]1CNCCO1 2202433287 FUDUDPXSPYWQEV-QMMMGPOBSA-N 302.312 -0.280 5 10 DBBE Nc1cc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(Cl)cc1[N+](=O)[O-] 2234227700 NBWDTEOEFRPKEF-GARJFASQSA-N 303.702 -0.267 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1OCCO 354595687 NAFLGFHLAAWOLN-UHFFFAOYSA-N 321.293 -0.126 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC(N)=O)C(=O)C1 458045669 KRLSAGQTXLJCPG-UHFFFAOYSA-N 320.305 -0.327 5 10 DBBE CNS(=O)(=O)NCC(=O)NCc1cccc([N+](=O)[O-])c1 517215917 JRORRRPYDXTMCV-UHFFFAOYSA-N 302.312 -0.735 5 10 DBBE CN1C[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1=O 525702270 IQKUBQFCCHLFAP-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1=O 594770845 PMMAWOAWHSKCCE-QMMMGPOBSA-N 314.323 -0.111 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@@H](CO)O1 594778758 HEMZTFHPFQRGSN-BDAKNGLRSA-N 317.323 -0.240 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOC[C@@H]1C(F)(F)F 610047677 LLVZIKJNGUGWPN-ZCFIWIBFSA-N 309.204 -0.024 5 10 DBBE CO[C@@]1(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)CCOC1 692845433 HXMWHVYMLQGYSG-SECBINFHSA-N 306.300 -0.756 5 10 DBBE O=C(O[C@H]1C[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)[C@@H]1C[C@H]1[N+](=O)[O-] 851005922 CPJONTGJVPJQFP-ZXEGLVKPSA-N 314.250 -0.066 5 10 DBBE CS(=O)(=O)[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 1132984467 OTOQTWFIWMIGIW-XWEPSHTISA-N 302.312 -0.517 5 10 DBBE CN(C)CCn1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1 1349522805 WQBPUCFQVWPNDV-UHFFFAOYSA-N 308.302 -0.417 5 10 DBBE CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cn1ncnn1 1493551311 XPRSYZLOKLYRBT-UHFFFAOYSA-N 319.325 -0.171 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCS(=O)(=O)C1 1524218877 HKUWHOIGOUEDQK-QMMMGPOBSA-N 317.327 -0.873 5 10 DBBE COc1ccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1575822946 UBVDUDDOPCDDJZ-GHMZBOCLSA-N 322.321 -0.009 5 10 DBBE COC(=O)C[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CCO1 1634680148 CXWGVMULGFTBHB-VIFPVBQESA-N 324.293 -0.024 5 10 DBBE NC(=O)N1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 1637116862 PPVCAUCSMGFKBX-VIFPVBQESA-N 310.314 -0.302 5 10 DBBE COC1(OC)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O 1638765314 SVENWLVKKNTMED-SNVBAGLBSA-N 314.298 -0.626 5 10 DBBE Cc1ncc(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C 1758432717 HDRKPFZHCAMXFX-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE CNc1ncnc(N2CCS(=O)(=O)CCO2)c1[N+](=O)[O-] 2146460978 SZEVCMBCBLPZEP-UHFFFAOYSA-N 303.300 -0.407 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCNNCC2)cc1 2152186108 FNKYPXNGHNLZQX-UHFFFAOYSA-N 300.340 -0.166 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1nn(C)cc1[N+](=O)[O-] 2159113264 PXUNAPLLOUNXJG-WCBMZHEXSA-N 304.328 -0.770 5 10 DBBE O=C(O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])o2)CCS1(=O)=O 2197723658 URFNUTGBMRDBDQ-QMMMGPOBSA-N 304.280 -0.129 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC([C@H](O)CO)C2)cc1 2361985502 AYIHFLUWIBFETN-LLVKDONJSA-N 302.308 -0.432 5 10 DBBE CO[C@H]1C[C@@H](C(=O)O)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 262102766 FOYGVYAFDUYHFG-UWVGGRQHSA-N 312.282 -0.118 5 10 DBBE COC[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599241205 OAJFGRLDARSFEB-MRVPVSSYSA-N 304.328 -0.015 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 600242357 UMBITOBVHRFBNP-KOLCDFICSA-N 309.278 -0.579 5 10 DBBE Cc1c(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)cnn1C 692700292 MHYJVMBTMWBXGS-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE C[C@@H]1CN(C(=O)COC(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 772056692 JBBKJNQEXBLSFJ-MRVPVSSYSA-N 312.282 -0.268 5 10 DBBE Cc1noc(CN2CCN3[C@@H](CNS3(=O)=O)C2)c1[N+](=O)[O-] 1176414690 ZGWAZJYPEOKICK-QMMMGPOBSA-N 317.327 -0.775 5 10 DBBE CN(C)C[C@@]1(O)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 1307189401 FOJHFHBKPUQWDG-ZDUSSCGKSA-N 309.326 -0.409 5 10 DBBE O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1[C@H]2COC[C@H]21 1322964712 FCEAGTNDCZTEOO-GDNZZTSVSA-N 305.290 -0.028 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1(C(F)F)OCCO1 1461566102 UBKLXGZFEFEIMR-UHFFFAOYSA-N 319.220 -0.162 5 10 DBBE CCOC(=O)COCCNC(=O)Cn1cc([N+](=O)[O-])nc1C 1468159542 VDWFFOIUMYMDRA-UHFFFAOYSA-N 314.298 -0.204 5 10 DBBE Cn1nccc1CN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1570759926 SRWCXNKCPQGHKA-VXGBXAGGSA-N 323.353 -0.862 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)CN2CCCC2=O)n1 1595708492 LIADZEZIXCZUSY-QMMMGPOBSA-N 311.298 -0.959 5 10 DBBE CN(Cc1nnc2n1CCNC2=O)c1ccnc(O)c1[N+](=O)[O-] 1612903268 KODGCSCBUTXUPB-UHFFFAOYSA-N 319.281 -0.333 5 10 DBBE O=C(N[C@@H]1[C@H]2COC[C@H]21)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1618618895 YLGQEOZHJPYSEE-IAZYJMLFSA-N 316.277 -0.055 5 10 DBBE Cc1[nH]nc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c1[N+](=O)[O-] 1629589877 AGBGXDVYPAVJFF-WCBMZHEXSA-N 310.358 -0.010 5 10 DBBE NC(=O)[C@H](O)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 1634601066 JCZZGAXZDBSHPH-LLVKDONJSA-N 307.306 -0.021 5 10 DBBE NC(=O)C1(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 1687284227 SNPXUKQLRFWQFA-NXEZZACHSA-N 324.337 -0.976 5 10 DBBE CN(C)CCCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1721393991 YXRCKAWYUNAUOE-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NCC[C@@H](O)CO 2182235174 NZCLCUZVVWDVGU-MRVPVSSYSA-N 308.287 -0.245 5 10 DBBE Cc1cc(=N[C@@H]2CNC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])c[nH]1 2192656426 KQEVLQHWTLFBCX-MWLCHTKSSA-N 300.340 -0.483 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc(N)cc2[N+](=O)[O-])CC1=O 84207768 PETFGLDKVDMLBE-UHFFFAOYSA-N 314.323 -0.360 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)O 157107600 ZMAODXLYPIQMEM-SVGQVSJJSA-N 322.270 -0.154 5 10 DBBE C[C@@H](COc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C(N)=O 216107193 MVNYFGJXEKMARX-LURJTMIESA-N 303.296 -0.258 5 10 DBBE CCOC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC12COC2 450567554 UFSLWIXVSBSBJU-MRVPVSSYSA-N 323.309 -0.017 5 10 DBBE COCCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 595107963 NAGYMMQWCGBKAK-UHFFFAOYSA-N 304.328 -0.496 5 10 DBBE O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC(O)(CO)C1 597705327 LCNJHZFMZKKXJX-UHFFFAOYSA-N 318.289 -0.040 5 10 DBBE COCC[C@@](C)(O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599242010 SSIOROOHSSYBAE-SNVBAGLBSA-N 322.343 -0.606 5 10 DBBE O=C1NCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 693856327 PTFDBAVYARDIBV-MRVPVSSYSA-N 303.271 -0.099 5 10 DBBE CS(=O)(=O)c1ccc(O[C@H](CN)C(=O)O)c([N+](=O)[O-])c1 715438299 SNNVMBUTTYLYJJ-SECBINFHSA-N 304.280 -0.211 5 10 DBBE CC(C)C1(O)CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 859127499 AYHKPNCIARXSAB-UHFFFAOYSA-N 304.328 -0.280 5 10 DBBE CCO[C@H](C)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1118912612 CMEPAHSJSGBCID-ZCFIWIBFSA-N 306.300 -0.442 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(CC(N)=O)CC2)n1 1294688478 YDOXHJLDRKNDIH-UHFFFAOYSA-N 307.310 -0.459 5 10 DBBE COc1ncc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1355876061 HNIFMPIJVBBFQG-NXEZZACHSA-N 323.309 -0.661 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H](O)[C@@H]1CCCO1 1453441388 ZWERNJXDGVWZSH-NEPJUHHUSA-N 311.294 -0.587 5 10 DBBE CN(CCNC(=O)c1cnn(C)n1)Cc1c([N+](=O)[O-])ncn1C 1480926893 WLXGCVRNNPKLER-UHFFFAOYSA-N 322.329 -0.681 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1ccnc1 1523406115 MNBCUZWPVLAHRV-GHMZBOCLSA-N 309.326 -0.487 5 10 DBBE Cc1nn(C)c(NC[C@@]2(O)CCS(=O)(=O)C2)c1[N+](=O)[O-] 1559191410 LDSFOAHOPDSETK-JTQLQIEISA-N 304.328 -0.402 5 10 DBBE Cc1ccc(CNC(=O)CN2CCNC(=O)C2)cc1[N+](=O)[O-] 1587559867 MAZJCNHWYPPSKB-UHFFFAOYSA-N 306.322 -0.049 5 10 DBBE CN(Cc1ccccc1S(N)(=O)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1628414339 WUQMLANCYFTMTI-NXEZZACHSA-N 313.335 -0.042 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2CCNC(=O)CC2)c1=O 1640835556 ZGVJWTQMDSKMCV-QMMMGPOBSA-N 308.294 -0.228 5 10 DBBE O=[N+]([O-])c1ccn(CCN2CCS(=O)(=O)C[C@@H]2CCO)n1 1648382512 POOJZEDGOVAWIP-JTQLQIEISA-N 318.355 -0.727 5 10 DBBE O=C(N[C@H]1C[C@H](CNCC(=O)N2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1700631539 GGMWOSVFQWDGGK-DDHJBXDOSA-N 310.354 -0.632 5 10 DBBE O=C(NC1(CCO)CN(C(=O)C2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1718215886 FJAPANNQNUHXSL-GHMZBOCLSA-N 311.338 -0.469 5 10 DBBE N=c1ccc([N+](=O)[O-])c(N2CCC[C@@H]2CS(N)(=O)=O)[nH]1 2146418791 PDMBIVYTLZQKDY-SSDOTTSWSA-N 301.328 -0.340 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(=O)O 2176839285 CIWWVBSCGZILCO-HZGVNTEJSA-N 304.280 -0.293 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@@H]1OCC[C@H]1F 2179087090 GUGVCBBHLMTLRL-RQJHMYQMSA-N 308.291 -0.126 5 10 DBBE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1nc(Cl)ncc1[N+](=O)[O-] 2234069541 RWXQONSQBJIVLN-CSMHCCOUSA-N 304.690 -0.405 5 10 DBBE CO[C@H](CCS(C)(=O)=O)CN=c1[nH]cncc1[N+](=O)[O-] 2364060465 GNQPGXOYERZYOO-MRVPVSSYSA-N 304.328 -0.332 5 10 DBBE COCCNC(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1C 87892115 ZDYFSFMZSHQHEH-UHFFFAOYSA-N 317.323 -0.073 5 10 DBBE Cn1ccnc1CCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 124669357 XWDNJJIGUAKCLO-UHFFFAOYSA-N 300.300 -0.585 5 10 DBBE Cn1cnnc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 125462639 LCHIHJGUJBMEJJ-UHFFFAOYSA-N 318.340 -0.155 5 10 DBBE NNc1cccc(S(=O)(=O)N2CC[C@H](O)C2)c1[N+](=O)[O-] 126776081 NTAPWXHYVZFCCF-ZETCQYMHSA-N 302.312 -0.364 5 10 DBBE CCn1cc(S(=O)(=O)N2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])n1 595122297 JHDXHVXJQZUABO-HTQZYQBOSA-N 321.334 -0.129 5 10 DBBE CNCCOCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1118919327 IYUDMHCCTNKKIC-UHFFFAOYSA-N 324.337 -0.437 5 10 DBBE NC(=O)C1(O)CN(c2ncc(Br)cc2[N+](=O)[O-])C1 1187326146 LNYFZIMAZLDBKW-UHFFFAOYSA-N 317.099 -0.211 5 10 DBBE O=C(N[C@H]1[C@@H]2CN(CCOCC(F)F)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 1662040313 FSGGAGFTGFOYLF-GPTQDWHKSA-N 319.308 -0.020 5 10 DBBE CN(CCCNC(=O)c1cncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720512568 PPPMWEUIKUPIEC-NXEZZACHSA-N 309.326 -0.336 5 10 DBBE Cc1noc(CCC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1721362405 RKMNYXOEQYIOLJ-NXEZZACHSA-N 323.309 -0.697 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=N[C@H]1CS(=O)(=O)C[C@H]1O 2121333139 JSAAUOQSXLOJAQ-POYBYMJQSA-N 307.715 -0.365 5 10 DBBE O=[N+]([O-])c1cnc(NS(=O)(=O)N2CC(O)C2)c(Cl)c1 2272887747 XAHVYPINUNCLHA-UHFFFAOYSA-N 308.703 -0.024 5 10 DBBE NNc1sc(S(=O)(=O)N2CC[C@@H](CO)C2)cc1[N+](=O)[O-] 167834345 SGXMFHJWJCVRGV-ZCFIWIBFSA-N 322.368 -0.055 5 10 DBBE CC(C)[C@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O 255206896 DNAWGBOKUFFVMB-POGFSQCLSA-N 315.366 -0.315 5 10 DBBE in-vitro CN1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@H]21 301661277 MTOCJMHIVBARRL-MNOVXSKESA-N 307.310 -0.392 5 10 DBBE CC(C)(C(=O)N1CCn2c(O)nnc2C1)n1cc([N+](=O)[O-])cn1 438429996 LXPLNKMRMVMCMK-UHFFFAOYSA-N 321.297 -0.134 5 10 DBBE O=C(NCCCn1cc(CO)nn1)c1ccc([N+](=O)[O-])cn1 589535024 WSDKCXVPCSJJNT-UHFFFAOYSA-N 306.282 -0.106 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@H]([C@@H]2CCCO2)C1 610687332 CDBBZBWDFRYVDV-UWVGGRQHSA-N 311.298 -0.407 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H](O)C[C@@H]1CO 698139054 NPLBPRZKCPYVAW-RKDXNWHRSA-N 302.308 -0.289 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CNC[C@@H]1O 705694802 JSEGGNXDZSAXEG-SCZZXKLOSA-N 301.324 -0.547 5 10 DBBE C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C(=O)O1 845936262 WDTNXFXUXFXBSN-XPUUQOCRSA-N 301.280 -0.028 5 10 DBBE CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 1318549828 ROQRICIFYOSOLJ-QMMMGPOBSA-N 319.343 -0.532 5 10 DBBE CC(=O)N1CCN(CCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1341675489 NXLMCADFCFUFJT-UHFFFAOYSA-N 324.341 -0.778 5 10 DBBE Cn1cncc1CC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1356822707 BVJMNSPBAXKYKB-VXGBXAGGSA-N 321.337 -0.798 5 10 DBBE CN1CCC(CCO)(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1632168615 BCKRIENQWHTFFA-UHFFFAOYSA-N 312.330 -0.851 5 10 DBBE C[C@H]1C(=O)NCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1637030486 VUNBRNWTAIXPOJ-VIFPVBQESA-N 308.294 -0.507 5 10 DBBE O=C1NCCO[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@H]12 1650788628 NWDCOVWCQGMTME-WPRPVWTQSA-N 309.282 -0.563 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC1(O)CCC1 1704276541 WVNFUXIDCGXYNJ-GHMZBOCLSA-N 313.354 -0.079 5 10 DBBE NC[C@H](Oc1c(Br)cncc1[N+](=O)[O-])C(N)=O 2007460008 USTLHEYNGFBMTQ-LURJTMIESA-N 305.088 -0.056 5 10 DBBE O=[N+]([O-])c1cnc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)s1 2087402917 SZVDZXBJMWSBIQ-NKWVEPMBSA-N 304.353 -0.374 5 10 DBBE C[C@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CC(=O)N1 2206201665 SAIBRJVMMKAFIO-SECBINFHSA-N 320.352 -0.205 5 10 DBBE O=C(N[C@H]1C[C@@H](CO)[C@H](O)[C@@H]1O)c1csc([N+](=O)[O-])c1 2355675716 WSYUILGRSKVDDI-ZGDSCGAWSA-N 302.308 -0.511 5 10 DBBE O=C(O)[C@H]1CNCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 88664335 LDKIPPWBZHCHCS-SNVBAGLBSA-N 315.307 -0.358 5 10 DBBE Nc1cc(S(=O)(=O)N2CCNC(=O)C2)ccc1[N+](=O)[O-] 131828402 DMYGWHDVRRZHGT-UHFFFAOYSA-N 300.296 -0.703 5 10 DBBE NC(=O)NCCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 147420648 KHTNJZDKDGODTQ-UHFFFAOYSA-N 303.300 -0.876 5 10 DBBE NNc1ccc(S(=O)(=O)NN2CCOCC2)cc1[N+](=O)[O-] 148568613 LJTUYNBUJQWZOR-UHFFFAOYSA-N 317.327 -0.594 5 10 DBBE CNc1nccc(C(=O)N2CCn3c(O)nnc3C2)c1[N+](=O)[O-] 571818904 LSPYVVDXQSEPIJ-UHFFFAOYSA-N 319.281 -0.015 5 10 DBBE COC(=O)c1cnc(N2CCO[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 599186204 AZHQVISPKIQGDN-SECBINFHSA-N 324.293 -0.143 5 10 DBBE Cc1[nH]nc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)c1[N+](=O)[O-] 1177596618 SRVKZUBXQRPFQA-SNVBAGLBSA-N 323.309 -0.349 5 10 DBBE O=C(CCc1cnccn1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1297142433 PJSXLNZCQQNDGG-VXGBXAGGSA-N 319.321 -0.599 5 10 DBBE Cc1ncn(C)c1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1299160426 OVRSGJSASHJITJ-NXEZZACHSA-N 321.337 -0.228 5 10 DBBE CN([C@H]1CCNC1=O)S(=O)(=O)c1ncccc1[N+](=O)[O-] 1327036336 ULCMORWWTDRNAH-ZETCQYMHSA-N 300.296 -0.501 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)C23CC(C2)C3)n1 1329410471 OTCVNOABZBJNDV-UHFFFAOYSA-N 300.296 -0.067 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n1 1535531303 RQECBIYQZMNYGM-AOOOYVTPSA-N 318.289 -0.015 5 10 DBBE CC1=NNC(=O)[C@@H]1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1627152709 IFRKOLSBAXUHRF-SNVBAGLBSA-N 321.293 -0.615 5 10 DBBE CCOC(=O)C[C@H](O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1630053243 VMNOPSFGVKIYSG-VIFPVBQESA-N 300.271 -0.778 5 10 DBBE O=C(NCC(=O)N1CC(CO)(CO)C1)c1cccc([N+](=O)[O-])c1 1651650087 URDVGBGHRGLPSG-UHFFFAOYSA-N 323.305 -0.862 5 10 DBBE O=C(Cn1cccn1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705261255 JDLIKUHFMBTCHB-NXEZZACHSA-N 307.310 -0.687 5 10 DBBE Cc1nnccc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759699886 ZLJCOCOEEUAJLQ-JGLYPNHGSA-N 319.321 -0.148 5 10 DBBE N[C@@H]1COC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 2149989102 SNJFQFGNHYSLCK-GHMZBOCLSA-N 301.324 -0.260 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)[C@H](C)O 2174115462 FTJCZOXBNZICPQ-WCBMZHEXSA-N 304.324 -0.077 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1N=c1c(Cl)c[nH]cc1[N+](=O)[O-] 2192681554 VMOANSOZRWQGRA-IONNQARKSA-N 320.758 -0.138 5 10 DBBE COCCS(=O)(=O)CCNCc1nn(C)cc1[N+](=O)[O-] 2204673229 NPHSITABCFMOMB-UHFFFAOYSA-N 306.344 -0.521 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@H]2CCCN2)n1 2240633879 YSUDYTYJSCVPSA-MRVPVSSYSA-N 303.344 -0.500 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCn2c(O)nnc2C1 358893406 SUBXGIUECOYLJW-UHFFFAOYSA-N 320.265 -0.904 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594762943 QPBMASUPUNTKJR-SSDOTTSWSA-N 300.296 -0.501 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@H](C(F)(F)F)C1 610067435 LAVXDVDPOMNRLL-LURJTMIESA-N 309.204 -0.024 5 10 DBBE Nc1ccnc(N2CCC[C@@H](S(N)(=O)=O)C2)c1[N+](=O)[O-] 707425262 WPMCKWFGBRXEDU-SSDOTTSWSA-N 301.328 -0.171 5 10 DBBE O=C(COC(=O)Cn1cnc([N+](=O)[O-])n1)OCC(F)(F)F 788921490 NGZLPVGQXZYACC-UHFFFAOYSA-N 312.160 -0.165 5 10 DBBE Cn1cc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 940202247 PPLCZKMAGSLCMF-VXGBXAGGSA-N 321.337 -0.240 5 10 DBBE CC(C)NC(=O)NCCN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1268301600 YVZNFTCTNQTCKM-GHMZBOCLSA-N 313.358 -0.840 5 10 DBBE O=C(NCC1(NCC(=O)N2CCC2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1280480111 BFKBDXZWBPWNSK-GHMZBOCLSA-N 310.354 -0.488 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1nn(C)cc1C 1296300256 BDHSHCNOINEAHP-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE CN(CCO)CCN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 1470573001 XMFSBYHZHRHJIX-UHFFFAOYSA-N 313.358 -0.091 5 10 DBBE CN(CCNC(=O)CCc1cncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1528515533 JFWMFHHNCPLHKB-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1N1CC2(C[C@H](O)CNC2=O)C1 1559280858 XXUSTBYUXBFCQO-VIFPVBQESA-N 309.326 -0.193 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1 1584199476 UHBUZICRICXJJV-CMPLNLGQSA-N 323.353 -0.001 5 10 DBBE COC(=O)[C@@H](CCF)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1631947449 USQIIKAGBULPSM-MRVPVSSYSA-N 315.257 -0.226 5 10 DBBE O=C1[C@H](N2C[C@@H](O)[C@@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 1646100842 GUYKJRYNUPICDJ-LERXQTSPSA-N 321.333 -0.015 5 10 DBBE CO[C@@H]1COCC[C@H]1N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1659966673 FGPFSLKHPVSTLB-JHJVBQTASA-N 314.342 -0.112 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ncnn1CCF 1663180920 SHSVGLFCYCEADI-NXEZZACHSA-N 314.321 -0.539 5 10 DBBE N[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2148815663 HKEBLCASRFYJAY-RKDXNWHRSA-N 302.312 -0.616 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 2157544477 FVJLMJACTKOCBB-UHFFFAOYSA-N 322.730 -0.229 5 10 DBBE C[C@@]1(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)CSCCO1 2201240321 UOLXEXRZPGOBQQ-SECBINFHSA-N 322.368 -0.039 5 10 DBBE CS(=O)(=O)NCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] 30546851 NGUVKDURRQYLGY-UHFFFAOYSA-N 302.312 -0.345 5 10 DBBE Cn1nc(-c2nonc2[N+](=O)[O-])nc1-c1nonc1[N+](=O)[O-] 59453792 OCTHYIJPRJMQHA-UHFFFAOYSA-N 309.158 -0.269 5 10 DBBE C[C@H](O)CNCCNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 132249851 VMDRHVYARUEMMO-QMMMGPOBSA-N 321.330 -0.017 5 10 DBBE C[C@H](C(N)=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 301916147 DOHOBTMXVZHXIN-SECBINFHSA-N 319.325 -0.367 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCCN1CCO 452392766 ROZBWNSHPMRXDV-NSHDSACASA-N 311.342 -0.246 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1OC 599294552 DQUKGKUQXKWEHX-DTORHVGOSA-N 320.327 -0.637 5 10 DBBE CCOC(=O)[C@H]1CCCN(C(=O)Cn2ncc([N+](=O)[O-])n2)C1 863375515 VGJFOBAONGXQIN-VIFPVBQESA-N 311.298 -0.012 5 10 DBBE CCS(=O)(=O)C[C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1319631705 QYZFSZJJHNHKSX-ZETCQYMHSA-N 304.328 -0.119 5 10 DBBE Cc1cn(C)nc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1533492404 JQXYABQEOFQRFJ-YIZUVKHSSA-N 321.337 -0.204 5 10 DBBE CNC(=O)NCC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 1632080378 DUVSETCMTXHKJV-CYBMUJFWSA-N 310.310 -0.153 5 10 DBBE CC1(C)CC(=O)NCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 1655335878 PHGQZHMJJORYCI-NSHDSACASA-N 311.342 -0.247 5 10 DBBE CCNC(=O)CN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1699689466 ZNRPXQALWCFCOI-WUHRBBMRSA-N 324.381 -0.147 5 10 DBBE O=C(CN1CCCC1=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1705261376 NPVJYNHQQKSUNJ-NXEZZACHSA-N 324.337 -0.961 5 10 DBBE CC(C)N(C)CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1722131329 FWNXRDBWQMDJLT-VXGBXAGGSA-N 312.370 -0.339 5 10 DBBE Cc1nn(C2CCS(=O)(=O)CC2)c(C(N)=O)c1[N+](=O)[O-] 2069807333 QMHWPPLBXZAVHZ-UHFFFAOYSA-N 302.312 -0.052 5 10 DBBE NNc1ccc([N+](=O)[O-])c(N2CCS(=O)(=O)CCO2)n1 2146458983 DBRYDJPUYWLCQE-UHFFFAOYSA-N 303.300 -0.558 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2CNCCSC2)c1 2153604457 FJJHALZRJPTPKP-MRVPVSSYSA-N 318.380 -0.027 5 10 DBBE CC(C)N(C)C(=O)Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156804414 ARXKXBWPUCNSKD-UHFFFAOYSA-N 305.316 -0.695 5 10 DBBE CNC1CN(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)C1 2159025328 MYMXPHSMYKTEQE-UHFFFAOYSA-N 300.340 -0.167 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@H]2CS(=O)(=O)C[C@H]2OC)[nH]1 2238916782 WWANSNGFVHWDSG-IONNQARKSA-N 304.328 -0.543 5 10 DBBE NNc1ccc([N+](=O)[O-])c(NCCS(=O)(=O)CCO)c1 2361006175 TYWPUCSVHWXVRE-UHFFFAOYSA-N 304.328 -0.301 5 10 DBBE CC(=O)NCCNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50655942 MDYFVWDZMACCIH-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE C[C@@H](NS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F)C(N)=O 50656963 NNZHKWRNGNTLRD-SCSAIBSYSA-N 306.275 -0.532 5 10 DBBE CCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 131305123 QIXRWACQUNBHRS-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE Nc1cc(N2CC(N3CC[C@@H](O)C3)C2)cc(CO)c1[N+](=O)[O-] 593505967 ZCYZLTYVEHXUJE-GFCCVEGCSA-N 308.338 -0.076 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CC[C@H]2[C@@H](N)C3)n1 858617218 UJTFZKIYBAAKJR-CIUDSAMLSA-N 315.355 -0.171 5 10 DBBE C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 1278757231 ZTYNGSSXBCYMIM-IWSPIJDZSA-N 310.314 -0.313 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCSC[C@H]1CO 1545889107 JLTSNFOSVMBPHP-SECBINFHSA-N 313.335 -0.307 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1(CO)CCOCC1 1566954548 YSRRWYQOHZTANV-UHFFFAOYSA-N 311.294 -0.586 5 10 DBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@H](O)[C@@H](CO)C1 1642401838 PDZKOBYPAHTDQI-MFKMUULPSA-N 320.305 -0.244 5 10 DBBE O=C(NC1(CCO)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1 1678363357 ABVGRCYRNRPQBX-GHMZBOCLSA-N 311.338 -0.469 5 10 DBBE NC(=O)C1(O)CN(C(=O)c2cc(Cl)ncc2[N+](=O)[O-])C1 1915225241 WYNYIYNEKHNIDV-UHFFFAOYSA-N 300.658 -0.685 5 10 DBBE O=[N+]([O-])c1cnc(N2CCN[C@H]3CS(=O)(=O)C[C@@H]32)s1 2087402916 SZVDZXBJMWSBIQ-BQBZGAKWSA-N 304.353 -0.374 5 10 DBBE O=[N+]([O-])c1ccc(CN2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)o1 2143711905 GBCMBEILICJVNG-ZJUUUORDSA-N 301.324 -0.241 5 10 DBBE CC(C)S(=O)(=O)N(C)Nc1nc(NN)ncc1[N+](=O)[O-] 2365290751 UOWHEJBJHNAWNJ-UHFFFAOYSA-N 305.320 -0.333 5 10 DBBE CN([C@@H]1CNC[C@H]1O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 36266856 MXQRAPUTPYLROE-GHMZBOCLSA-N 301.324 -0.452 5 10 DBBE COCCNC(=O)CN1CCN(c2ccncc2[N+](=O)[O-])CC1 66797078 UCAKIZCVWVRQSY-UHFFFAOYSA-N 323.353 -0.126 5 10 DBBE C[C@@](O)(CO)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 90287593 XUAYRBMNVUYAGU-NSHDSACASA-N 304.324 -0.243 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCOC[C@H]2CO)cc1[N+](=O)[O-] 157461737 IEJOCPBCYACLJS-MRVPVSSYSA-N 317.323 -0.441 5 10 DBBE CN(CCCO)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 302448040 OBTBIIRYXGGLPU-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE C[C@H](C[S@](C)=O)NC(=O)c1cc([N+](=O)[O-])ncc1NN 379843376 KDJCRUOLWSXYGB-ZFFJSCCISA-N 301.328 -0.228 5 10 DBBE CC(C)N(C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599288886 XZMUZBPFSHPQAY-UHFFFAOYSA-N 305.360 -0.053 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CNC[C@@H]2O)cc1 699963267 UEHISYLOWGSJBG-MNOVXSKESA-N 301.324 -0.653 5 10 DBBE Cc1ccc(S(=O)(=O)NC[C@@H](O)[C@H](C)O)cc1[N+](=O)[O-] 717400049 BWOPZXGZEOHOJD-GZMMTYOYSA-N 304.324 -0.077 5 10 DBBE CCCNC(=O)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1316631582 ZUJJWVKGKPSBSO-DDHJBXDOSA-N 312.370 -0.338 5 10 DBBE O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(O)COC1 1540737021 FLGZVDHSKNCVAU-UHFFFAOYSA-N 308.294 -0.600 5 10 DBBE CNC(=O)C(C)(C)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1566564318 CBDHBZQYJCLUPB-UHFFFAOYSA-N 310.310 -0.355 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCn1cccnc1=O 1626963219 FRNVLKIXSFRFAB-UHFFFAOYSA-N 320.309 -0.137 5 10 DBBE NC(=O)c1ccnc(NCCN2CCNC2=S)c1[N+](=O)[O-] 1651530964 SPWPTRRXKDBVAV-UHFFFAOYSA-N 310.339 -0.309 5 10 DBBE O=C1NC[C@@H](O)CC12CCN(CCn1cc([N+](=O)[O-])cn1)CC2 1656350933 BCIQZZWECSOVEO-LBPRGKRZSA-N 323.353 -0.246 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cncnc1O 1687462531 VDCZOHUMYGBAFI-PSASIEDQSA-N 323.309 -0.574 5 10 DBBE CCN(CCNCCN1CCNC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1699180981 FSPWYDLPELFEMP-GHMZBOCLSA-N 313.358 -0.885 5 10 DBBE O=C(O)CNC(=O)CNC(=O)c1cn2cc([N+](=O)[O-])ccc2n1 1860399767 CRUBCXZIUWFFCH-UHFFFAOYSA-N 321.249 -0.827 5 10 DBBE Cn1cc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc([N+](=O)[O-])c1=O 1890534688 LLLGOBBECSBDSP-WDEREUQCSA-N 322.321 -0.816 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)c1cccc([N+](=O)[O-])c1N 2152955396 VHGDXYVQLPQMNE-LURJTMIESA-N 302.312 -0.416 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1c(F)cccc1[N+](=O)[O-] 2157530599 WOCLZPOIEIKWDG-UHFFFAOYSA-N 306.275 -0.743 5 10 DBBE O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1NC[C@@H](O)[C@H]1O 2201151047 XCAPXJXOIHPWPA-OPRDCNLKSA-N 301.686 -0.120 5 10 DBBE Cc1ccnc([N+](=O)[O-])c1OC1(C(=O)O)CS(=O)(=O)C1 2238464417 ZDRHAWUAMUHHIS-UHFFFAOYSA-N 302.264 -0.071 5 10 DBBE COC(=O)[C@H](CO)NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 35160649 GANXUCMPTALOIL-QMMMGPOBSA-N 300.271 -0.942 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1COC[C@H]1O 323439313 SCLJNPMJYLIGIB-RKDXNWHRSA-N 303.296 -0.785 5 10 DBBE NC(=O)CN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 351256362 FMWLHBBNHUZZJJ-UHFFFAOYSA-N 308.294 -0.457 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCOCC1 597616367 KQUHXORPSANMLI-SNVBAGLBSA-N 312.326 -0.644 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCCN2)n1 599098172 PXINYCUTAWODEU-QMMMGPOBSA-N 303.344 -0.251 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CNC[C@H]1O 699981377 HHHDPCSFEDUBGW-IONNQARKSA-N 305.287 -0.655 5 10 DBBE CC(C)N1CCO[C@@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 802140247 MHUFJKFHWAPHBM-SNVBAGLBSA-N 313.314 -0.161 5 10 DBBE O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCNCCNCC1 923460756 QPFHVMWXIBGXSD-CYBMUJFWSA-N 324.381 -0.171 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1ccncn1 1496011725 DZQJVNGJCZGMQM-VXGBXAGGSA-N 321.337 -0.351 5 10 DBBE Cn1cnc(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 1528213508 LMFKOZYTBZOXNQ-UHFFFAOYSA-N 305.294 -0.151 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(CC(N)=O)C2)n1 1627265825 TXTVJFZYGAWDHR-MRVPVSSYSA-N 310.314 -0.992 5 10 DBBE C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCS1(=O)=O 1643675014 QPXVZNUODXNKJC-SSDOTTSWSA-N 302.312 -0.413 5 10 DBBE Cc1nc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)co1 1672076138 HDHXMXYZTKMXLX-GHMZBOCLSA-N 310.310 -0.689 5 10 DBBE CN(CCCNC(=O)c1cnn[nH]1)Cc1c([N+](=O)[O-])ncn1C 1712956376 DQCQHQILEWNYJD-UHFFFAOYSA-N 322.329 -0.302 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2COC[C@@H]2CO)c1 2146507287 ZENTYTQGDBYMOH-OIBJUYFYSA-N 303.296 -0.725 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N[C@H](C(=O)O)C1CS(=O)(=O)C1 2197526031 QPOXBFSKSROMSH-ZETCQYMHSA-N 304.284 -0.762 5 10 DBBE Cc1ncc([N+](=O)[O-])c(N[C@@H]2CNC[C@H]2S(C)(=O)=O)n1 2286625133 XFTMQJWFVXSZFV-VXNVDRBHSA-N 301.328 -0.510 5 10 DBBE CS(=O)(=O)c1ccc([C@@H](N)[C@@H](O)C(=O)O)c([N+](=O)[O-])c1 2354590923 RHYYSMIWRXESBZ-RKDXNWHRSA-N 304.280 -0.556 5 10 DBBE Cc1nc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Cl)cc1[N+](=O)[O-] 2357893435 UHOANJHVOQBGAO-AEJSXWLSSA-N 303.702 -0.146 5 10 DBBE CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50678221 NTQAGLYPVNSEKG-SSDOTTSWSA-N 316.339 -0.020 5 10 DBBE C[C@H](O)[C@H](N)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 80749081 PHGCKYDDKDJFHU-IMTBSYHQSA-N 307.303 -0.280 5 10 DBBE CNC(=O)COc1c(C)cc([N+](=O)[O-])cc1S(N)(=O)=O 123208852 RBLBVJVAVRAZAU-UHFFFAOYSA-N 303.296 -0.325 5 10 DBBE CS(=O)(=O)NCCCNc1nc(NN)ncc1[N+](=O)[O-] 230976140 TYDOMFWMQNCLMI-UHFFFAOYSA-N 305.320 -0.978 5 10 DBBE Cc1nn(CCC(=O)NC[C@@H]2CNC[C@H]2O)c(C)c1[N+](=O)[O-] 262123343 FZXCDLFPPCQDAX-WDEREUQCSA-N 311.342 -0.505 5 10 DBBE CC(C)(O)CN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 301143682 HVYYHXOXLQLDCC-UHFFFAOYSA-N 323.353 -0.018 5 10 DBBE C[C@H](O)[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 565842515 FQHAMMHVKMBQAT-DTWKUNHWSA-N 317.323 -0.240 5 10 DBBE Cc1c(C(=O)N2CCOC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 597724941 VSYBLBYHUJEJDO-UHFFFAOYSA-N 315.307 -0.019 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CO)C2CCC2)n1 599338226 RFDRQXINAUVSDS-QMMMGPOBSA-N 304.328 -0.232 5 10 DBBE CN1CCOC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 600422603 WAXPVAJPEXRNPJ-LLVKDONJSA-N 311.342 -0.027 5 10 DBBE Cc1ncc(CC(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 1298396902 LGCCHTQOZAJSAW-JDEDCZITSA-N 322.321 -0.021 5 10 DBBE CC(C)N(C)CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357815124 RNJSHKWUPVEIIV-GKUNOOHESA-N 312.370 -0.220 5 10 DBBE CCS(=O)(=O)N(C)CC(=O)Nc1c([N+](=O)[O-])ncn1C 1532651477 CDHLDFGGXRDQSR-UHFFFAOYSA-N 305.316 -0.452 5 10 DBBE CS(=O)(=O)C[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1F 1639793818 VJZGOQQHUAYTEV-QMMMGPOBSA-N 320.298 -0.131 5 10 DBBE NCC1(O)CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 2154725866 FBNOKAOKIFJMJT-UHFFFAOYSA-N 321.742 -0.058 5 10 DBBE CCn1cc([N+](=O)[O-])c(=O)n(C[C@@H](O)P(C)(C)=O)c1=O 2237191595 IPZMWRVPIGYXLT-QMMMGPOBSA-N 305.227 -0.121 5 10 DBBE O=Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CS(=O)(=O)C[C@@H]1O 37693044 RKRRVKKSPICWJO-GXSJLCMTSA-N 301.276 -0.056 5 10 DBBE CCCn1cc([N+](=O)[O-])c(=O)n(Cc2nnsc2N)c1=O 111545501 WQZMGUKMLGKYCK-UHFFFAOYSA-N 312.311 -0.190 5 10 DBBE O=C(O)[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131143105 DLQDUHGXNGOENV-QMMMGPOBSA-N 308.243 -0.542 5 10 DBBE Cc1nc(NN)nc(N2CCC[S@](=O)CC2)c1[N+](=O)[O-] 322090887 TVCVUEIYDJRWOU-FQEVSTJZSA-N 300.344 -0.062 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)CN1 599099829 DJJCJIDITLSYKT-JGVFFNPUSA-N 303.344 -0.301 5 10 DBBE C[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599329752 QPSPANNKDDDXEK-BDAKNGLRSA-N 318.355 -0.033 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)c2cn(C)nn2)n1 845152850 GSUUQEASXVHAMZ-UHFFFAOYSA-N 308.254 -0.021 5 10 DBBE COC(=O)N1CC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 859073372 XPQNXQVIEQDYTH-UHFFFAOYSA-N 319.299 -0.943 5 10 DBBE NC(=O)NC(=O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 1307820836 SVWZMFBDVGVSPN-UHFFFAOYSA-N 308.298 -0.693 5 10 DBBE Cn1c(CNC(=O)Cn2cnc([N+](=O)[O-])n2)nnc1C1CCC1 1320232679 PISHJIKGTLYEBD-UHFFFAOYSA-N 320.313 -0.101 5 10 DBBE O=C(NCCC1CS(=O)(=O)C1)c1cnc(O)c([N+](=O)[O-])c1 1324420448 BBSAVFHRMJEEKI-UHFFFAOYSA-N 315.307 -0.140 5 10 DBBE COC(=O)C12CCC(CC1)N2C(=O)Cn1cnc([N+](=O)[O-])n1 1544351225 DBZSTESCZPALQN-UHFFFAOYSA-N 309.282 -0.117 5 10 DBBE COc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(C1)NC(=O)NC2=O 1607387121 NLQFEJZVYZCSEZ-UHFFFAOYSA-N 320.261 -0.363 5 10 DBBE C[C@H](O)[C@H](O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 1642581886 PDSFVBSKIIYOJR-OIBJUYFYSA-N 312.278 -0.163 5 10 DBBE Cc1nn(C)c(N2CCO[C@H](CS(C)(=O)=O)C2)c1[N+](=O)[O-] 1643248053 YUQRTWNKLBVGNM-VIFPVBQESA-N 318.355 -0.113 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(=O)O 2176839291 CIWWVBSCGZILCO-RCOVLWMOSA-N 304.280 -0.293 5 10 DBBE CO[C@@H](CCS(C)(=O)=O)CN=c1[nH]n(C)cc1[N+](=O)[O-] 2364225679 AOHWPKQTKODLQA-QMMMGPOBSA-N 306.344 -0.388 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCS(=O)CC2)cc1[N+](=O)[O-] 49693042 ABTZZTRQAYAEOS-UHFFFAOYSA-N 319.364 -0.070 5 10 DBBE C[C@@](O)(CO)CNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 90287486 VRNSYVIIQXOPHI-JTQLQIEISA-N 308.287 -0.245 5 10 DBBE C[C@H](Cn1cncn1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 150910416 IWYLGGSRSNVMDS-SECBINFHSA-N 308.302 -0.229 5 10 DBBE CC(C)[C@@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@H](O)[C@H]12)[C@H](C)O 299817460 DNAWGBOKUFFVMB-AKCLSAJKSA-N 315.366 -0.315 5 10 DBBE CS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])ncc1NN 312216331 VQRVPTLZRXZHGQ-UHFFFAOYSA-N 303.300 -0.950 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@](O)(CO)C2)cn1 313831608 ZLRZPZDJWMIYIW-SNVBAGLBSA-N 303.296 -0.892 5 10 DBBE NC(=O)CN(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 352024969 AZKGYWPBNCEADI-UHFFFAOYSA-N 318.293 -0.300 5 10 DBBE CN(C)C(=O)NCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594768170 RTOBGIBWENHOBO-UHFFFAOYSA-N 317.327 -0.461 5 10 DBBE COCC[C@H](CO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599297726 LKZLZLDRKRBHHT-SSDOTTSWSA-N 308.316 -0.996 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCNC1=O 710418821 BYCBZXCNKZSXEO-QMMMGPOBSA-N 300.296 -0.656 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](O)[C@H](C)O 717403436 WNMPCMVYHWBUNJ-WPRPVWTQSA-N 304.324 -0.077 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OC[C@@H]1CN(C2CC2)C(=O)O1 845101894 UCWXJYJKXPHIOH-QMMMGPOBSA-N 311.254 -0.287 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C[C@H](C)O)[C@H](C)CO 1161163589 FTGDIYUAZDSNCL-BDAKNGLRSA-N 300.315 -0.310 5 10 DBBE Nc1cc(N2CCC[C@@H]2CS(N)(=O)=O)ncc1[N+](=O)[O-] 2165863840 IGIXCACSRLDAJT-SSDOTTSWSA-N 301.328 -0.171 5 10 DBBE O=[N+]([O-])c1cnc(N2CC3(C2)OC[C@@H](O)[C@H]3O)c(Cl)c1 2183718028 QNXXABTUUBLFRP-RKDXNWHRSA-N 301.686 -0.046 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 113215691 FGWROBHIYMUZAE-ZETCQYMHSA-N 314.323 -0.314 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] 125589559 TUUMXWPMVUJROX-RXMQYKEDSA-N 320.352 -0.205 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 136254454 XJGPCCGIBHUQGE-ZCFIWIBFSA-N 302.312 -0.281 5 10 DBBE O=C(O)[C@@H](O)CCNS(=O)(=O)c1cncc([N+](=O)[O-])c1 312688080 BKRZKQVEBUNGIJ-QMMMGPOBSA-N 305.268 -0.896 5 10 DBBE COc1cccc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)n1 440651487 PXEAOHIGTXQIHD-UHFFFAOYSA-N 306.282 -0.051 5 10 DBBE COC(=O)[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccnn1C 592700792 JYRZYTVVLCUODI-NSHDSACASA-N 322.281 -0.445 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](CO)O1 593582554 OSFSNTVJSJMFDL-SCZZXKLOSA-N 317.323 -0.240 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccnc(O)c1[N+](=O)[O-] 697276854 DICSSTTXQHUYOW-YUMQZZPRSA-N 303.296 -0.081 5 10 DBBE CO[C@H](Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)[C@H]1CCOC1 1118413711 YFMRPBLTRTWHLT-GZMMTYOYSA-N 311.294 -0.093 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCC1 1265113420 MMEKJFWWLAFRIR-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE COC(=O)[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccnn1C 1329537768 DXJRQGGREHNCIN-JTQLQIEISA-N 322.281 -0.294 5 10 DBBE CCc1[nH]nc(C(=O)N[C@@H](CO)Cc2cnn(C)c2)c1[N+](=O)[O-] 1451805137 XYULQLVHLAICJE-SECBINFHSA-N 322.325 -0.053 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1nnc2n1CCC2 1624952341 CDHDVBURCYWORX-UHFFFAOYSA-N 305.298 -0.046 5 10 DBBE O=C1CN=C(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)N1 1650725204 XELZDGHTZWSELH-UHFFFAOYSA-N 320.261 -0.028 5 10 DBBE NC(=O)CC[C@@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O 1866090867 DSLYSMNPXOKRKV-SSDOTTSWSA-N 311.250 -0.251 5 10 DBBE O=[N+]([O-])c1nn(C[C@]2(O)CNC[C@@H]2O)cc1Br 1951004452 SNNSSKINVXPIDT-POYBYMJQSA-N 307.104 -0.751 5 10 DBBE CO[C@@H]1COC[C@@H]1n1nc([N+](=O)[O-])c(S(N)(=O)=O)c1C 2146724172 IYUMGFXQBFPMAP-NKWVEPMBSA-N 306.300 -0.667 5 10 DBBE Cc1nc(NN)nc(N2CC[S@](=O)[C@@H](C)C2)c1[N+](=O)[O-] 2171983207 XXPQRPUUAHYYAD-SVPXGXJHSA-N 300.344 -0.064 5 10 DBBE Cc1[nH]ccc(=N[C@H]2COC[C@H]2S(C)(=O)=O)c1[N+](=O)[O-] 2207474087 OLYZUAVADGGNJG-VHSXEESVSA-N 301.324 -0.056 5 10 DBBE COC[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])s1 2233866212 OVAGMWUXZRXLBN-MATHAZKKSA-N 302.308 -0.151 5 10 DBBE CO[C@H]1CNC[C@H]1Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 36268192 FPQVGLQCVXGHQH-KOLCDFICSA-N 316.339 -0.359 5 10 DBBE CCn1cc([N+](=O)[O-])c(=O)n(C[C@H](O)CNC(C)C)c1=O 111544536 XGFOZLCIJOVSNF-SECBINFHSA-N 300.315 -0.703 5 10 DBBE CNc1ncc([N+](=O)[O-])c(NCCCNS(C)(=O)=O)n1 230975423 LYNYGSBSLLZAGL-UHFFFAOYSA-N 304.332 -0.222 5 10 DBBE CN(C)C(=O)CN1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 364917407 UKCDUIRHDPYKLV-UHFFFAOYSA-N 308.342 -0.015 5 10 DBBE COc1ccc(CC(=O)N2CC[C@](O)(C(N)=O)C2)cc1[N+](=O)[O-] 552188108 CLUDPJSLOHJNAM-CQSZACIVSA-N 323.305 -0.405 5 10 DBBE O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC(O)(CO)C1 597704794 DRFHTDQGNIICOK-UHFFFAOYSA-N 319.277 -0.645 5 10 DBBE C[C@@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCN1 599108560 NDUHEZUNGNCINV-SFYZADRCSA-N 303.344 -0.253 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCSC[C@H]2CO)n1 599281632 GTZINGAVBAEPJC-SSDOTTSWSA-N 322.368 -0.573 5 10 DBBE Cn1cc(CN[C@](C)(Cn2cccn2)C(N)=O)c([N+](=O)[O-])n1 1308147289 BJJQIBKFJSTYGK-GFCCVEGCSA-N 307.314 -0.441 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@](F)(CO)C2)n1 1331572039 PJIOJYCRSTYPNT-SECBINFHSA-N 308.291 -0.577 5 10 DBBE O=[N+]([O-])c1cnn(CCN2CCS(=O)(=O)C[C@@H]2CCO)c1 1460812589 OBWUUGCQTPFROB-JTQLQIEISA-N 318.355 -0.727 5 10 DBBE CN(CCO)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] 1559278040 LPQQXOUUXGQEPT-UHFFFAOYSA-N 318.355 -0.422 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CCC(S(N)(=O)=O)CC1 1645141709 JGAPGOSQWOHPRB-UHFFFAOYSA-N 317.371 -0.147 5 10 DBBE O=C(O)CCS(=O)(=O)CCn1cc([N+](=O)[O-])ccc1=O 2145533484 XKZKVCITVCBGLV-UHFFFAOYSA-N 304.280 -0.354 5 10 DBBE C[C@@H](N=c1nc([N+](=O)[O-])[nH]n1C)[C@@H]1CCCS(=O)(=O)C1 2159179910 DSECZGUFWMCMDE-HTQZYQBOSA-N 303.344 -0.230 5 10 DBBE Cc1[nH]c(=N)[nH]c(=N[C@@H](C)[C@H](C)S(C)(=O)=O)c1[N+](=O)[O-] 2170592528 AAWWOHLXELSNGX-FSPLSTOPSA-N 303.344 -0.239 5 10 DBBE COc1ccc(S(=O)(=O)N[C@@H](CN)CO)c([N+](=O)[O-])c1 2182586481 UDBIDVAZOUTXTP-ZETCQYMHSA-N 305.312 -0.799 5 10 DBBE C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1N 110675091 IHPDNIPMILEPAQ-ZETCQYMHSA-N 314.323 -0.314 5 10 DBBE Nc1ccc(S(=O)(=O)NCCn2ccnn2)c([N+](=O)[O-])c1 128084803 LQYDJDDDUVJFTA-UHFFFAOYSA-N 312.311 -0.253 5 10 DBBE NC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCOCC1 599103244 QWEJVQXIQVADIH-UHFFFAOYSA-N 316.339 -0.224 5 10 DBBE Cc1nnc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])s1 599271764 LSVDKDUTFNCUIY-UHFFFAOYSA-N 318.340 -0.033 5 10 DBBE CNC(=O)CN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 611525853 XLTDBLDHJAXADF-UHFFFAOYSA-N 323.353 -0.463 5 10 DBBE COC[C@@H](OC)C(=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851329824 QICDPZYIQMJNCW-SSDOTTSWSA-N 319.295 -0.544 5 10 DBBE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[C@H](CO)[C@@H](O)C1 1138191113 VIOOOZMFSIXLBU-RITPCOANSA-N 304.690 -0.213 5 10 DBBE Cc1cc(=O)c(C(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c[nH]1 1355591640 FWJZAPVGJRYPEI-MWLCHTKSSA-N 322.321 -0.463 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1ncccn1 1355592428 UZOIYNRYTMPOFX-GHMZBOCLSA-N 321.337 -0.351 5 10 DBBE C[C@]1(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)NC(=O)NC1=O 1465433946 KLQOODCYLHNHHV-JRKPZEMJSA-N 310.310 -0.512 5 10 DBBE CN(Cc1nnc2n1CCNC2=O)c1ccc([N+](=O)[O-])nc1 1472877276 KEYPFXQJTKQBFJ-UHFFFAOYSA-N 303.282 -0.039 5 10 DBBE COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1C(=O)OC 1627731888 NPHCQHFCYMZJFF-LURQLKTLSA-N 300.267 -0.928 5 10 DBBE Cn1cc([C@@H](CO)NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cn1 1633107401 LKIFBVUQYMOMRG-SNVBAGLBSA-N 321.293 -0.660 5 10 DBBE CC(C)(C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1)n1cc([N+](=O)[O-])cn1 1641114134 DSMAQJKYSFKUII-DTORHVGOSA-N 321.293 -0.743 5 10 DBBE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cc([N+](=O)[O-])cs1 2121335101 XEEAOWMIUFUEPI-RNFRBKRXSA-N 306.321 -0.456 5 10 DBBE CN1C[C@H](O)[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 2146512362 BGIHNTASHKLNAC-MNOVXSKESA-N 301.324 -0.452 5 10 DBBE C[C@@]1(O)CON(S(=O)(=O)c2ccc([N+](=O)[O-])c(N)c2)C1 2149798032 YMOJFCCZKQEVHP-JTQLQIEISA-N 303.296 -0.136 5 10 DBBE O=[N+]([O-])c1c(N[C@@H]2CS(=O)(=O)C[C@@H]2O)nc2sccn12 2177811901 GKKRVHNVTBWUQO-RITPCOANSA-N 318.336 -0.126 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)O 2288539077 DVUJYTHXVGNOMB-LURJTMIESA-N 324.702 -0.203 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(CCO)[C@H](C)C1 188717070 XZUMWCUFNGHHKS-SNVBAGLBSA-N 311.342 -0.375 5 10 DBBE CO[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 209457205 UTDYZHLLCWSVLC-PSASIEDQSA-N 301.324 -0.140 5 10 DBBE C[C@H](Oc1c(F)cc([N+](=O)[O-])cc1S(N)(=O)=O)C(N)=O 215918385 FJSJVMFDRGPBHG-BYPYZUCNSA-N 307.259 -0.366 5 10 DBBE CCN(CC(=O)OC)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 339038854 DLNLOZUAEJEPOD-UHFFFAOYSA-N 320.327 -0.005 5 10 DBBE Cc1nc(N)nc(N(C)CCNS(C)(=O)=O)c1[N+](=O)[O-] 689779723 JTOXXSMZQRLERH-UHFFFAOYSA-N 304.332 -0.739 5 10 DBBE Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC(CN2CCOCC2)C1 854589657 SMAXUBFCQKOALR-UHFFFAOYSA-N 321.337 -0.024 5 10 DBBE CCN1CCN(C2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 1347915036 HCUJENAJVXDPKT-UHFFFAOYSA-N 308.342 -0.220 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1=CCOCC1 1584935984 ZZJAECUKLHQQCH-GHMZBOCLSA-N 309.322 -0.237 5 10 DBBE NC(=O)C12CCC(CC1)N2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 1620632620 WJUHFWOSQFIFPF-DMLGSKKGSA-N 309.326 -0.366 5 10 DBBE N[C@H]1COC[C@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1919732604 UJMUHMLBEDMHBR-NOWQDGDBSA-N 322.075 -0.914 5 10 DBBE CNS(=O)(=O)CCN(C)c1cc(NN)cc([N+](=O)[O-])c1 2151039989 ZQWOPKQCVRBZOC-UHFFFAOYSA-N 303.344 -0.134 5 10 DBBE N[C@H]1CC[S@](=O)(=NC(=O)CCn2cnc([N+](=O)[O-])c2)C1 2154388834 QGFHDWZGYDPBGF-FFVOIRBGSA-N 301.328 -0.093 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)C[C@]2(O)CNC[C@@H]2O)c1 2157170462 AWSBUQIIUPEUJS-WDEREUQCSA-N 302.308 -0.936 5 10 DBBE Nc1cc(N2CCC[C@@H](S(N)(=O)=O)C2)ncc1[N+](=O)[O-] 2165858244 LWFXWOJMPKWDSN-SSDOTTSWSA-N 301.328 -0.171 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1Nc1ccc([N+](=O)[O-])cc1N 2192675274 CXPNALLBTGCGNC-WDEREUQCSA-N 300.340 -0.026 5 10 DBBE O=Cc1cc(N2CC[C@@](O)(CO)[C@H](O)C2)c([N+](=O)[O-])s1 2234104434 IYMHUANGPPAVMY-MWLCHTKSSA-N 302.308 -0.237 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@H]2CCN(S(C)(=O)=O)C2)[nH]1 2238914899 ZVYOHBQHULIEFR-QMMMGPOBSA-N 303.344 -0.321 5 10 DBBE O=[N+]([O-])c1cc(CO)ccc1O[C@H]1CS(=O)(=O)C[C@H]1O 37693283 JZFCZLYPQUENDZ-KOLCDFICSA-N 303.292 -0.376 5 10 DBBE CN1CCN(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 105787551 VXSOIUMFKIOZDU-UHFFFAOYSA-N 316.339 -0.259 5 10 DBBE CN(C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1cnn(C)c1 172147732 LJJGEKOVNFCYKA-LBPRGKRZSA-N 321.341 -0.056 5 10 DBBE COc1c(O[C@@H](C)C(N)=O)cc([N+](=O)[O-])cc1S(N)(=O)=O 215860949 ZYCFRGWBDMUOKS-YFKPBYRVSA-N 319.295 -0.497 5 10 DBBE O=C1N[C@]2(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@H]3C[C@@H]1[C@H]2C3 593100941 MEJLUBBTBKGVOD-CYFJXOGMSA-N 319.321 -0.178 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[C@@]1(O)CCOC1 593811480 BBVFRWPTJPHVIP-CYBMUJFWSA-N 311.294 -0.586 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@H](CC(N)=O)C2)n1 599187308 QXLBLTXEJUAILZ-QMMMGPOBSA-N 324.293 -0.143 5 10 DBBE C[C@@H](O)[C@@H](O)CNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722282880 QZSNNKNBEKOLJX-LDWIPMOCSA-N 305.312 -0.803 5 10 DBBE Cc1nn(CN2CCN(CCN(C)C)C(=O)C2)cc1[N+](=O)[O-] 844720998 NXNKLUANRFLNQS-UHFFFAOYSA-N 310.358 -0.237 5 10 DBBE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 1321956787 RMISMDJEBHSYSK-HTQZYQBOSA-N 317.327 -0.780 5 10 DBBE C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 1331340150 NTIVMRQHHLTCJD-JGVFFNPUSA-N 304.328 -0.280 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@H]1O 1331554234 FQZMRFFCMCKYIJ-IONNQARKSA-N 304.328 -0.280 5 10 DBBE COCC(=O)NC[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1 1488802038 LFOWNIBYYHKAJN-MGCOHNPYSA-N 311.342 -0.041 5 10 DBBE O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)c1ccc([N+](=O)[O-])o1 1558063090 OWWWSMSGPANOCO-QLSQZMLOSA-N 319.229 -0.229 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3N)C[C@@H]2C1=O 1635812385 BAIBYZFZFZDHAM-AOOOYVTPSA-N 318.289 -0.136 5 10 DBBE C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)CN1CCO 1638333476 FVTOZEICAZJCGJ-VHSXEESVSA-N 311.342 -0.145 5 10 DBBE O=C(COCC(F)F)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1738061495 URKQXXNVKZVJPY-RKDXNWHRSA-N 321.280 -0.492 5 10 DBBE O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)C2CS(=O)(=O)C2)c1 1917940857 AHQLPQXZDBJVLH-UHFFFAOYSA-N 322.320 -0.161 5 10 DBBE CS(=O)(=O)c1ccc(OCCNCCN)c([N+](=O)[O-])c1 1923454997 HHGYYDPLAHYFQY-UHFFFAOYSA-N 303.340 -0.075 5 10 DBBE Nc1ncnc(N2CC[C@H](CS(N)(=O)=O)C2)c1[N+](=O)[O-] 2144386377 FNOMSUWLIZGQFT-LURJTMIESA-N 302.316 -0.918 5 10 DBBE CS(=O)(=O)[C@@H]1CNC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 2192676881 LTYPVNFENNIWBU-JGVFFNPUSA-N 302.312 -0.962 5 10 DBBE CC(=O)N[C@@H](Cn1cc(Cl)cc([N+](=O)[O-])c1=O)C(=O)O 2206215422 MXDZCIPIAJOSSP-ZETCQYMHSA-N 303.658 -0.001 5 10 DBBE CS(=O)(=O)NCCNC(=O)c1cc(N)c(F)cc1[N+](=O)[O-] 50703153 PWKZJWNBHINJBX-UHFFFAOYSA-N 320.302 -0.405 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 136167903 YDINPPSSNYERAW-ZCFIWIBFSA-N 317.327 -0.577 5 10 DBBE NNc1ncc([N+](=O)[O-])c(NC[C@H]2CCS(=O)(=O)C2)n1 236287596 ZHDXFLFPCLRFMH-ZCFIWIBFSA-N 302.316 -0.483 5 10 DBBE O=C(NC(CO)(CO)CO)c1cccc([N+](=O)[O-])c1Cl 236492377 JSCYTRDTSFTXNB-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 595661081 DEZHVXYOOXKQRC-GARJFASQSA-N 314.298 -0.928 5 10 DBBE NCC1(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])COC1 705642274 OAFVVXHHSDERBR-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE O=C(O)[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 725372886 BEFZTAOWVRUDBK-SFYZADRCSA-N 315.307 -0.454 5 10 DBBE NC(=O)CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1=O 840335916 DFSGHUAUIHUAGC-UHFFFAOYSA-N 318.293 -0.624 5 10 DBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nn1cnnc1 1137842422 RHBJXHZEPCZHFS-UHFFFAOYSA-N 318.249 -0.318 5 10 DBBE C[C@H](O)[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 1331349511 GHAGOTFIULAETR-IONNQARKSA-N 320.327 -0.901 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CO)c2nncn2C)n1 1453821894 DXCGIHIDTAQFJH-SNVBAGLBSA-N 306.282 -0.110 5 10 DBBE Cc1cnc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1689054180 DAPGFRGDCBICIC-ZYHUDNBSSA-N 321.337 -0.019 5 10 DBBE CN(CCNC(=O)Cn1ncnn1)c1cccc(F)c1[N+](=O)[O-] 1690131883 UHTQUHZYEYRBDE-UHFFFAOYSA-N 323.288 -0.027 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N[C@H]1CS(=O)(=O)C[C@@H]1O 2121465740 JPHFJLNDSRQOGM-WHFBIAKZSA-N 308.703 -0.392 5 10 DBBE C[C@H](CCS(C)(=O)=O)Nc1ncnc(NN)c1[N+](=O)[O-] 2160749168 JCNCPLJXMTVVKF-ZCFIWIBFSA-N 304.332 -0.095 5 10 DBBE CCN=c1ccc(S(=O)(=O)N2CC([N+](=O)[O-])C2)c(C)[nH]1 2191516742 LPWUZVIQKARTRL-UHFFFAOYSA-N 300.340 -0.107 5 10 DBBE O=C(NCCS(=O)(=O)CCO)c1ccc([N+](=O)[O-])cn1 2360984932 GZFTVQBAWBNFHT-UHFFFAOYSA-N 303.296 -0.873 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNCC2(O)CCOCC2)c1 162629771 JNCTXAMKYRQWOW-LLVKDONJSA-N 300.315 -0.717 5 10 DBBE CCS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cn1 532143908 PFDCMJLNUBFDHK-UHFFFAOYSA-N 302.312 -0.341 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H](O)C23CCC3)n1 599347048 QUQCUWNIRXVDTP-DTWKUNHWSA-N 316.339 -0.090 5 10 DBBE COC[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1134212764 BLORNACOGRWUPD-LLVKDONJSA-N 311.294 -0.370 5 10 DBBE CNc1nccc(C(=O)N2C[C@@H](O)C[C@]2(C)CO)c1[N+](=O)[O-] 1301122297 QBQLSACUROHTCB-ISVAXAHUSA-N 310.310 -0.011 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N(CCCO)Cc1ccccn1 1326863023 IYQNBCUIYPYZES-UHFFFAOYSA-N 320.309 -0.008 5 10 DBBE NC(=O)[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 1464562226 VRABFEPYFLMDCL-GHMZBOCLSA-N 309.278 -0.659 5 10 DBBE CC(=O)c1cn(C2CN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)nn1 1558742925 KTUJQPISUBHCML-UHFFFAOYSA-N 305.254 -0.191 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1Cc2cncn2C1 1637157877 FIPDIIWUMFXULG-VIFPVBQESA-N 303.278 -0.306 5 10 DBBE CCOCCNCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1724974654 DXNYFOFHITXYAK-VXGBXAGGSA-N 315.370 -0.369 5 10 DBBE Cn1c(C(=O)NCC(=O)NCc2ccco2)cnc1[N+](=O)[O-] 1891156572 SHGLUKWDVLXWFH-UHFFFAOYSA-N 307.266 -0.033 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(N2CC(CS(C)(=O)=O)C2)[nH]1 2159452925 HKLSYOLWFRLPDE-UHFFFAOYSA-N 300.340 -0.066 5 10 DBBE O=C(O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)c1csc([N+](=O)[O-])c1 2200851943 OABZKGXXMZJROW-MHSYXAOVSA-N 302.264 -0.713 5 10 DBBE Nc1cc(NC[C@@H]2NC[C@H](O)[C@@H]2O)c(Cl)cc1[N+](=O)[O-] 2234248028 FTMJOKITJZMOLV-INTQDDNPSA-N 302.718 -0.064 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](O)C1 61712731 KXNPOCOSUBBGCD-QMMMGPOBSA-N 302.312 -0.364 5 10 DBBE CC(C)C[C@H](NC(N)=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 122441452 RNOASNWIGODVII-JTQLQIEISA-N 312.330 -0.010 5 10 DBBE C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CCCCC1=O 357003721 RASKEKYBNZCRIL-VIFPVBQESA-N 310.314 -0.297 5 10 DBBE CN(C)C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 581626979 OMVICFZXIGYANF-UHFFFAOYSA-N 322.325 -0.108 5 10 DBBE Cn1cnnc1N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 594604175 SLOMGWHFILXYFR-UHFFFAOYSA-N 305.302 -0.578 5 10 DBBE Cc1nn(CCC(=O)N2C[C@@H](O)C[C@@H](O)C2)c(C)c1[N+](=O)[O-] 610669237 NJMGVUNEMJQLSE-PHIMTYICSA-N 312.326 -0.248 5 10 DBBE C[C@@H](O)[C@@H](O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 717402084 ORWMQSIRMDPBBJ-KCJUWKMLSA-N 304.324 -0.244 5 10 DBBE NNc1ncc([N+](=O)[O-])c(N2CCS[C@@H](CCO)C2)n1 719980535 YEYZMPDKALYFNA-ZETCQYMHSA-N 300.344 -0.025 5 10 DBBE CCO[C@@H](C)C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1118912607 CMEPAHSJSGBCID-LURJTMIESA-N 306.300 -0.442 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCC2(CS(C)(=O)=O)CC2)n1 1319784180 MITCVJCDHCMIIS-UHFFFAOYSA-N 316.339 -0.117 5 10 DBBE CN1CCOC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1330133126 RZJLOVPBMDXDCD-SNVBAGLBSA-N 310.310 -0.797 5 10 DBBE COC/C(C)=C\C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1331540555 HNZNMMBNANYWIU-DAXSKMNVSA-N 318.311 -0.274 5 10 DBBE CC(C)NC(=O)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1544135080 VRMSGDMJOMJJCR-UHFFFAOYSA-N 310.310 -0.213 5 10 DBBE Cc1nn(C)c(C(=O)NC[C@H](O)c2cnn(C)c2)c1[N+](=O)[O-] 1610971564 MBHYSXJTOWZASI-VIFPVBQESA-N 308.298 -0.166 5 10 DBBE CN1C(=O)CS/C1=C\C(=O)NCCn1cc([N+](=O)[O-])cn1 1622415017 YRLNCCDZNNLAGF-WCIBSUBMSA-N 311.323 -0.046 5 10 DBBE O=C(CO)NCCC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F 1631094438 QDINGWHDINIVEB-UHFFFAOYSA-N 317.248 -0.012 5 10 DBBE CN=c1[nH]cc([N+](=O)[O-])c(=N[C@@H](C)[C@@H](C)S(C)(=O)=O)[nH]1 2170593847 JQYDLAPVQBIRHA-NKWVEPMBSA-N 303.344 -0.496 5 10 DBBE Nc1cccc(S(=O)(=O)N2CC(F)(CO)C2)c1[N+](=O)[O-] 2172925481 YOVGIBWZOKHCDW-UHFFFAOYSA-N 305.287 -0.118 5 10 DBBE CS(=O)(=O)[C@@H]1CCN(c2nc(NN)ncc2[N+](=O)[O-])C1 2179895442 VUIYRJNYMBWAHR-ZCFIWIBFSA-N 302.316 -0.706 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1cc([N+](=O)[O-])cc(F)n1 2192657063 MRSMJGKCLAXNOM-YUMQZZPRSA-N 304.303 -0.074 5 10 DBBE Nc1ccc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c1Cl 2201053813 KRFGWFMNWCQNFV-LAEOZQHASA-N 303.702 -0.267 5 10 DBBE O=[N+]([O-])c1ccc(S[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2046911 IXFOBQXJWRLXMD-SVNGYHJRSA-N 317.319 -0.513 5 10 DBBE C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1CCO 187270849 DLFBTQXKJNFVIJ-NSHDSACASA-N 311.342 -0.294 5 10 DBBE C[C@@H](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[S@](C)=O 599261676 WWHPDQRYDAADGK-IIYDVTGLSA-N 324.384 -0.236 5 10 DBBE CN1C[C@H]2CN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])C[C@H]2C1 599291461 NCAGKFZQRTUFEJ-DTORHVGOSA-N 315.355 -0.490 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@]2(O)CCSC2)c1 702232485 KHUQCGSGTQYWNI-GHMZBOCLSA-N 302.356 -0.390 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)[C@H](C)O 717400348 CMXZRRUSFJXPAV-WPRPVWTQSA-N 304.324 -0.077 5 10 DBBE C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])N1CCN(C)CC1 1116432498 GZIHNFUYTPPHHF-JTQLQIEISA-N 310.358 -0.306 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NCC(=O)N2CCOCC2)n1 1152824454 NINIURTYPHZUOK-UHFFFAOYSA-N 308.294 -0.113 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 1588102395 XHVGORQWQTZWLF-UHFFFAOYSA-N 310.262 -0.037 5 10 DBBE Cc1nc(N2CCO[C@H](CS(C)(=O)=O)C2)ncc1[N+](=O)[O-] 1612994317 SAOLNLHNVCHYIX-VIFPVBQESA-N 316.339 -0.057 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccncn1 1721851650 HFKPPTGXXQPVOF-UESFQREOSA-N 305.294 -0.456 5 10 DBBE CCN(CC)C(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1733305925 XIKWMVMSRBGYEF-VXGBXAGGSA-N 312.370 -0.337 5 10 DBBE Cc1c(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nnn1C 1738476492 UDHPDTNYUAQQFU-HIHHVFROSA-N 322.325 -0.809 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1CCOC[C@H]1[C@H](O)CO 2146325156 CUUYZCYKWJHPLD-DTWKUNHWSA-N 302.308 -0.150 5 10 DBBE NNc1ccc(S(=O)(=O)N2CC[C@@H]2CO)cc1[N+](=O)[O-] 2148959516 ZFJOUVWHDJUGMF-SSDOTTSWSA-N 302.312 -0.364 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(O)(CO)C2)cc1F 2171959713 LSNAIVQPRJZSRN-UHFFFAOYSA-N 306.271 -0.538 5 10 DBBE O=CN[C@H](C[S@@](=O)Cc1ccc([N+](=O)[O-])cn1)C(=O)O 2195278588 JKIHYRNJJXZFDH-YBYGRFCBSA-N 301.280 -0.562 5 10 DBBE COC(=O)CN(C)S(=O)(=O)Nc1ccc([N+](=O)[O-])cn1 2202434668 UXPFTKLXAASHQG-UHFFFAOYSA-N 304.284 -0.249 5 10 DBBE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1nc(Cl)ncc1[N+](=O)[O-] 2234069547 RWXQONSQBJIVLN-GJMOJQLCSA-N 304.690 -0.405 5 10 DBBE O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@](O)(CO)[C@@H](O)C1 2234107167 PPOIXYIYVSQNMM-GXSJLCMTSA-N 303.702 -0.062 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(O)(CCO)C2)cc1 2286172759 PFTUICJVEWQJKP-UHFFFAOYSA-N 302.308 -0.287 5 10 DBBE NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 37326327 PWBSFSIJKVTWNF-QMMMGPOBSA-N 315.307 -0.061 5 10 DBBE C[C@@]1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS(=O)(=O)C1 44929820 ACBVRNABBKJEBS-WDEREUQCSA-N 318.355 -0.681 5 10 DBBE O=C(O)CC[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)O 50469712 XQUYMFSAXZMJET-ZCFIWIBFSA-N 300.227 -0.775 5 10 DBBE Nc1ccc(S(=O)(=O)NC[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] 79937913 NTTDCZYFWDBTPI-SSDOTTSWSA-N 314.323 -0.266 5 10 DBBE COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)N(CCN)C(C)=O 170357661 OCKPEVBSNUIZFR-UHFFFAOYSA-N 324.293 -0.124 5 10 DBBE CC(C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@H]12)[C@@H](C)O 248144676 DNAWGBOKUFFVMB-BEYOIGNWSA-N 315.366 -0.315 5 10 DBBE CO[C@H]1C[C@H](C(=O)O)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 262200160 VWHNYNNPMWSZEF-DTWKUNHWSA-N 312.282 -0.200 5 10 DBBE N[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O 323571145 KHANHEBBZCUWGQ-ZETCQYMHSA-N 323.714 -0.062 5 10 DBBE NC(=O)CN1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 372892633 RKRPEPSVQMAPAM-UHFFFAOYSA-N 319.325 -0.365 5 10 DBBE CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cn1 531887835 OIGCAHFOTWFQHR-LBPRGKRZSA-N 324.337 -0.245 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCNCC3)C2)n1 569720748 IMYQRLFOLSNBDF-NSHDSACASA-N 322.369 -0.069 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](Nc2ncccn2)C1 577179270 UAVSUHRTISEAMU-VIFPVBQESA-N 318.297 -0.311 5 10 DBBE NC(=O)[C@@H](O)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F 597585215 IGLWVBHKKCCXSR-VIFPVBQESA-N 303.221 -0.622 5 10 DBBE CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 809838129 QJXQKYGSTMFVCP-RXMQYKEDSA-N 309.325 -0.959 5 10 DBBE CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(N)=O)C(=O)C1 840335955 DMDUVFPBPXTLFS-UHFFFAOYSA-N 320.305 -0.069 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN2CCOC[C@H]2C1 1323828517 CCRSLDQZUALXFT-LLVKDONJSA-N 322.321 -0.701 5 10 DBBE C[C@H]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CS1(=O)=O 1328811901 QIIPGXAXULVCEQ-JGVFFNPUSA-N 317.327 -0.732 5 10 DBBE CN(C)C[C@]1(O)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1471374775 VNQCWYDHNVVHKH-CQSZACIVSA-N 324.337 -0.719 5 10 DBBE Cn1cnnc1CNCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 1567998605 RPCMQAHBADAHNB-GHMZBOCLSA-N 322.369 -0.001 5 10 DBBE COC(=O)[C@@](C)(CO)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1629648965 DRNWVRMEAACNKQ-ZWNOBZJWSA-N 312.278 -0.332 5 10 DBBE O=C(CCc1cnc[nH]1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1747214634 JVWIRWMNXJUROI-NUYITTKVSA-N 321.337 -0.204 5 10 DBBE CCS(=O)(=O)[C@H]1CCN(c2ncc([N+](=O)[O-])c(=N)[nH]2)C1 2179901468 HEJUKCKVZCHCDK-ZETCQYMHSA-N 301.328 -0.189 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@H]2O)n1 2186550812 BTLHJVVCQJMDBH-WULHADROSA-N 302.227 -0.206 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@]1(CO)C[C@H](O)C1 2197289783 GBYNTKMPPFGRCM-DKTWLAJQSA-N 302.308 -0.241 5 10 DBBE O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@](O)(CO)[C@@H](O)C1 2234105025 KUNFLPQWEAGCPL-KWQFWETISA-N 302.308 -0.414 5 10 DBBE C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1)C(N)=O 157466189 AMDBLHBTLHPWBX-VKHMYHEASA-N 309.329 -0.906 5 10 DBBE Cc1ccc(S(=O)(=O)NCC2(O)CNC2)cc1[N+](=O)[O-] 312245133 SBFAYRZZGMPZTE-UHFFFAOYSA-N 301.324 -0.484 5 10 DBBE Cn1c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] 342374912 OBCHWOMLIOCRNO-MRVPVSSYSA-N 316.339 -0.303 5 10 DBBE Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC(N)=O)C(=O)C2)n1 413425672 SRNXXLSETXNCEW-UHFFFAOYSA-N 307.310 -0.259 5 10 DBBE C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 535031584 YRVBHGZXLDQEOX-SECBINFHSA-N 308.294 -0.345 5 10 DBBE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 596437952 YOIKEARGJMFXDB-FSPLSTOPSA-N 303.300 -0.809 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@@H]1COCCO1 690765678 MBANWOANXBQMGI-SSDOTTSWSA-N 306.300 -0.837 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F 1261495163 ULHRLYZSAZIWPE-JTQLQIEISA-N 316.264 -0.130 5 10 DBBE C[C@H](O)[C@@H](O)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 1301669687 FHYFZPSZMIIEIS-KWQFWETISA-N 312.278 -0.356 5 10 DBBE Cn1nccc1C1(O)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1302953092 QCJYGOOIMFXGCT-UHFFFAOYSA-N 306.282 -0.745 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H](N2CCCC2=O)C1 1318403689 OGPPORUHXQOFTP-SNVBAGLBSA-N 322.325 -0.200 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCOC3=O)C2)n1 1329382652 GOCMWZZXTZKOOD-QMMMGPOBSA-N 309.282 -0.005 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 1565534842 ZRDULDSITSDCQB-BNDIWNMDSA-N 314.294 -0.885 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](O)[C@H](CO)C1 1642949056 ZQXYBWLWGRJVON-CYZMBNFOSA-N 310.306 -0.170 5 10 DBBE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc2n(n1)CCO2 1721079134 IKKFMKQQXGEEHX-PSASIEDQSA-N 323.309 -0.871 5 10 DBBE N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)O)C(O)O 1865959999 CLVKHEFHNOHKDI-QMMMGPOBSA-N 313.266 -0.350 5 10 DBBE O=C(NCC(O)(CO)CO)c1cc(Cl)cc([N+](=O)[O-])c1 1913800510 JXPIOGCFRMDMPO-UHFFFAOYSA-N 304.686 -0.306 5 10 DBBE N[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 2149985805 DGNPTCQILQJXQV-IUCAKERBSA-N 305.287 -0.262 5 10 DBBE NC[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 2153168567 QVEPNPYGVDDXDC-JTQLQIEISA-N 301.324 -0.057 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(=O)O 2176839287 CIWWVBSCGZILCO-IMTBSYHQSA-N 304.280 -0.293 5 10 DBBE O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1NC[C@H](O)[C@@H]1O 2201151044 XCAPXJXOIHPWPA-AEJSXWLSSA-N 301.686 -0.120 5 10 DBBE N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cn1)C1CS(=O)(=O)C1 2202456771 MDOVSOCVXKAVPA-SECBINFHSA-N 300.296 -0.700 5 10 DBBE CC(=O)N[C@H](Cn1ccc(Cl)c([N+](=O)[O-])c1=O)C(=O)O 2207099204 AHHHLTDVYJNZOR-SSDOTTSWSA-N 303.658 -0.001 5 10 DBBE Cn1nnc(=NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)[nH]1 2232782920 BSEDYMAEXUTOPS-UHFFFAOYSA-N 302.247 -0.520 5 10 DBBE CNC(=O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50674399 TXZOHVKFSFTONO-LURJTMIESA-N 302.312 -0.410 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)CCS(N)(=O)=O 70214176 JXYCSUILVSALTG-UHFFFAOYSA-N 308.337 -0.035 5 10 DBBE NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC1 215824709 ICCFITYUGUYGOR-UHFFFAOYSA-N 315.307 -0.100 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCCNC2=O)n1 599213849 QUXJATFCYAPBJG-SSDOTTSWSA-N 317.327 -0.725 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)[C@@H](O)CO 698917323 DWJJSAVUUNPSGF-SCZZXKLOSA-N 304.324 -0.077 5 10 DBBE CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 1124463614 HECXGCDCACYEJM-ZETCQYMHSA-N 302.312 -0.413 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](O)Cn2ccnn2)n1 1141931078 RTEYUVDREMTISG-JTQLQIEISA-N 306.282 -0.319 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)OC[C@H]1CC(=O)N(C2CC2)C1 1263377855 NQKRWOHYVBHLOV-QMMMGPOBSA-N 309.282 -0.260 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC(=O)NC1=O 1319534399 KSUPXRCBGFLCMI-QMMMGPOBSA-N 309.282 -0.589 5 10 DBBE CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 1324841855 OKIDNXRNQQSUPW-MRVPVSSYSA-N 316.339 -0.023 5 10 DBBE O=C(NCCn1cc([N+](=O)[O-])cn1)C1(N2CCOCC2)CC1 1465879391 VUAXRLPTRBBCFG-UHFFFAOYSA-N 309.326 -0.228 5 10 DBBE O=C(N[C@@H]1CCS(=O)(=O)C1)c1[nH]nc([N+](=O)[O-])c1Cl 1543015638 SCHFREQECJSJHN-SCSAIBSYSA-N 308.703 -0.112 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(Cc2cn[nH]c2)CC1 1557094758 JQUFOIHPEHKHPA-UHFFFAOYSA-N 319.325 -0.141 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1618165396 JREFOECMIMUDMB-MRVPVSSYSA-N 316.339 -0.316 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC[C@]12COCCN1C(=O)COC2 1652138810 LMFOLMLNYYBJHH-GFCCVEGCSA-N 311.298 -0.632 5 10 DBBE CN(CCCNC(=O)c1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1720454481 NRVDTKQTLFCGAC-MWLCHTKSSA-N 309.326 -0.336 5 10 DBBE NC1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)COC1 2151411441 POXXMXCIHKVMSP-UHFFFAOYSA-N 301.324 -0.258 5 10 DBBE C[C@H](O)[C@H](CO)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 2174123531 MIHLWPPBWUKAIN-WPRPVWTQSA-N 304.324 -0.244 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1[nH]c(=N)ccc1[N+](=O)[O-] 2192658225 LOOOFYXNQSACCA-XPUUQOCRSA-N 301.328 -0.801 5 10 DBBE CS(=O)(=O)N[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 54470024 ICVQYCPAXYZTLQ-SECBINFHSA-N 303.344 -0.238 5 10 DBBE O=C(O)[C@@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 95073805 LQDDQAPKZLWLLP-QMMMGPOBSA-N 316.295 -0.963 5 10 DBBE CC(CO)(CO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 126241202 XFJNLFGICZUMHC-UHFFFAOYSA-N 306.296 -0.678 5 10 DBBE Nc1c(C(=O)NCCCS(N)(=O)=O)cccc1[N+](=O)[O-] 157318717 JPZNFLOXXKQNFT-UHFFFAOYSA-N 302.312 -0.415 5 10 DBBE NC(=O)CONS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 169177069 QPXOZJQNWZXDHJ-UHFFFAOYSA-N 309.687 -0.057 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCNC(=O)C2)n1 427704059 HLVWCWGEAWFBOV-UHFFFAOYSA-N 324.341 -0.637 5 10 DBBE Cc1nn(C)c(N2CCC[C@@]3(C2)NC(=O)NC3=O)c1[N+](=O)[O-] 432929118 PQLNSXZJRMMDCP-LBPRGKRZSA-N 308.298 -0.185 5 10 DBBE CNc1nccc(C(=O)NCC[C@@]2(O)CCOC2)c1[N+](=O)[O-] 594375837 JAPJIKRXGYUFBP-CYBMUJFWSA-N 310.310 0.303 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NC1COCCOC1 594775832 JQFZYRULNYWOSP-UHFFFAOYSA-N 303.296 -0.317 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)n1 599224319 YKSQMXAVKDRWBB-QMMMGPOBSA-N 315.355 -0.157 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)C1CCCC1 754746299 RMEJHLSHTPDYJU-UHFFFAOYSA-N 303.300 -0.425 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](O)C(F)(F)F)n1 859003034 LTHAJWIRBZLFAK-YFKPBYRVSA-N 318.233 -0.470 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC1(CO)CCSCC1 1142036547 AOIZGNWZFNFIOF-UHFFFAOYSA-N 301.328 -0.439 5 10 DBBE Cc1nn(C)c(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] 1256232701 CDXQCUXEDXHDFM-ZDUSSCGKSA-N 307.310 -0.011 5 10 DBBE O=C(NC[C@@H](O)CO)c1ccc2c(c1[N+](=O)[O-])OCCCO2 1304472900 VZPKLABPYYBMGW-MRVPVSSYSA-N 312.278 -0.161 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1 1329660189 VCGFQIFMZKPPOH-ZETCQYMHSA-N 320.313 -0.153 5 10 DBBE C[C@@]12CN(CCn3ccc([N+](=O)[O-])n3)C[C@@]1(C)C(=O)NC2=O 1620487957 KSZFXNDAZGJSIF-STQMWFEESA-N 307.310 -0.224 5 10 DBBE CN1C[C@H](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 1634990833 WUHSTHYQYAWQKU-SNVBAGLBSA-N 322.321 -0.259 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](CCO)[C@@H](CO)C1 1653839419 BLHFJYADHVTQIV-GHMZBOCLSA-N 312.326 -0.451 5 10 DBBE CN(CCNC(=O)c1cn[nH]c1)Cc1c([N+](=O)[O-])ncn1C 1713447182 WANNWYBBWIHDIU-UHFFFAOYSA-N 307.314 -0.087 5 10 DBBE C[C@@]1(NS(=O)(=O)c2cncc([N+](=O)[O-])c2)CCNC1=O 1965770488 KTDPPGPRKAFHDJ-SNVBAGLBSA-N 300.296 -0.453 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1COC[C@@H]1O 2154109616 TUAJCJDLXDHNNC-WPRPVWTQSA-N 302.308 -0.120 5 10 DBBE C[C@@H](CCS(C)(=O)=O)Nc1ncnc(NN)c1[N+](=O)[O-] 2160749167 JCNCPLJXMTVVKF-LURJTMIESA-N 304.332 -0.095 5 10 DBBE CNC(=O)[C@@H]1CNCCN1c1ncnc(Cl)c1[N+](=O)[O-] 2162816033 AOCISKGUYXEOMK-LURJTMIESA-N 300.706 -0.438 5 10 DBBE CS(=O)(=O)C[C@H](N)C(=O)Nc1ncc([N+](=O)[O-])cc1Cl 2360531336 NVXYSVUGDFISNW-ZETCQYMHSA-N 322.730 -0.046 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O 21819116 CYDQGJHPAGQUAK-GMSGAONNSA-N 318.307 -0.152 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(CO)CO 126274174 IMGHJIIFFSQBGV-UHFFFAOYSA-N 304.324 -0.075 5 10 DBBE NNc1cc(S(=O)(=O)NCCOC(N)=O)ccc1[N+](=O)[O-] 135247048 XGVULLYZFIFWCA-UHFFFAOYSA-N 319.299 -0.746 5 10 DBBE C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 136167818 HMJOWELAHODGBA-ZCFIWIBFSA-N 317.327 -0.577 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCOC[C@@H]2CO)cc1[N+](=O)[O-] 157461589 IEJOCPBCYACLJS-QMMMGPOBSA-N 317.323 -0.441 5 10 DBBE NC(=O)CN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 168629650 IJNPLJQKWWQXCR-UHFFFAOYSA-N 314.685 -0.339 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@]2(O)CCOC2)cn1 227189975 UQIPPSSFBLDKNZ-JTQLQIEISA-N 303.296 -0.581 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCO[C@@]3(CCOC3)C2)c1 249046086 VWXJFCTXQPXBDL-STQMWFEESA-N 312.326 -0.357 5 10 DBBE NS(=O)(=O)c1cc(NCCn2ccnn2)cc([N+](=O)[O-])c1 302165746 KUIFXPMXNHGDPH-UHFFFAOYSA-N 312.311 -0.054 5 10 DBBE Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C[C@@H](O)CN 313202728 OJAVJQKETKBOHT-VIFPVBQESA-N 303.340 -0.157 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CNC[C@H]2O)c1 702791874 TVJCHGLLSVMXFO-GZMMTYOYSA-N 301.324 -0.547 5 10 DBBE O=C(Cc1cnoc1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941011780 OZDYYLNGNOZZMK-VXGBXAGGSA-N 322.321 -0.057 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1155977032 DUNGNBVQBCOXAK-YHPBZONMSA-N 312.326 -0.038 5 10 DBBE Cc1nn(CCC(=O)N[C@H]2C[C@H](O)[C@H](O)C2)c(C)c1[N+](=O)[O-] 1303821733 CGXQHSKCIYUXCA-RTCCRHLQSA-N 312.326 -0.201 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] 1454853899 AVNKOWMJHSOLQE-GMSGAONNSA-N 312.282 -0.364 5 10 DBBE COCC(=O)N(C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1497951559 MPTWIYHUSFIACG-VXGBXAGGSA-N 313.354 -0.005 5 10 DBBE O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](O)C1 1644231221 QLDGBHQDHHXIED-GWNIPJSYSA-N 310.306 -0.124 5 10 DBBE CN(C)c1cc(F)c(C(=O)NC[C@@H](O)CO)cc1[N+](=O)[O-] 1653203427 ULNJAHZUJBKGTF-SSDOTTSWSA-N 301.274 -0.117 5 10 DBBE O=C(CN1CC[C@@H](O)[C@@H](O)C1)N1CCc2cc([N+](=O)[O-])ccc21 1659811566 ONAJZCRWYXRBRZ-KGLIPLIRSA-N 321.333 -0.089 5 10 DBBE O=C(NCC1CN(C(=O)COCC2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1688660769 FYKXNOUBCNQDLT-VXGBXAGGSA-N 311.338 -0.347 5 10 DBBE Cc1nn[nH]c1C(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758420461 NBOHORWZQLXVDE-RKDXNWHRSA-N 310.314 -0.643 5 10 DBBE Cn1c(C(=O)NC[C@H]2CCS(=O)(=O)C2)cnc1[N+](=O)[O-] 1890683742 ORKVAWRUUWJASR-SSDOTTSWSA-N 302.312 -0.507 5 10 DBBE C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1(O)CNC1 1918664753 AFSHMHPOBKBUHG-MRVPVSSYSA-N 301.324 -0.404 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC[C@H](O)CO 1963622156 WQFVXJNPNRMUIH-JTQLQIEISA-N 304.324 -0.243 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC([C@@H](F)CO)C2)c1 2166893589 CNROSDRXQPOHKI-JTQLQIEISA-N 305.287 -0.059 5 10 DBBE O=C1C[C@H](NS(=O)(=O)c2cncc([N+](=O)[O-])c2)CCN1 2186331866 IWVTYGHPCAJJEX-SSDOTTSWSA-N 300.296 -0.453 5 10 DBBE Cn1cc([N+](=O)[O-])c(C[S@](=O)C(C)(C)[C@@H](N)C(=O)O)n1 2195279870 XTNAUCONJHINOP-FHZGZLOMSA-N 304.328 -0.233 5 10 DBBE C[C@H]1CN(S(=O)(=O)N=c2cc[nH]cc2[N+](=O)[O-])CCN1 2202432620 TVOKIBJYCMKPLA-QMMMGPOBSA-N 301.328 -0.638 5 10 DBBE Cc1c([N+](=O)[O-])ccnc1COC1(CN)CS(=O)(=O)C1 2283073447 CXIDKVDBFVIFFV-UHFFFAOYSA-N 301.324 -0.059 5 10 DBBE CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N)CC1=O 84207757 DNBBTMIWBHXPDN-UHFFFAOYSA-N 314.323 -0.360 5 10 DBBE Nc1ccc(S(=O)(=O)N2CCO[C@@H](CO)C2)c([N+](=O)[O-])c1 167876852 WUAQQVYADWVPLN-SECBINFHSA-N 317.323 -0.441 5 10 DBBE COC(=O)[C@H]1C[C@H](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 359082674 FTWLEPDSHZTZDQ-RKDXNWHRSA-N 311.298 -0.014 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2C(=O)OC)n1 427393577 APQNBTOUMWCXLO-VIFPVBQESA-N 312.282 -0.175 5 10 DBBE CCC[C@]1(C)C(=O)NCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 438626892 LBBUPEXGWNZXQX-GFCCVEGCSA-N 310.314 -0.297 5 10 DBBE Cc1c(CNC(=O)C(=O)N[C@H]2CCNC2=O)cccc1[N+](=O)[O-] 597299555 FUTFAIQLNWJCRY-JTQLQIEISA-N 320.305 -0.476 5 10 DBBE CC(C)NC(=O)[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 598438454 WVEXDJVYQMVBHF-JTQLQIEISA-N 324.341 -0.051 5 10 DBBE N[C@H]1CCOC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 721846601 RFMNUNVMVIMCNK-WDEREUQCSA-N 301.324 -0.011 5 10 DBBE O=C(NCc1nnc2n1CCNC2=O)c1csc([N+](=O)[O-])c1 1132954636 ARHFFIGVGJWVSF-UHFFFAOYSA-N 322.306 -0.079 5 10 DBBE CONC(=O)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 1134634244 AYAHYZJEXJOHPT-UHFFFAOYSA-N 301.230 -0.094 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1178281360 NCWFOXNVZJCPSC-JGPRNRPPSA-N 312.326 -0.120 5 10 DBBE CCOCCOC[C@H](O)CNC(=O)c1nn(C)cc1[N+](=O)[O-] 1343575631 HLEAKDNVIYHUED-SECBINFHSA-N 316.314 -0.528 5 10 DBBE O=C(NCCN1C(=O)CCC1=O)c1[nH]nc([N+](=O)[O-])c1Cl 1628117022 ZMFJFLSDHLOBQF-UHFFFAOYSA-N 315.673 -0.150 5 10 DBBE CN(CCN(C)C(=O)c1nc[nH]n1)Cc1c([N+](=O)[O-])ncn1C 1715534560 LMDHTVIWRIFYJF-UHFFFAOYSA-N 322.329 -0.350 5 10 DBBE CN(c1ncc([N+](=O)[O-])c(=N)[nH]1)C1CCS(=O)(=O)CC1 1963328952 XFHSYDUWWZNHCE-UHFFFAOYSA-N 301.328 -0.189 5 10 DBBE N[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2149988362 NQQNDUNUTKXSGV-BDAKNGLRSA-N 305.287 -0.262 5 10 DBBE C[S@](=O)(=NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCNC1 2159071250 ROGRRRRAVLBABS-ZPWHCFADSA-N 301.328 -0.222 5 10 DBBE NS(=O)(=O)c1ccc(N[C@H](CO)C(=O)O)c([N+](=O)[O-])c1 2175205611 IXWMXBXPWZNJJA-SSDOTTSWSA-N 305.268 -0.900 5 10 DBBE CO[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1N 2179201762 KHKBXJFKVDJPED-WDEREUQCSA-N 301.324 -0.059 5 10 DBBE O=C(Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1NC[C@H](O)[C@@H]1O 2201147600 BJZARKIKZFYIBG-SFGNSQDASA-N 301.686 -0.120 5 10 DBBE CSC1(C(=O)O)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 2362127581 NTGYROPQXJLCLC-UHFFFAOYSA-N 300.296 -0.180 5 10 DBBE CO[C@@H](CN)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2365428556 ZGRUVOJLGHXHFC-ZETCQYMHSA-N 307.303 -0.014 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 49102092 PHBQBLUBMQAMTD-ZCFIWIBFSA-N 317.327 -0.707 5 10 DBBE CN1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1=O 151076280 ILURCNMFCFIPAH-VIFPVBQESA-N 310.314 -0.289 5 10 DBBE COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nn1cnnc1 170357364 BXVXWYAWCKIAIU-UHFFFAOYSA-N 306.238 -0.096 5 10 DBBE O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CN1CCOCC1 339212235 AKTBOZMHLQJSPA-CYBMUJFWSA-N 323.349 -0.053 5 10 DBBE CCN(C[C@H](O)C(F)(F)F)C(=O)Cn1cnc([N+](=O)[O-])n1 428504008 RPNRJIMMPYNCHU-LURJTMIESA-N 311.220 -0.042 5 10 DBBE CN(CCN1CCCS1(=O)=O)C(=O)c1c[nH]nc1[N+](=O)[O-] 619788284 JRYMQCWKGGNVSM-UHFFFAOYSA-N 317.327 -0.575 5 10 DBBE COC[C@@H](CO)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 722288449 AYSPKFACTCRUAR-SSDOTTSWSA-N 305.312 -0.537 5 10 DBBE CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@](O)(C(N)=O)C1 784470448 KYIWWIFNRLRGKL-CYBMUJFWSA-N 308.294 -0.619 5 10 DBBE COC(=O)[C@@]1(OC)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 862743121 HNEIRACTXAHCIV-CYBMUJFWSA-N 324.293 -0.024 5 10 DBBE CS(=O)(=O)C1(COC(=O)Cn2cnc([N+](=O)[O-])n2)CCC1 1343413026 HOSBLSPKQRZIET-UHFFFAOYSA-N 318.311 -0.303 5 10 DBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc([N+](=O)[O-])o1 1439878077 DWZMBLOCJGPCJU-ZETCQYMHSA-N 311.250 -0.356 5 10 DBBE CNc1nccc(C(=O)N2CCN(C)C[C@H]2CO)c1[N+](=O)[O-] 1454223264 UIQWJAXNBJBJGZ-VIFPVBQESA-N 309.326 -0.220 5 10 DBBE O=C(NCC1(NCc2nnnn2C2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1670781669 MQPCRNOINJUTSV-NXEZZACHSA-N 321.341 -0.588 5 10 DBBE Cc1ncc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1C 1705264077 XFRCEHLIJAHJRE-NXEZZACHSA-N 321.337 -0.228 5 10 DBBE CN(C)C(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 1732392075 FCPNCXVEIZCLQB-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC([N+](=O)[O-])C1 1900027984 FCRYGDCDZBIXKF-IONNQARKSA-N 303.315 -0.252 5 10 DBBE C[C@H](CS(N)(=O)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2152959267 YMMYDOKKTQEQPN-SSDOTTSWSA-N 323.352 -0.450 5 10 DBBE CN=c1nc(N=[S@@]2(=O)CC[C@@H](N)C2)c([N+](=O)[O-])c(C)[nH]1 2173937312 ZLDJOYDTARHUHR-JLPJYYFKSA-N 300.344 -0.013 5 10 DBBE CNC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F 2179602163 QVXBKZLRYZODSX-UHFFFAOYSA-N 309.250 -0.103 5 10 DBBE CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 50678218 IYQFQGKALZTKGS-SSDOTTSWSA-N 316.339 -0.020 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H](O)CN 312859752 RSRYOTQXAVBMNK-SNVBAGLBSA-N 303.340 -0.157 5 10 DBBE N[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)O 323287454 KRVZGLHCKFZXDV-ZCFIWIBFSA-N 307.259 -0.576 5 10 DBBE C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)S(N)(=O)=O 350621419 RIOWFGIXUWYYAY-QMMMGPOBSA-N 301.324 -0.070 5 10 DBBE CO[C@](C)(CO)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 594486182 XCEKMTUYZCKDHG-JTQLQIEISA-N 305.312 -0.335 5 10 DBBE C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H](O)CO 698921955 YTSCZPRCQWAGBM-RCOVLWMOSA-N 308.287 -0.246 5 10 DBBE Nc1cc([N+](=O)[O-])cc(N2CCC[C@H](S(N)(=O)=O)C2)n1 707384180 GWXZQOLUYJAOLT-QMMMGPOBSA-N 301.328 -0.171 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCNC[C@@H]2O)c1 710423770 WTCSTKAVVPAQGZ-MNOVXSKESA-N 301.324 -0.404 5 10 DBBE C[C@H](CN(C)S(C)(=O)=O)OC(=O)c1nn(C)cc1[N+](=O)[O-] 786615851 UZJQJUBOMHNUTK-SSDOTTSWSA-N 320.327 -0.235 5 10 DBBE CCN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cnon1 1273668702 WYVKEVZACBNVBO-UHFFFAOYSA-N 323.313 -0.037 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](NS(C)(=O)=O)C1 1307178214 FVJHRMKPUMPFKR-QMMMGPOBSA-N 303.344 -0.154 5 10 DBBE CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(CCOCCO)CC1 1479886795 CKLPFPJLXFLIJB-CHWSQXEVSA-N 315.370 -0.417 5 10 DBBE CCOC(=O)C[C@@H](O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1630053235 VMNOPSFGVKIYSG-SECBINFHSA-N 300.271 -0.778 5 10 DBBE Cn1cnnc1[C@@H](CO)NC(=O)COc1ccc([N+](=O)[O-])cc1 1646082085 OAZWWCGXDVNJKR-LLVKDONJSA-N 321.293 -0.048 5 10 DBBE CN(CCNC(=O)C12CCCN1CCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1745186991 RICIPMRSMDIFIH-VXGBXAGGSA-N 324.381 -0.145 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@H](C)CS(N)(=O)=O)c1[N+](=O)[O-] 2096636336 GWGVIMMISVQGLL-SCSAIBSYSA-N 309.735 -0.143 5 10 DBBE NNc1cccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)c1[N+](=O)[O-] 2177964280 XWYJLTZTRRJPBS-IUCAKERBSA-N 302.312 -0.550 5 10 DBBE CO[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N 2179201168 GXNQCDLJLDUHLS-QWRGUYRKSA-N 301.324 -0.059 5 10 DBBE CN=c1[nH]c(N2CC[C@@H](S(C)(=O)=O)C2)ncc1[N+](=O)[O-] 2179917912 VCQQHXPQIZLNIU-SSDOTTSWSA-N 301.328 -0.528 5 10 DBBE Nc1ccc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](O)[C@H]2CO)c1Cl 2201053812 KRFGWFMNWCQNFV-FYBVGQRMSA-N 303.702 -0.267 5 10 DBBE O=C(O)CNC(=O)CNC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2326015914 GNVFHRSPQLOCCU-UHFFFAOYSA-N 307.262 -0.075 5 10 DBBE C[P@@]1(=O)C[C@@H](O)[C@H](N=c2[nH]c(NN)ncc2[N+](=O)[O-])C1 2355681426 IUBKIQLTWPTTMP-CNEZUGHUSA-N 302.231 -0.760 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1nc(F)ncc1[N+](=O)[O-] 689012953 KUNHFLDHUYIBOA-CAHLUQPWSA-N 306.275 -0.252 5 10 DBBE CN(CCNS(C)(=O)=O)c1cc([N+](=O)[O-])cc(NN)n1 691094523 HOJYCXYFIDXAAP-UHFFFAOYSA-N 304.332 -0.739 5 10 DBBE C[C@@H]1NC(=O)[C@H](C)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1C 1144384713 IXAMFQXNKLBALF-GUBZILKMSA-N 322.321 -0.120 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](Cn2ccnn2)C1 1331230871 YNJLSSIAFTWJMR-VIFPVBQESA-N 306.286 -0.674 5 10 DBBE O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](O)[C@@H](O)C1 1655343999 NOVFYDOZWQENLT-UHTWSYAYSA-N 312.322 -0.238 5 10 DBBE N=c1cc([N+](=O)[O-])cc(NCCNS(=O)(=O)C2CC2)[nH]1 2158559548 FWFDIPNDOATBAG-UHFFFAOYSA-N 301.328 -0.104 5 10 DBBE CC1(CS(C)(=O)=O)CN(c2ncc([N+](=O)[O-])c(=N)[nH]2)C1 2173201492 FWJWDRBWFBOSGW-UHFFFAOYSA-N 301.328 -0.332 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]2[C@H](O)CO)cn1 2286205535 CXQRIMBQISHVLQ-DTWKUNHWSA-N 303.296 -0.894 5 10 DBBE CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(N)=O 50638686 XXNNOTYAMZKGIF-UHFFFAOYSA-N 302.312 -0.210 5 10 DBBE CC(=O)NCCNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126920535 NETANHWYNMAFKM-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE Cc1cc(S(=O)(=O)NC(CO)CO)cc([N+](=O)[O-])c1F 164572331 LMQBSEALELTMMK-UHFFFAOYSA-N 308.287 -0.326 5 10 DBBE Cc1c([N+](=O)[O-])cn(C[C@H](N)C(N)=O)c(=O)c1Br 165357905 MDITUHHLIKCRKQ-YFKPBYRVSA-N 319.115 -0.360 5 10 DBBE NC(=O)CCOc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-] 215859952 ORRJDLZQWVQRNK-UHFFFAOYSA-N 307.259 -0.365 5 10 DBBE COC(=O)[C@@]1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CCSC1 270652663 MWNVTRYWDZCXSU-LLVKDONJSA-N 314.323 -0.044 5 10 DBBE COC[C@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593570816 MBGHMTZKVFDQSJ-QMMMGPOBSA-N 305.312 -0.335 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCCN2CC3)n1 597626383 SVVAOLGTRQQHOB-LLVKDONJSA-N 322.369 -0.069 5 10 DBBE CN([C@H]1COC[C@@H]1O)S(=O)(=O)c1cncc([N+](=O)[O-])c1 709289461 ILRBJNRTQOSLGJ-UWVGGRQHSA-N 303.296 -0.630 5 10 DBBE NC(=O)C1(Nc2ncc([N+](=O)[O-])cc2Br)CNC1 715485602 FHSNARBXYKMYIE-UHFFFAOYSA-N 316.115 -0.009 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3C[C@H]2C(=O)O3)n1 1118815643 KBDFNYOVFJNFLZ-RITPCOANSA-N 302.268 -0.983 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](O)Cn2ccnn2)n1 1141931079 RTEYUVDREMTISG-SNVBAGLBSA-N 306.282 -0.319 5 10 DBBE CC(C)N(C)C(=O)CNC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1274014651 BGRMBDQYWLTDRK-GKUNOOHESA-N 312.370 -0.220 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCS(=O)(=O)CC1 1350011111 CMYUPJUWUIZTPP-UHFFFAOYSA-N 321.336 -0.591 5 10 DBBE Cc1nn[nH]c1C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1492350044 XWAOWXOEMNOJEI-RKDXNWHRSA-N 310.314 -0.643 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnsn1 1501044988 ISXSRZLYKNOLRA-VXNVDRBHSA-N 313.339 -0.266 5 10 DBBE COC(=O)[C@](C)(CO)NC(=O)Cn1c([N+](=O)[O-])cnc1C 1556975537 NIEUIZVKBVWEDF-NSHDSACASA-N 300.271 -0.860 5 10 DBBE Cn1ccc(CC(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1689326143 LSGYPXSNROZGCB-JGLYPNHGSA-N 321.337 -0.584 5 10 DBBE Cn1nnnc1CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1689987439 RXBYIKHOLBWFCW-GHMZBOCLSA-N 323.357 -0.654 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1CCCC1=O 1691017317 DFDAPAYTGNBBDV-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1[C@@H]1CCN(C)C1=O 2156817585 PYRDTAZDDBSKBR-ZCFIWIBFSA-N 303.300 -0.850 5 10 DBBE CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)N1CC(N)C1 2159024035 IRKIWKMICWQJOT-UHFFFAOYSA-N 300.340 -0.086 5 10 DBBE Nc1cc(N2CC[C@@H](CS(N)(=O)=O)C2)ncc1[N+](=O)[O-] 2165859796 ISYXCHZGSIWKIP-SSDOTTSWSA-N 301.328 -0.313 5 10 DBBE CCOC(=O)[C@H](N)C[S@@](=O)Cc1nn(C)cc1[N+](=O)[O-] 2195291904 PATNCDXFZXCHJH-JLPJYYFKSA-N 304.328 -0.533 5 10 DBBE O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1NC[C@@H](O)[C@@H]1O 2201149031 KNZWRRXFHMBDTJ-BBBLOLIVSA-N 301.686 -0.120 5 10 DBBE COc1nccc(O[C@H]2CS(=O)(=O)C[C@@H]2N)c1[N+](=O)[O-] 2288652364 YAOOTAUAEDNRLD-XPUUQOCRSA-N 303.296 -0.499 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 45012017 PEIBZCKWZNBDGG-UHFFFAOYSA-N 317.327 -0.705 5 10 DBBE O=C(O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 69412938 DNNCOJNUCLSUPA-HTRCEHHLSA-N 317.279 -0.802 5 10 DBBE C[C@@](O)(CO)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 90287434 MGRZHEIPUDRSJR-JTQLQIEISA-N 308.287 -0.245 5 10 DBBE Cn1ncnc1NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 127399354 GVOBAWHMOJCZLJ-UHFFFAOYSA-N 313.299 -0.190 5 10 DBBE CCn1ncnc1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 160863436 JEYGROUZLFVZIA-UHFFFAOYSA-N 301.288 -0.902 5 10 DBBE O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 236599016 OLNPIIVELHSXFH-IUCAKERBSA-N 306.271 -0.540 5 10 DBBE NC(=O)[C@]1(O)CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 351631570 GJHKSWQNYUBSEH-AWEZNQCLSA-N 323.305 -0.117 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(O)CCOCC2)nc1 593552847 JGCOHRHSPRFWFV-UHFFFAOYSA-N 317.323 -0.190 5 10 DBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3c([N+](=O)[O-])ncn3C)C[C@@H]12 596500446 CUJGTAUHAUWUKG-YIZRAAEISA-N 316.339 -0.424 5 10 DBBE C[C@H](O)[C@H](O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 717414338 IJWFVPJWLNVNBR-QUBYGPBYSA-N 306.296 -0.680 5 10 DBBE CN(CCS(C)(=O)=O)c1ncc([N+](=O)[O-])cc1C(N)=O 728051378 SVNORPNYIYAEMB-UHFFFAOYSA-N 302.312 -0.431 5 10 DBBE NC(=O)CN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1=O 839179127 KEQGYDZONVQWKY-UHFFFAOYSA-N 310.285 -0.137 5 10 DBBE Cc1cnc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 1271282083 RFXKQVRZNGZAMJ-NXEZZACHSA-N 310.310 -0.689 5 10 DBBE CCN(C)CCC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1526178859 JWABNXZPBWHBGQ-DIACKHNESA-N 324.381 -0.434 5 10 DBBE CNc1c(C(=O)N2CC(S(N)(=O)=O)C2)cccc1[N+](=O)[O-] 1570262656 LMPSMXVURLNCJB-UHFFFAOYSA-N 314.323 -0.251 5 10 DBBE CC(=O)OC[C@@H](CO)NC(=O)Cn1c([N+](=O)[O-])cnc1C 1638464877 MBGXIFBBEKSNBY-SECBINFHSA-N 300.271 -0.860 5 10 DBBE NCCOCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2156031392 NQWOOYCXDPHOTF-UHFFFAOYSA-N 307.303 -0.013 5 10 DBBE CS(=O)(=O)CC1CN(c2nc(NN)ncc2[N+](=O)[O-])C1 2159454386 ZOYHUBRQDHIMNW-UHFFFAOYSA-N 302.316 -0.849 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C[C@H]2O)cc1 2164978988 NAPSTTWWHXDOGI-FBIMIBRVSA-N 302.308 -0.243 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@](O)(CO)[C@@H](O)C1 2234099664 FMUNKWWDMYGSTB-OIBJUYFYSA-N 304.690 -0.667 5 10 DBBE Cn1nc(Br)c(N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])n1 2320104674 RASURYBHROBVDE-UHFFFAOYSA-N 315.091 -0.146 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)CC1 50671277 KCZAFNVUJHCCJE-UHFFFAOYSA-N 319.364 -0.070 5 10 DBBE Cn1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)n1 127393539 JGQPXTWQTRMNRO-UHFFFAOYSA-N 320.316 -0.734 5 10 DBBE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 132632504 HOWZLXLPEADIED-SSDOTTSWSA-N 314.323 -0.314 5 10 DBBE CNC(=O)[C@@H](C)Oc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-] 215828455 DSDWFJVLWHQHFT-RXMQYKEDSA-N 321.286 -0.105 5 10 DBBE CN(CC(=O)NC[C@H]1CNC[C@H]1O)c1ccccc1[N+](=O)[O-] 262129462 GHWDCYBCOLKJEW-ZWNOBZJWSA-N 308.338 -0.273 5 10 DBBE O=C(N=c1cc[nH]cc1[N+](=O)[O-])N1C[C@@H]2COC[C@]2(C(=O)O)C1 594697173 NJQXRAAQWAJJTB-AMIZOPFISA-N 322.277 -0.023 5 10 DBBE CNC[C@@H]1CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599097461 IQYKNJUWWUOIQN-QMMMGPOBSA-N 303.344 -0.299 5 10 DBBE CS(=O)(=O)N[C@@H]1CCN(c2nc(F)ncc2[N+](=O)[O-])C1 703170589 HKMHLWZDLIUBHU-ZCFIWIBFSA-N 305.291 -0.348 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)C[C@@H]2CCCO2)n1 1329411559 SAWNJLSFOPQEPN-ZETCQYMHSA-N 318.311 -0.298 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccn(C)n1 1357225477 ZWQQRKGVTNWYGH-MWLCHTKSSA-N 309.326 -0.384 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 1544957934 AEOKLUCGIQJJTC-JTQLQIEISA-N 319.277 -0.447 5 10 DBBE CCc1[nH]nc(C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c1[N+](=O)[O-] 1557966772 BBGQMSRIYPKZKZ-KNVOCYPGSA-N 321.293 -0.433 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(S(C)(=O)=O)CC2)n1 1566253699 ZBVZPRUGEGZZFT-UHFFFAOYSA-N 316.339 -0.023 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cc(=O)cc[nH]1 1637453726 FXOLXIDWANXGLE-UHFFFAOYSA-N 304.262 -0.239 5 10 DBBE Cc1cnn(C)c1C(=O)NCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688364871 IPCOCNQEPAERCR-NXEZZACHSA-N 309.326 -0.418 5 10 DBBE O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cn2c(n1)CCCC2 1736741525 OTPZGERKALKSCU-MWLCHTKSSA-N 321.337 -0.269 5 10 DBBE O=C(NCCN(C(=O)Cc1nc[nH]n1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1737881584 ZHXIEGXDVXNSEE-NXEZZACHSA-N 322.325 -0.880 5 10 DBBE C[C@H](CS(N)(=O)=O)Nc1ncc([N+](=O)[O-])c(N(C)C)n1 2157671964 ISWYOPASEBLTLJ-ZCFIWIBFSA-N 304.332 -0.460 5 10 DBBE Cc1nc(NN)[nH]c(=NCCCC[S@@](C)=O)c1[N+](=O)[O-] 2166652753 PSKOZUSWMWFTSC-HXUWFJFHSA-N 302.360 -0.029 5 10 DBBE CCS(=O)(=O)C[C@H](C)N=c1[nH]c(=NC)[nH]cc1[N+](=O)[O-] 2170586083 QZEQLAKQDMDOKI-ZETCQYMHSA-N 303.344 -0.495 5 10 DBBE C[C@@H](O)[C@H](CO)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2174118957 MKINQDVLEFJFJV-SVRRBLITSA-N 308.287 -0.246 5 10 DBBE NNc1ccc(S(=O)(=O)N=c2nc[nH]s2)cc1[N+](=O)[O-] 2240951835 IEDJPEXLRFMVRW-UHFFFAOYSA-N 316.324 -0.045 5 10 DBBE O=C(NCCS(=O)(=O)CCO)c1ccc([N+](=O)[O-])cc1 2360994819 TXVFGCDSCHAYSU-UHFFFAOYSA-N 302.308 -0.268 5 10 DBBE CO[C@@H](CN)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2365426714 JIWUPEVEBQSXPP-ZETCQYMHSA-N 307.303 -0.014 5 10 DBBE CS(=O)(=O)CC[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] 50015922 AHPFVZMBNSXMRF-JTQLQIEISA-N 315.351 -0.027 5 10 DBBE CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302391 VPCJGCGDKUURBW-SECBINFHSA-N 314.323 -0.111 5 10 DBBE COCCn1c(-c2ccc([N+](=O)[O-])o2)nnc1S(N)(=O)=O 158273301 DOCZQFUNBOSXKT-UHFFFAOYSA-N 317.283 -0.260 5 10 DBBE Cc1nn(C)c(N2CCC[C@@H]2CS(N)(=O)=O)c1[N+](=O)[O-] 341942377 ZHAZRQYGFBLNLG-MRVPVSSYSA-N 303.344 -0.106 5 10 DBBE CN1C(=O)C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O 344831643 WNIKIJNNEMGGOO-RXMQYKEDSA-N 319.320 -0.308 5 10 DBBE O=C1[C@@H]2CCCCN2C(=O)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 438793700 RBDSPZZDGCBSSU-MNOVXSKESA-N 323.309 -0.031 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CN2CCCN1CC2 597627021 WVPIWLXPSAQBHW-JTQLQIEISA-N 308.342 -0.552 5 10 DBBE COC(=O)[C@H](C)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599258863 PLWLDDKWUIITTM-ZCFIWIBFSA-N 306.300 -0.584 5 10 DBBE CS(=O)(=O)NC1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 600324002 ATBKZXHWRRKWON-UHFFFAOYSA-N 315.307 -0.326 5 10 DBBE CCOC(=O)c1ccnc(N2C[C@@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] 1163472134 FHJRHBWJBCJPEP-PSASIEDQSA-N 311.294 -0.044 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](c2nn[nH]n2)C1 1302937640 PSWJKYPPGDWQKY-MRVPVSSYSA-N 306.286 -0.289 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCNC2=S)n1 1306136154 LICVQGMCPNXGOV-UHFFFAOYSA-N 312.355 -0.269 5 10 DBBE CO[C@H](COC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCOC1 1327441636 LIRYGRSBCIAWPA-DTWKUNHWSA-N 300.271 -0.219 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCN(CC(F)F)C1 1451657228 TZHSCXTXDOVGQX-ZETCQYMHSA-N 304.257 -0.358 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCCS1(=O)=O 1532888749 CUFFMFANUMZROL-SECBINFHSA-N 316.339 -0.207 5 10 DBBE Cc1c[nH]c(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 1689587290 MLFUQWJXZFZISV-RKDXNWHRSA-N 307.310 -0.238 5 10 DBBE CCN(C)CCC(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1692249774 ZMWUSDCRPBVRJY-UHFFFAOYSA-N 324.385 -0.030 5 10 DBBE NC1CCS(=O)(=NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 1916503335 VOAQCDKLUYGVRR-UHFFFAOYSA-N 301.328 -0.093 5 10 DBBE O=C(O)[C@H]1CCN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)O1 2153375956 VGSKCMRDQOJZQA-MRVPVSSYSA-N 303.252 -0.231 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1CC2(C1)OC[C@H](O)[C@@H]2O 2183729731 XKZRGISBSQXBDK-CBAPKCEASA-N 300.292 -0.397 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1ccnc(O)c1[N+](=O)[O-] 2192677605 OILCRXLJAHHANP-YUMQZZPRSA-N 302.312 -0.508 5 10 DBBE CO[C@@]1(CN=c2[nH]cncc2[N+](=O)[O-])CCS(=O)(=O)C1 2235296627 MLRAJQDSYCCWEW-SNVBAGLBSA-N 302.312 -0.578 5 10 DBBE C[C@]1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS(=O)(=O)C1 44929821 ACBVRNABBKJEBS-MNOVXSKESA-N 318.355 -0.681 5 10 DBBE CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1 131938230 ZPLNTLWRGVZAAT-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE COc1cc(OCC(=O)NC[C@@](C)(O)CO)ccc1[N+](=O)[O-] 338626501 NLYWPWVOZDNDPE-CYBMUJFWSA-N 314.294 -0.158 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](CN)C1 563212548 YTTQRUGAGSFDEA-MRVPVSSYSA-N 320.396 -0.080 5 10 DBBE CCN(C)C(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594767596 PYIXTJNHRJYKQG-UHFFFAOYSA-N 302.312 -0.254 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CNCCCO2)nc1 595109795 QHEABSCIQXQFMJ-SNVBAGLBSA-N 316.339 -0.353 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2CCCC2=O)n1 599339958 PCMDNASKSGWKPN-UHFFFAOYSA-N 317.327 -0.771 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CSC[C@@H]2C(=O)O)n1 600655153 JXYHMCNLCARVSM-ZCFIWIBFSA-N 322.324 -0.524 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)NCC2(CO)COC2)c1 717587758 ZLXAXDNSMLPFKC-UHFFFAOYSA-N 303.296 -0.723 5 10 DBBE CO[C@H](C)CS(=O)(=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 764178334 BAAPVGDVUMQTIF-SSDOTTSWSA-N 306.300 -0.728 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC3(CC(N)C3)C2)n1 858609911 FJJSLDAOJYKVSC-UHFFFAOYSA-N 315.355 -0.124 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cn1 1157836998 SRVJHCSQVADGRX-MRVPVSSYSA-N 303.296 -0.875 5 10 DBBE CC(C)C(=O)N(C)CCOCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1287405817 LBPGCEYWLMMPKV-GHMZBOCLSA-N 301.343 -0.101 5 10 DBBE CCN(C(=O)CNCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1317585332 PLNODTNSOMZLGI-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE O=C(CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CC1 1488826887 WBLMHGKWXNHRAH-HJQYOEGKSA-N 310.354 -0.585 5 10 DBBE COCCS(=O)(=O)CC(=O)Nc1c([N+](=O)[O-])cnn1C 1518078520 BSOREVIOXLVHGK-UHFFFAOYSA-N 306.300 -0.672 5 10 DBBE CS(=O)(=O)C[C@H](O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1 1558636083 MPJUUBNMIKTGNS-LLVKDONJSA-N 316.335 -0.341 5 10 DBBE C[C@@H]1CS(=O)(=O)CCCN1c1ncc([N+](=O)[O-])c(N)n1 1612954425 CFCAUVHJERTDCV-SSDOTTSWSA-N 301.328 -0.020 5 10 DBBE COC1(OC)CCOC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] 1629921888 ATVRHEBNMBCKQD-MRVPVSSYSA-N 300.271 -0.174 5 10 DBBE O=C(CN1CCNC(=O)C1)NCCc1ccc([N+](=O)[O-])cc1 1630896376 UPRNHEFECNRYML-UHFFFAOYSA-N 306.322 -0.315 5 10 DBBE CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cnn(C)c1 1691254728 ZAHNQJVXMZMQNG-UHFFFAOYSA-N 321.341 -0.076 5 10 DBBE CC(=O)N1CCC(O)(CNCc2c([N+](=O)[O-])ncn2C)CC1 1700298600 QKAXKYDYFUQAKB-UHFFFAOYSA-N 311.342 -0.209 5 10 DBBE Cc1ncn(C)c1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737726420 SWUNWUDURYOVFP-NXEZZACHSA-N 309.326 -0.418 5 10 DBBE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccc([N+](=O)[O-])s1 2121331164 WKWBPOFQDYMXHV-RITPCOANSA-N 306.321 -0.456 5 10 DBBE CN(CCN(C)S(C)(=O)=O)c1nc(=N)[nH]cc1[N+](=O)[O-] 2146934389 BGLABMWVJATHSC-UHFFFAOYSA-N 304.332 -0.875 5 10 DBBE Cc1nccn1CCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156811558 BCYYWTGEZFCXJK-UHFFFAOYSA-N 300.300 -0.356 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 2157544685 GNMUSJYBAOFHFQ-UHFFFAOYSA-N 322.730 -0.229 5 10 DBBE C[C@H](NC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21)C(=O)O 31845529 ZHRJHEHGQMXWHW-ZETCQYMHSA-N 323.261 -0.091 5 10 DBBE CCN(CCO)S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 37900538 SAPGCYWMCBBWHE-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE C[S@](=O)CCNS(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-] 158490153 AHYRECCTKYALSY-LJQANCHMSA-N 322.368 -0.463 5 10 DBBE CCc1cc(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)n(C)n1 160856760 QIIHLSPTNGXARR-UHFFFAOYSA-N 314.327 -0.217 5 10 DBBE O=C1CN(S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1 177324409 XATVPVYGNUNYKW-UHFFFAOYSA-N 303.271 -0.146 5 10 DBBE Cc1ccc(C(=O)N2CCN(CC(N)=O)C(=O)C2)cc1[N+](=O)[O-] 458045115 NCMJLMTXFHGSMC-UHFFFAOYSA-N 320.305 -0.327 5 10 DBBE CN(C)C(=O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593606608 HWQVXJQCCRYKCT-UHFFFAOYSA-N 314.323 -0.111 5 10 DBBE CN(C)C[C@]1(O)CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 597574621 RDFKLUTVHMDPKD-CQSZACIVSA-N 323.353 0.101 5 10 DBBE C[C@@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599299010 DBKJUOLBIKKHID-SVRRBLITSA-N 317.327 -0.869 5 10 DBBE O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CNC[C@@H]1O 699966571 IDZPGPWWUHNCOD-APPZFPTMSA-N 321.742 -0.141 5 10 DBBE CON(C)C(=O)[C@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 859402455 CXKQQBDZSLNURX-ZETCQYMHSA-N 318.311 -0.324 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCS(=O)(=O)CC1 1136700717 YMTYVBOIEGQOGU-UHFFFAOYSA-N 316.339 -0.253 5 10 DBBE CCOCCOCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1284901028 UZHCSMRKRAHGAO-GHMZBOCLSA-N 315.326 -0.968 5 10 DBBE CC(C)(C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1)n1cc([N+](=O)[O-])cn1 1304143837 IOBCTBGIFWMQLW-IEBDPFPHSA-N 312.326 -0.083 5 10 DBBE CCOCCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 1327319830 MEIRGHIREXNNMH-VXGBXAGGSA-N 313.354 -0.399 5 10 DBBE CN(CCCNC(=O)CCn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1351251636 IUWHRVSPNPFCHQ-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE O=C(CCc1cn[nH]c1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1358665746 OBBNXAVCOKZXLJ-GHMZBOCLSA-N 321.337 -0.228 5 10 DBBE O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H](O)[C@@H](CO)C1 1460219538 AHJPJRPHLZIIBN-WZRBSPASSA-N 312.322 -0.381 5 10 DBBE Cn1ccn2c(CNC(=O)CCC(C)(C)[N+](=O)[O-])nnc2c1=O 1536823924 ZPTPUTIRBYIHMM-UHFFFAOYSA-N 322.325 -0.120 5 10 DBBE Cc1[nH]nc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)c1[N+](=O)[O-] 1588101891 RCZDIJJQTYXFON-KWQFWETISA-N 323.309 -0.254 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1N=c1cc(C)[nH]cc1[N+](=O)[O-] 1917799999 ATSAOHABMSGIDZ-GXSJLCMTSA-N 301.324 -0.056 5 10 DBBE Cc1nn(CC(=O)N=[S@](C)(=O)CCN)c(C)c1[N+](=O)[O-] 1924715247 YMXGJPCKPWFYJE-HXUWFJFHSA-N 303.344 -0.009 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1CCc1cn[nH]c1 2156826557 LAMMRLXMPGXLET-UHFFFAOYSA-N 300.300 -0.287 5 10 DBBE Cc1nc(NN)nc(N2CC[S@](=O)[C@H](C)C2)c1[N+](=O)[O-] 2171983209 XXPQRPUUAHYYAD-ZFFJSCCISA-N 300.344 -0.064 5 10 DBBE CN=c1nc(N2CC[C@H](S(C)(=O)=O)C2)c([N+](=O)[O-])c[nH]1 2179890247 IRRXZDXIPXEVIP-ZETCQYMHSA-N 301.328 -0.528 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1Nc1nccc(N)c1[N+](=O)[O-] 2192654012 AUCBKAVXNXYSGT-SFYZADRCSA-N 301.328 -0.631 5 10 DBBE NCCCN(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2281160205 YHHKRBNRNSSRMA-UHFFFAOYSA-N 303.340 -0.073 5 10 DBBE C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(N)s1)c1nn[nH]n1 125501602 VOJRDTARRNGCBD-GSVOUGTGSA-N 319.328 -0.209 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](CO)C2)c1 126374700 HUPFXETWFYFUGK-VIFPVBQESA-N 317.323 -0.441 5 10 DBBE O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CNC[C@@H]1O 262094614 DHHPRZBJVGHZIN-PELKAZGASA-N 313.285 -0.191 5 10 DBBE COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 338998648 ASEFYMAOSVTVSG-VIFPVBQESA-N 317.323 -0.284 5 10 DBBE Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@](O)(C(N)=O)C1 348211938 RADDFCUADLVIST-AWEZNQCLSA-N 322.321 -0.236 5 10 DBBE CCOC(=O)C[C@H](CO)NC(=O)c1c([N+](=O)[O-])c(C)nn1C 590555673 ZLMPQMXIBZQZRR-MRVPVSSYSA-N 314.298 -0.319 5 10 DBBE CN1CCOC[C@@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 599453537 ULWKMMAPEYYTNQ-VIFPVBQESA-N 316.339 -0.401 5 10 DBBE CN(C)C[C@@H](O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 717335247 WUBPUWIOXBPDSR-VIFPVBQESA-N 303.340 -0.204 5 10 DBBE O=C1CN(CC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N1 732356150 XODGOXYLVQWQCL-UHFFFAOYSA-N 321.245 -0.128 5 10 DBBE COC[C@H](OC)C(=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851329825 QICDPZYIQMJNCW-ZETCQYMHSA-N 319.295 -0.544 5 10 DBBE COC1(C(=O)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC1 861326174 DSMBGLRKPNHPFH-UHFFFAOYSA-N 318.311 -0.298 5 10 DBBE CCNC(=O)CN(C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C 1278908709 WCRXUFLPECVEOS-VXGBXAGGSA-N 314.386 -0.044 5 10 DBBE O=C(NCCNC(=O)C1(CF)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1292718705 RVKWZCMEBFFCRL-NXEZZACHSA-N 317.317 -0.350 5 10 DBBE CN(CCO)CCN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1454172639 VJGWYFOSOSXHTJ-UHFFFAOYSA-N 312.326 -0.861 5 10 DBBE Cn1cncc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1506128057 VFSVAKZSDWSESZ-RKDXNWHRSA-N 307.310 -0.536 5 10 DBBE COC(CN(CCCO)C(=O)c1c[nH]nc1[N+](=O)[O-])OC 1556269284 JVGRNOOHVWTZBL-UHFFFAOYSA-N 302.287 -0.239 5 10 DBBE O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC(=O)NCCO 1635681076 DRWWFDIDBREPBK-UHFFFAOYSA-N 323.305 -0.218 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H](CO)[C@H]1CO 1652340706 WRBQKZYFAIXERF-WDEREUQCSA-N 312.326 -0.308 5 10 DBBE CC(C)n1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1742405203 WKJIXUVLJXTLEI-MWLCHTKSSA-N 309.326 -0.025 5 10 DBBE Cn1cc(C(=O)NC[C@H]2CN3CCN2CC3)cc([N+](=O)[O-])c1=O 1890803326 DQQOIOAYSMNAIE-NSHDSACASA-N 321.337 -0.977 5 10 DBBE CC1(NC(=O)c2cc(=N)[nH]cc2[N+](=O)[O-])CS(=O)(=O)C1 1918414767 VVXRAJLHFSHQAP-UHFFFAOYSA-N 300.296 -0.681 5 10 DBBE CN(CC(=O)O)S(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 1968623122 RUGQFQAMFXOVMC-UHFFFAOYSA-N 303.296 -0.054 5 10 DBBE NC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2126187468 KAGCNBRCKDHXCU-ZETCQYMHSA-N 309.731 -0.154 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2COC[C@@H]2CO)cc1 2146503870 IYFHTSALNLDMHC-KWQFWETISA-N 302.308 -0.120 5 10 DBBE N[C@H]1COC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2149987837 LKEUHFLFWHKCAJ-JGVFFNPUSA-N 305.287 -0.262 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1CC(=O)NC1CC1 2156818775 WSTZEJZFMABIAN-UHFFFAOYSA-N 303.300 -0.974 5 10 DBBE O=C(CNC(=O)Cn1ccc([N+](=O)[O-])n1)NCc1ccco1 48273898 PIJLOMRRXJQKBS-UHFFFAOYSA-N 307.266 -0.183 5 10 DBBE COC(=O)[C@@H](CO)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 50070448 XEGJQGZXHAVDAY-MRVPVSSYSA-N 319.295 -0.812 5 10 DBBE Cc1ccc(S(=O)(=O)CCS(N)(=O)=O)c([N+](=O)[O-])c1 70214162 AWFKEUFHGCEQQW-UHFFFAOYSA-N 308.337 -0.035 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)n1 263225820 AOJHRMBFJZNDBJ-ISVAXAHUSA-N 324.293 -0.108 5 10 DBBE N[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O 323448397 SZMIEFWFAKXAGQ-SECBINFHSA-N 303.296 -0.574 5 10 DBBE CCOC(=O)C[C@H](CO)NC(=O)c1c([N+](=O)[O-])cnn1C 597677759 IOCRLLVEHIROEN-SSDOTTSWSA-N 300.271 -0.628 5 10 DBBE C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F)[C@H](O)CO 698921949 YTSCZPRCQWAGBM-IMTBSYHQSA-N 308.287 -0.246 5 10 DBBE O=C(O)[C@H]1C[C@@H]1CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 715276810 FCDLPBZSHWLXDZ-MUWHJKNJSA-N 301.280 -0.011 5 10 DBBE Cn1cc([N+](=O)[O-])c(OCC[C@@H]2CNCCS2(=O)=O)n1 725054098 CPYOXZXHIOLBOX-MRVPVSSYSA-N 304.328 -0.516 5 10 DBBE COC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 849471018 ZVVAOXMTVLHGCP-UHFFFAOYSA-N 318.311 -0.034 5 10 DBBE COC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCCOC1 1133847125 FOLDQLSBTTYDLD-NXEZZACHSA-N 313.314 -0.256 5 10 DBBE C[C@@H]1NC(=O)[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1C 1144385260 UBCWYAUKCAHHEA-LPEHRKFASA-N 322.321 -0.120 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN2CCOC[C@@H]2C1 1323828519 CCRSLDQZUALXFT-NSHDSACASA-N 322.321 -0.701 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)NS(C)(=O)=O)n1 1337147329 FLEPIRYFZNTVPD-UHFFFAOYSA-N 319.343 -0.614 5 10 DBBE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O 1457419814 ROJJGJTZSCUBGF-QARKVSRYSA-N 310.310 -0.512 5 10 DBBE CN(C(=O)CCn1ncn(C)c1=O)c1ccc([N+](=O)[O-])nc1 1538248408 XSSDYIXRKBRTTE-UHFFFAOYSA-N 306.282 -0.062 5 10 DBBE CN(C(=O)CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)C1CC1 1714664613 GTRDOTGXVORBHP-CHWSQXEVSA-N 324.381 -0.147 5 10 DBBE NS(=O)(=O)C1CN(c2ccc(C(=O)O)cc2[N+](=O)[O-])C1 1915000556 CRZBXOWMQVKJAR-UHFFFAOYSA-N 301.280 -0.230 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1CCOC[C@@H]1[C@H](O)CO 2146325158 CUUYZCYKWJHPLD-RKDXNWHRSA-N 302.308 -0.150 5 10 DBBE O=C(O)C[C@H]1CCCN(S(=O)(=O)N2CC([N+](=O)[O-])C2)C1 2191541031 TVFYFUKRSSNUMG-MRVPVSSYSA-N 307.328 -0.621 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2CNC[C@@H](F)C2)c1 2234650487 JLHDDHIZYRYCEX-YUMQZZPRSA-N 304.303 -0.032 5 10 DBBE Nc1sc(S(=O)(=O)NCc2nnc[nH]2)cc1[N+](=O)[O-] 157589423 URNCRQZFUVOZMO-UHFFFAOYSA-N 304.313 -0.165 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3nncc3C2)nc1 594472460 CCMYLFRCIRCDDI-UHFFFAOYSA-N 310.295 -0.214 5 10 DBBE C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)NCCF 594778197 BXWHEJXLNSDRGO-ZETCQYMHSA-N 320.302 -0.258 5 10 DBBE O=[N+]([O-])c1c(NCc2cnn[nH]2)ncnc1N1CCOCC1 598602213 RKIBXSAOMPNITA-UHFFFAOYSA-N 306.286 -0.048 5 10 DBBE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nn[nH]n2)c1 709895666 GZMNQUVJZDXHSJ-UHFFFAOYSA-N 300.260 -0.806 5 10 DBBE CN1C[C@H](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1=O 1133855456 CIKXHMNVCSXYMH-SNVBAGLBSA-N 322.321 -0.259 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NCC(=O)N2CCOCC2)n1 1152824275 KHXORCMGCXSHOV-UHFFFAOYSA-N 311.298 -0.600 5 10 DBBE COCCCNC(=O)CN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] 1337166484 OEKRCZITELKDDP-UHFFFAOYSA-N 313.314 -0.447 5 10 DBBE CO[C@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 1347178306 MATZPYQAEPAPFG-RAIGVLPGSA-N 314.342 -0.207 5 10 DBBE CC(=O)N(C)CC(=O)NCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1492279934 SGRRAECJZZTINN-GHMZBOCLSA-N 314.342 -0.905 5 10 DBBE CN(C)C(=O)CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1629069091 OTTRANUGLLDFOT-UHFFFAOYSA-N 318.293 -0.007 5 10 DBBE CS(=O)(=O)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 1645734148 QDMUQHXLEBUBRT-ZETCQYMHSA-N 318.311 -0.797 5 10 DBBE CNc1nccc(C(=O)NCCN2CCNC2=S)c1[N+](=O)[O-] 1654096004 IRULLZOPFKLXPX-UHFFFAOYSA-N 324.366 -0.049 5 10 DBBE Cc1nn(C)c(C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c1[N+](=O)[O-] 1654776692 PQDZCXJVLNPZQV-OCAPTIKFSA-N 321.293 -0.676 5 10 DBBE CN(C)CCC(=O)N(C)CCNCc1c([N+](=O)[O-])ncn1C 1664165461 WMRJYZMGRLJEFF-UHFFFAOYSA-N 312.374 -0.172 5 10 DBBE Nc1ccc(S(=O)(=O)N2C[C@H](O)[C@H](F)C2)c([N+](=O)[O-])c1 2149265565 BCXHJWGLFQGJMH-APPZFPTMSA-N 305.287 -0.120 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)c1cc([N+](=O)[O-])ccc1N 2152954740 QKXOPBXXUCBQPA-LURJTMIESA-N 302.312 -0.416 5 10 DBBE COc1nc(NC2[C@H]3CS(=O)(=O)C[C@H]23)ncc1[N+](=O)[O-] 2174660825 APHMRTMJVULKKG-WDSKDSINSA-N 300.296 -0.152 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(N[C@@H]2CS(=O)(=O)C[C@H]2O)[nH]1 2177958888 LNBWJPPURWKLGA-HTRCEHHLSA-N 302.312 -0.977 5 10 DBBE Cc1ccc(S(=O)(=O)NC2(CO)COC2)cc1[N+](=O)[O-] 2189262490 ALSPFTYQLYCMRF-UHFFFAOYSA-N 302.308 -0.057 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC2(CO)COC2)ccc1O 2189264268 KUSLMIMPPNWOQB-UHFFFAOYSA-N 304.280 -0.660 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)CCOC2CNC2)nc1 2201215901 AKPHFXZEDDBMSW-UHFFFAOYSA-N 301.324 -0.107 5 10 DBBE Cc1[nH]c(=N)[nH]c(=NCCS(=O)(=O)C2CC2)c1[N+](=O)[O-] 2290120098 APUSFHCQUGJGOR-UHFFFAOYSA-N 301.328 -0.483 5 10 DBBE O=C1C(=O)N(CC(=O)N2CCOCC2)c2ccc([N+](=O)[O-])cc21 6243464 DAXOBTAIXZJPET-UHFFFAOYSA-N 319.273 -0.017 5 10 DBBE CCNc1ncnc(NCCCS(N)(=O)=O)c1[N+](=O)[O-] 133243216 IHHJMEPIACVETA-UHFFFAOYSA-N 304.332 -0.093 5 10 DBBE CC[S@@](=O)CCNC(=O)c1cc([N+](=O)[O-])ncc1NN 305978673 QXLTWIFJQLYHOE-HXUWFJFHSA-N 301.328 -0.226 5 10 DBBE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1=O 362243467 ZIFQCPVWDMYCJH-HRDYMLBCSA-N 308.298 -0.688 5 10 DBBE NC(=O)CN1CCN(c2c([N+](=O)[O-])ccc3c2CCN3)CC1=O 413424658 QKTSOTAZUPBUSZ-UHFFFAOYSA-N 319.321 -0.303 5 10 DBBE CN1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1=O 593540076 JFLASEUBKXQKHQ-SSDOTTSWSA-N 300.296 -0.501 5 10 DBBE NNc1cccc(S(=O)(=O)Nc2nn[nH]n2)c1[N+](=O)[O-] 709895244 AXHVIGFSPSMSGV-UHFFFAOYSA-N 300.260 -0.806 5 10 DBBE CNC(=O)NC[C@H]1CN(c2ccnc(O)c2[N+](=O)[O-])CCO1 1118863967 ILKSFVHDDLVKCN-QMMMGPOBSA-N 311.298 -0.170 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CCN(CC1)C2 1294066101 QCOYJIDKFPNUSA-VXGBXAGGSA-N 324.381 -0.288 5 10 DBBE C[C@H]1CC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CN1 1329070515 RKOZXWBMBRYDPD-VHSXEESVSA-N 324.341 -0.836 5 10 DBBE CC[C@@H](C)OCC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1351531314 GXMBWIMMYYVLEW-SSDOTTSWSA-N 320.327 -0.052 5 10 DBBE Cc1nccn1CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1506049230 UGTGGGDLEOYEDO-GHMZBOCLSA-N 321.337 -0.378 5 10 DBBE Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC(=O)NCCO 1639604026 HXQQJMGBGCIQTG-UHFFFAOYSA-N 311.220 -0.133 5 10 DBBE CCc1[nH]nc(C(=O)N2CC(O)(c3ccnn3C)C2)c1[N+](=O)[O-] 1644325058 QSPJWZSEUHKHRZ-UHFFFAOYSA-N 320.309 -0.043 5 10 DBBE CCC(=O)NCC(=O)NCCN(CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688390752 FQJIKNCTQIRJLQ-NXEZZACHSA-N 314.342 -0.858 5 10 DBBE C[C@@H](O)[C@@H](NC(=O)C(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 1866062171 FCWOABDVVWXJAZ-RDDDGLTNSA-N 310.262 -0.343 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]1CO 2148957879 IJDVATRMDDGWAB-QMMMGPOBSA-N 302.312 -0.364 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNCCOC2)cc1 2152193724 CMCVIMWQUPQJNY-SECBINFHSA-N 301.324 -0.139 5 10 DBBE NS(=O)(=O)NCCNc1cc([N+](=O)[O-])ccc1C(=O)O 2157525317 KVUYEYJXXIQVRZ-UHFFFAOYSA-N 304.284 -0.502 5 10 DBBE C[C@@H](CS(=O)(=O)N(C)C)NCc1nn(C)cc1[N+](=O)[O-] 2159117595 XOPGODSJKXFLNW-QMMMGPOBSA-N 305.360 -0.302 5 10 DBBE NC1CN(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2F)C1 2176890987 SIYZNQQEQMFBAV-UHFFFAOYSA-N 304.303 -0.289 5 10 DBBE C[C@H]1[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN 2182524003 QTIIVWAOYOITPK-IMTBSYHQSA-N 302.312 -0.366 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CNCC[C@H]2O)c1 2183273168 ZPWDCXUCDUPXDK-WDEREUQCSA-N 301.324 -0.404 5 10 DBBE Cc1cc(=N[C@@H]2CNC[C@@H]2S(C)(=O)=O)c([N+](=O)[O-])c[nH]1 2192656425 KQEVLQHWTLFBCX-KOLCDFICSA-N 300.340 -0.483 5 10 DBBE CN1CC[C@@H](NS(=O)(=O)c2ccc(NN)c([N+](=O)[O-])c2)C1 49086992 LOWRGMPLFDQBCM-MRVPVSSYSA-N 315.355 -0.137 5 10 DBBE CNCc1ccc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@H]2O)c1 50516758 BASMOEYZOACADK-ZYHUDNBSSA-N 316.335 -0.149 5 10 DBBE CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nnn[nH]1 50672795 JONMIHBWTNVUST-UHFFFAOYSA-N 313.299 -0.372 5 10 DBBE C[C@@H](O)[C@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 80737654 SROQXIYDEOVCKE-HZGVNTEJSA-N 307.303 -0.280 5 10 DBBE Cn1nnc(NS(=O)(=O)c2c(N)cc([N+](=O)[O-])cc2F)n1 127720707 REGCNQUXLZQHTR-UHFFFAOYSA-N 317.262 -0.360 5 10 DBBE NC(=O)OCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N 135278825 JORYFACVQGXRAU-UHFFFAOYSA-N 304.284 -0.449 5 10 DBBE O=C(O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 166515508 NSADWDLCXBWWPU-LURJTMIESA-N 319.251 -0.804 5 10 DBBE O=C(N=c1cc[nH]cc1[N+](=O)[O-])N[C@H]1CCCN(CCO)C1=O 352878453 UGMKHAIULIMYPL-JTQLQIEISA-N 323.309 -0.484 5 10 DBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[C@H]1O 425059527 LPHLHKMBGQMPGV-MWLCHTKSSA-N 321.289 -0.040 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCNC1=O 595064044 CLRACBGTWVMBEN-VIFPVBQESA-N 306.278 -0.154 5 10 DBBE COCC(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 611525631 QBICLDVZBLQQJJ-UHFFFAOYSA-N 324.337 -0.036 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCOC[C@@H]1CCO 765429331 PFPUBWFRWNASHG-NSHDSACASA-N 311.294 -0.634 5 10 DBBE COC[C@@H](C)S(=O)(=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1116509590 WOCWKWMTJQVIGE-ZCFIWIBFSA-N 306.300 -0.577 5 10 DBBE Cn1ncnc1C1(O)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 1153625434 QRJAUYQJLFSKDW-UHFFFAOYSA-N 317.305 -0.004 5 10 DBBE Cn1cc([N+](=O)[O-])c(N2CCO[C@@H](CS(C)(=O)=O)C2)n1 1307222209 KQMRXHAIOCKNIN-MRVPVSSYSA-N 304.328 -0.422 5 10 DBBE Cn1[nH]c([C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)nc1=N 1321293229 VSUJMXZAWPFAFN-SECBINFHSA-N 320.313 -0.304 5 10 DBBE CN(C)S(=O)(=O)c1ccc(N2CC=C(N)N2)c([N+](=O)[O-])c1 1559277733 AELGBRQOZWBEIG-UHFFFAOYSA-N 313.339 -0.030 5 10 DBBE Cn1nnnc1CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1570104124 VBGNOODLBUSHEY-RKDXNWHRSA-N 309.330 -0.996 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCO[C@H]2CNC[C@@H]21 1615977253 KPKPPWPRPVLCJT-QWRGUYRKSA-N 313.335 -0.044 5 10 DBBE NS(=O)(=O)NC1CN(C(=O)c2ccc([N+](=O)[O-])s2)C1 1634644422 ZUUZLIJAIHARDX-UHFFFAOYSA-N 306.325 -0.726 5 10 DBBE N[C@H]1CS(=O)(=O)C[C@H]1Oc1ncnc(Cl)c1[N+](=O)[O-] 2128225612 ODZFSMRVAWLQLG-CRCLSJGQSA-N 308.703 -0.459 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1COC[C@H]1N 2149988315 NJUBGIYHPQRDGG-RKDXNWHRSA-N 301.324 -0.092 5 10 DBBE CCN(c1ncc([N+](=O)[O-])c(=N)[nH]1)[C@H]1CCS(=O)(=O)C1 2157641650 YBAVTMUHKZQLDG-ZETCQYMHSA-N 301.328 -0.189 5 10 DBBE Cc1nc(NN)[nH]c(=NCCCC[S@](C)=O)c1[N+](=O)[O-] 2166652752 PSKOZUSWMWFTSC-FQEVSTJZSA-N 302.360 -0.029 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N[C@@H](C(=O)O)C1CS(=O)(=O)C1 2197526030 QPOXBFSKSROMSH-SSDOTTSWSA-N 304.284 -0.762 5 10 DBBE CCn1cc([N+](=O)[O-])c(=N[C@@H](C)CS(=O)(=O)N(C)C)[nH]1 2238912038 KMKSFDQVMDZPDV-QMMMGPOBSA-N 305.360 -0.075 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@H](N)[C@@H](C)O)c([N+](=O)[O-])c1 80739120 RPKILXKUMMCWGX-APPZFPTMSA-N 319.339 -0.410 5 10 DBBE O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC(CO)CO 87752256 WQYGCIROZSCWSU-UHFFFAOYSA-N 310.715 -0.120 5 10 DBBE N[C@@H](CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O)C(=O)O 88117647 MAYBKCXQFOGEPK-ZETCQYMHSA-N 315.263 -0.849 5 10 DBBE CNc1sc(S(=O)(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] 125399908 OOQITMUBTVDFBF-UHFFFAOYSA-N 320.352 -0.182 5 10 DBBE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](CO)C1 167833757 UEFGUELDGXJJJW-QMMMGPOBSA-N 316.339 -0.117 5 10 DBBE C[C@@H]1OCC[C@H]1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 190301403 MAUYAWUWQRXPKC-WCBMZHEXSA-N 304.328 -0.112 5 10 DBBE C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1(=O)=O 247521952 NMIUGCIACCZQAJ-GXSJLCMTSA-N 318.355 -0.729 5 10 DBBE CCOC(=O)[C@@H](N)Cn1nc([N+](=O)[O-])nc1Br 304434883 UDXJYGQEMGOUEB-BYPYZUCNSA-N 308.092 -0.161 5 10 DBBE Nc1sc(S(=O)(=O)N2CC[C@](O)(CO)C2)cc1[N+](=O)[O-] 313683006 CWUCTEBJXVHUDP-SECBINFHSA-N 323.352 -0.644 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] 316912058 FTUWPPBKLHOKRM-IYSWYEEDSA-N 323.352 -0.788 5 10 DBBE COC(=O)C1=NOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 373493709 LQMJKLCMSVELHL-PSASIEDQSA-N 311.294 -0.038 5 10 DBBE Nc1cc(N2CCN3C[C@H](O)C[C@H]3C2)cc(CO)c1[N+](=O)[O-] 594603983 QILYHNHJZXXAKL-NWDGAFQWSA-N 308.338 -0.076 5 10 DBBE O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC(O)(CO)C1 597704875 HHLISGUUAFTIIT-UHFFFAOYSA-N 318.289 -0.040 5 10 DBBE CN([C@@H]1COC[C@@H]1O)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 708203197 QLWHXRLCTGIZJR-RQJHMYQMSA-N 323.352 -0.381 5 10 DBBE Cn1cncc1CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1285545791 SIZSGOMUTKTEFP-JGLYPNHGSA-N 321.337 -0.584 5 10 DBBE Cn1ncc([N+](=O)[O-])c1N1CCN(S(=O)(=O)C2CC2)CC1 1472834815 OHPNCXMQMVUVKB-UHFFFAOYSA-N 315.355 -0.058 5 10 DBBE CN(CCCS(C)(=O)=O)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1482596033 DMXMQVGYOQAQPS-GHMZBOCLSA-N 321.399 -0.524 5 10 DBBE O=C(NCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)c1cnn[nH]1 1493081918 BCLPMSAUPJYXLN-MWLCHTKSSA-N 322.325 -0.419 5 10 DBBE COC(=O)[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCOC1 1540282471 FHHXJCSVJZARIB-LBPRGKRZSA-N 312.282 -0.513 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCCC(=O)NC1CC1 1631781485 IMIGIEJZZAMJFT-UHFFFAOYSA-N 322.321 -0.069 5 10 DBBE CCOC(=O)COCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C 1638704590 ZYUIYHVTAMLZLG-UHFFFAOYSA-N 314.298 -0.054 5 10 DBBE O=[N+]([O-])c1nn(C[C@@]2(O)CNC[C@H]2O)cc1Br 1951004453 SNNSSKINVXPIDT-SVRRBLITSA-N 307.104 -0.751 5 10 DBBE O=[N+]([O-])c1cnc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)s1 2087402919 SZVDZXBJMWSBIQ-RQJHMYQMSA-N 304.353 -0.374 5 10 DBBE Nc1ccc(S(=O)(=O)N2C[C@H](O)[C@H](F)C2)cc1[N+](=O)[O-] 2149208238 SSPIINSGLQDWFA-XCBNKYQSSA-N 305.287 -0.120 5 10 DBBE C[C@H]1CCCN1CCn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2161261105 MDKAJNJLIFYXQU-QMMMGPOBSA-N 303.344 -0.077 5 10 DBBE Cc1nc(Cl)[nH]c(=N[C@@H]2C[C@H](O)[C@H](O)[C@@H]2O)c1[N+](=O)[O-] 2165119606 FREZHUITRLUNSD-ROHCDXGRSA-N 304.690 -0.965 5 10 DBBE NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2187582342 FWWXAKPCVLSOKT-BDAKNGLRSA-N 301.324 -0.323 5 10 DBBE O=C(O)[C@H](Nc1ncccc1[N+](=O)[O-])C1CS(=O)(=O)C1 2197526008 QKXITMIGKIHQFG-MRVPVSSYSA-N 301.280 -0.101 5 10 DBBE COC[C@@]1(CO)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 1194410691 VSEBTRBCPVKTTB-STQMWFEESA-N 314.342 -0.517 5 10 DBBE COc1ncccc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1293304314 SWVBODBTWJMLDP-GHMZBOCLSA-N 322.321 -0.009 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)[C@@]2(C)CCCO2)n1 1335185886 DAHBPGVAKJTYEC-SNVBAGLBSA-N 318.311 -0.298 5 10 DBBE NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 1456620617 YXRUCYPXXYWKPX-SSDOTTSWSA-N 302.312 -0.327 5 10 DBBE Cc1ncc(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 1583152781 QGEISHKNRPXGET-ONKIFHLLSA-N 307.310 -0.214 5 10 DBBE Nc1ncc(C(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] 1628502367 FSCQMLJQIVBTFH-SNVBAGLBSA-N 307.310 -0.537 5 10 DBBE CN(CCS(N)(=O)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 1655495054 NRTFXPBVTVWIEE-NSHDSACASA-N 303.340 -0.152 5 10 DBBE CCOCC(=O)N1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1681604076 CURUQDBBQSRDQO-GHMZBOCLSA-N 311.338 -0.251 5 10 DBBE COCCN1CCN(C(=O)c2cc([N+](=O)[O-])c(=O)n(C)c2)CC1 1890058634 UVSYKNWBXXYWPB-UHFFFAOYSA-N 324.337 -0.302 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 1914993941 JBACHHXRRZZQHI-UHFFFAOYSA-N 301.280 -0.587 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2(CO)CNC2)c(Cl)c1 1918428734 DVRQYBUHQLHYMH-UHFFFAOYSA-N 321.742 -0.139 5 10 DBBE Cc1nn(C)cc1Cn1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2143484255 BWVCTLDLMFVQHV-UHFFFAOYSA-N 300.300 -0.471 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1COC[C@H]1N 2149984997 AXSMXYPTLMOOPS-NXEZZACHSA-N 301.324 -0.092 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1cccc([N+](=O)[O-])c1F 2157548640 UYWCQTFIOKRGLM-UHFFFAOYSA-N 306.275 -0.743 5 10 DBBE O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC(O)(CO)C1 2171960305 QFUMPCIQKBZDLF-UHFFFAOYSA-N 306.271 -0.538 5 10 DBBE CCOC(=O)CN(CC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599227327 SDTCQWUSZHFCDX-UHFFFAOYSA-N 320.327 -0.098 5 10 DBBE CC(C)(CCC(=O)N[C@H]1CCCN(CC(N)=O)C1)[N+](=O)[O-] 1136672627 TVVJPUGWSOVVCP-JTQLQIEISA-N 300.359 -0.112 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)C(=O)OC)n1 1296146246 NDMMCCQEKQRKBO-LLVKDONJSA-N 300.271 -0.535 5 10 DBBE CC(C)(C)NC(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1499221318 MHSXPGHZTLWMLE-NXEZZACHSA-N 312.370 -0.195 5 10 DBBE COC1(OC)CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1O 1627279703 NKZQAIDPKYDADH-QMMMGPOBSA-N 300.271 -0.486 5 10 DBBE CCn1nccc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1758161385 CRLJOKZXZRGFBU-MWLCHTKSSA-N 309.326 -0.196 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2C[C@H](O)C(F)(F)C2)c1 1965790319 IZHGKRPYMPBGRD-QMMMGPOBSA-N 309.250 -0.010 5 10 DBBE O=C(c1csc([N+](=O)[O-])c1)N1CCOC[C@@H]1[C@H](O)CO 2146328159 DDNPGZYFBCSSQQ-RKDXNWHRSA-N 302.308 -0.150 5 10 DBBE NS(=O)(=O)NCCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 2157534270 HSDJWYQUTKJJJI-UHFFFAOYSA-N 300.300 -0.902 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNC[C@H]2[C@@H]3CS(=O)(=O)C[C@H]23)n1 2174622524 UAUOMQFEDRNALX-PSVAKVPMSA-N 300.340 -0.292 5 10 DBBE C[C@@H]1[C@H](O)CN1S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 2182522958 JHYRSAAUVQXEEF-HTRCEHHLSA-N 302.312 -0.366 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N1CC2(C1)OC[C@H](O)[C@H]2O 2183639224 SFSAXFMTJSZUPT-NKWVEPMBSA-N 302.674 -0.651 5 10 DBBE NC(CO)(CO)CNC(=O)c1cc([N+](=O)[O-])cnc1Cl 2286177203 HOMHUCDFKJVASD-UHFFFAOYSA-N 304.690 -0.945 5 10 DBBE COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 35219861 MAGJYHYUAREWKS-MRVPVSSYSA-N 322.270 -0.454 5 10 DBBE CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCNC(=O)C1 50649845 MNDAQVGWQSHNAH-UHFFFAOYSA-N 314.323 -0.243 5 10 DBBE C[C@H](O)CN(C)S(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-] 51840053 AFXIAGCYUAVJPZ-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE CO[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302404 SRAGRHRZLINXBJ-BDAKNGLRSA-N 302.312 -0.745 5 10 DBBE Nc1sc(S(=O)(=O)N[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] 125461769 OVHJUGPYGDBIKX-RXMQYKEDSA-N 320.352 -0.205 5 10 DBBE C[C@@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 132200101 SBOBJJNYVQTMAV-MRVPVSSYSA-N 321.330 -0.017 5 10 DBBE COC[C@@H](O)CN(C)C(=O)CCn1cc([N+](=O)[O-])nc1C 177379138 KBNUIHDZUDJSBL-JTQLQIEISA-N 300.315 -0.044 5 10 DBBE O=C1CC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C(=O)N1 272268718 CRUZFAPCFLPIDP-SSDOTTSWSA-N 321.245 -0.142 5 10 DBBE CN(C)CCN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O 593784667 UIDRZSMOBHGLHM-UHFFFAOYSA-N 310.314 -0.836 5 10 DBBE COC(=O)[C@]1(OC)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 600292643 ZLSWBICBOKUXFI-LBPRGKRZSA-N 312.282 -0.418 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1cc([N+](=O)[O-])cc(N)n1 696995353 MJHLVRFZHPVUCL-HTQZYQBOSA-N 302.312 -0.204 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](O)CO 698918151 JINBYYRBYSOOEV-MUWHJKNJSA-N 308.287 -0.246 5 10 DBBE CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1135986956 QRMSOECYLMRVQD-QMMMGPOBSA-N 314.323 -0.169 5 10 DBBE CCN1CCN(CCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1346620624 CWVUMCGTTFASNK-UHFFFAOYSA-N 310.358 -0.304 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 1440902874 OSDDBWNMBRPIEG-JTQLQIEISA-N 302.312 -0.365 5 10 DBBE CS(=O)(=O)c1ccc(C(=O)Nn2cnnc2)cc1[N+](=O)[O-] 1632777474 BDWYNCNBVRSPGN-UHFFFAOYSA-N 311.279 -0.026 5 10 DBBE COC(=O)[C@@H]1CN(C)C(=O)CN1CCn1ccc([N+](=O)[O-])n1 1656388317 KAKXIQGOMCFUQM-VIFPVBQESA-N 311.298 -0.893 5 10 DBBE O=C(c1nccc(N2CCOCC2)n1)N1CCN=C1C[N+](=O)[O-] 1851974877 TUFJNXISLQSEFF-UHFFFAOYSA-N 320.309 -0.556 5 10 DBBE N=C(N)NCCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1N 1866119770 PXMNPYWKVWYXDC-VIFPVBQESA-N 309.330 -0.294 5 10 DBBE Cc1ccc(=NCCNC(=O)c2cnc([N+](=O)[O-])n2C)[nH]n1 1889791635 ZMYJAVANKWGHOX-UHFFFAOYSA-N 305.298 -0.309 5 10 DBBE Cn1c(C(=O)N2CCC(N3CCNC3=O)CC2)cnc1[N+](=O)[O-] 1890602232 JOIJXCWWBSGSSG-UHFFFAOYSA-N 322.325 -0.042 5 10 DBBE CCN=c1ccc([N+](=O)[O-])c(N2CC(S(N)(=O)=O)C2)[nH]1 1914970284 YLHFTDQNGMJIMP-UHFFFAOYSA-N 301.328 -0.679 5 10 DBBE O=[N+]([O-])c1ccc(NCC(O)(CO)CO)c2nsnc12 2155872717 YRZSQTXYGMBWTB-UHFFFAOYSA-N 300.296 -0.273 5 10 DBBE O=[N+]([O-])c1ccc(O[C@@H]2CS(=O)(=O)C[C@@H]2O)c(CO)c1 37693304 DBWYVWCIVKSULT-GXSJLCMTSA-N 303.292 -0.376 5 10 DBBE O=C(O)[C@H](CCO)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 40700003 BTQDGUCUEVRNEF-ZETCQYMHSA-N 322.270 -0.152 5 10 DBBE CO[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 70302403 SRAGRHRZLINXBJ-IUCAKERBSA-N 302.312 -0.745 5 10 DBBE COC[C@@H](CCO)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 228260280 FAQROJYKENSASZ-MRVPVSSYSA-N 305.312 -0.335 5 10 DBBE CCCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O 283496552 KAUGHMUCJWXLEM-MRVPVSSYSA-N 323.309 -0.062 5 10 DBBE CC(=O)N1CCN(C(=O)CCN=c2cc[nH]cc2[N+](=O)[O-])CC1 341096522 HIPIOHZAXUPYTC-UHFFFAOYSA-N 321.337 -0.096 5 10 DBBE O=[N+]([O-])c1cccc(CS(=O)(=O)NCCn2ncnn2)c1 443784731 WPCNPTHJTFICLZ-UHFFFAOYSA-N 312.311 -0.299 5 10 DBBE NC[C@@]1(CO)COCCN1C(=O)c1csc([N+](=O)[O-])c1 694645418 CMAUMCLMVGODAC-LLVKDONJSA-N 301.324 -0.182 5 10 DBBE COC(=O)[C@H](CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 725375274 UJXYPHAWEWGDTO-VIFPVBQESA-N 303.296 -0.627 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@H]1N 1118866168 WTQOHTKHJSGBSN-JGVFFNPUSA-N 303.344 -0.314 5 10 DBBE CCN(CCNC(=O)c1c[nH]nc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1296350257 KDHXZDCFIQYTEO-MWLCHTKSSA-N 309.326 -0.038 5 10 DBBE COC(=O)[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 1319475786 ZKMIXBPZQRCRIK-VIFPVBQESA-N 309.278 -0.222 5 10 DBBE Cc1ncc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 1358652551 BYMKECFDZURUFA-PSASIEDQSA-N 307.310 -0.238 5 10 DBBE CCn1nc(C)c(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1522900814 BDVKSCBHSYZILX-NXEZZACHSA-N 324.341 -0.492 5 10 DBBE Cc1nc(C)n(CCNCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1567493753 GIXHWRUUTVUOKW-VXGBXAGGSA-N 310.358 -0.392 5 10 DBBE Cc1nc[nH]c1CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721852826 WBINAVWIDWDRER-RXUHEVMZSA-N 321.337 -0.286 5 10 DBBE CCOC(=O)[C@H](O)Cn1nc([N+](=O)[O-])nc1Br 1940165845 OGCRMSPMCGRXDB-SCSAIBSYSA-N 309.076 -0.127 5 10 DBBE CN1[C@@H](CNc2cc([N+](=O)[O-])cc(=N)[nH]2)CCS1(=O)=O 2145346575 NCEZPZLAKYZIQI-SSDOTTSWSA-N 301.328 -0.152 5 10 DBBE C[C@](N)(CO)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 2181129357 NCDWYPGHPFMHAU-SNVBAGLBSA-N 307.303 -0.278 5 10 DBBE CCCc1ncc([N+](=O)[O-])c(=NC[C@@H](C)S(N)(=O)=O)[nH]1 2286670207 RIPMVBZNQYBQSW-SSDOTTSWSA-N 303.344 -0.152 5 10 DBBE COc1ccc(C(=O)NC(CO)(CO)CO)cc1[N+](=O)[O-] 27118210 PFNAGALXVNVZES-UHFFFAOYSA-N 300.267 -0.951 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1)c1nn[nH]n1 132204274 POBBGDUNLBDODL-YFKPBYRVSA-N 313.299 -0.270 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](N)C(=O)O 323370340 FGZKZAGXIDLNMW-MRVPVSSYSA-N 303.296 -0.407 5 10 DBBE CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H]1CC(=O)NC1=O 427453913 UJXXIRYGYYLKMF-SSDOTTSWSA-N 309.282 -0.312 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](c2nn[nH]n2)C1 538224440 CLPRZMZTMFWIKL-MRVPVSSYSA-N 306.286 -0.289 5 10 DBBE CS(=O)(=O)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1N 722458785 NJJNYTVXWRFMKJ-UHFFFAOYSA-N 308.337 -0.005 5 10 DBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@H]2CCO)c1 762337527 HRKWVGOWYDTJSX-ZYHUDNBSSA-N 300.315 -0.765 5 10 DBBE O=C(NCC(=O)N1CCCO1)c1[nH]nc([N+](=O)[O-])c1Cl 1469455215 YYHOKPFCDUIWGQ-UHFFFAOYSA-N 303.662 -0.135 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1473724739 WWSVERZBJWDQHR-AOOOYVTPSA-N 307.310 -0.354 5 10 DBBE CN(C(=O)CN1C[C@@H](CO)[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 1618438609 MKMDGEWWNNKAHJ-GWCFXTLKSA-N 309.322 -0.157 5 10 DBBE CCn1nnc(C)c1C(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737726470 VOFWNVLFDDLVJT-NXEZZACHSA-N 324.341 -0.540 5 10 DBBE C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCO 1872627839 JRCJIDVAOSCBAO-MRVPVSSYSA-N 317.323 -0.630 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(N)COC1 2151412144 WOWUKXCRQYCEHD-UHFFFAOYSA-N 301.324 -0.091 5 10 DBBE CON(C1CNC1)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2169266121 WKCHNILMHWRVSK-UHFFFAOYSA-N 303.296 -0.176 5 10 DBBE COc1ccc([N+](=O)[O-])c(O[C@@H]2CS(=O)(=O)C[C@H]2N)n1 2177954065 TXYUUDFYSYAQNJ-HTRCEHHLSA-N 303.296 -0.499 5 10 DBBE C[C@](N)(CO)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 2181129750 PEYVWVMFXMPTBN-SNVBAGLBSA-N 307.303 -0.278 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@H]1N=c1c(Cl)c[nH]cc1[N+](=O)[O-] 2192681552 VMOANSOZRWQGRA-APPZFPTMSA-N 320.758 -0.138 5 10 DBBE N[C@@H](C(=O)Nc1ncccc1[N+](=O)[O-])C1CS(=O)(=O)C1 2202434502 RUQVXFJUTBDKIV-MRVPVSSYSA-N 300.296 -0.700 5 10 DBBE C[C@](O)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131249863 PGCRMYUPIRRNJE-SNVBAGLBSA-N 308.287 -0.245 5 10 DBBE CN(C(CO)CO)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 313460885 DGNQTFIIBXVZNU-UHFFFAOYSA-N 306.296 -0.726 5 10 DBBE COC[C@@H](C(N)=O)N(C)C(=O)COc1cccc([N+](=O)[O-])c1 354565601 HQBGWGSOKGEDNX-NSHDSACASA-N 311.294 -0.068 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H](O)[C@@H]1CCCO1 599392084 PWJSLEJKLINMCC-ZJUUUORDSA-N 317.323 -0.192 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncnc(F)c1[N+](=O)[O-] 701521891 NUWIEPKIRKAAOV-NTSWFWBYSA-N 306.275 -0.252 5 10 DBBE COC1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 1146680229 ZSCTUAMOFRROIM-UHFFFAOYSA-N 315.307 -0.287 5 10 DBBE CN(C)C(=O)CN1CCCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 1176165916 AVJCPKRHKHOBJT-UHFFFAOYSA-N 324.385 -0.076 5 10 DBBE COC(=O)CSCCNC(=O)c1nn(C)cc1[N+](=O)[O-] 1319896502 QLRFZRDNBXZBPP-UHFFFAOYSA-N 302.312 -0.036 5 10 DBBE COC(=O)N[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 1460749635 UJRWBCUVCSUVSI-ONGXEEELSA-N 313.314 -0.418 5 10 DBBE CN(CCS(C)(=O)=O)C(=O)c1cnc(N)c([N+](=O)[O-])c1 1464773972 NCNBYBZBCMGQDB-UHFFFAOYSA-N 302.312 -0.311 5 10 DBBE COC(=O)[C@](C)(CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 1468886719 VACKUZDZCHQGLC-NSHDSACASA-N 300.271 -0.778 5 10 DBBE Cc1nn(C)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 1638137827 NZHSCLAJUYHBFB-SSDOTTSWSA-N 302.312 -0.446 5 10 DBBE NS(=O)(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])c(F)c2)C1 1914980022 MOUKAFFUOCMPLY-UHFFFAOYSA-N 303.271 -0.153 5 10 DBBE NC(=O)C1(N)CN(c2ncc([N+](=O)[O-])cc2Br)C1 2047097297 NPSZXOZYXZJGCL-UHFFFAOYSA-N 316.115 -0.245 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 2152941712 SQSVELYRSQLFQM-LURJTMIESA-N 303.296 -0.293 5 10 DBBE NCC1(O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 2154726878 SJIHQHABUBPPNE-UHFFFAOYSA-N 305.287 -0.572 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@@H](O)C(=O)O 2176843538 SDQGSBQNCDFBHQ-YLWLKBPMSA-N 305.268 -0.898 5 10 DBBE N[C@H]1CS(=O)(=O)C[C@@H]1Oc1nc2sccn2c1[N+](=O)[O-] 2177957650 AWPUMVQYLRHBOG-WDSKDSINSA-N 318.336 -0.193 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CNCC[C@@H]1O 2183272905 WSUBAQTUYZGGNB-SCZZXKLOSA-N 301.324 -0.404 5 10 DBBE O=C(O)c1cc(S(=O)(=O)N2CC([N+](=O)[O-])C2)ccc1O 2191537172 XPANSFZHYXQLFL-UHFFFAOYSA-N 302.264 -0.260 5 10 DBBE O=C(O)[C@@H](Nc1ncncc1[N+](=O)[O-])C1CS(=O)(=O)C1 2235285611 LLWVDLOZHXQMKZ-ZETCQYMHSA-N 302.268 -0.706 5 10 DBBE CN=c1nc(OCCCS(C)(=O)=O)c([N+](=O)[O-])c(C)[nH]1 2295792712 XSWDDTYPFPGVOH-UHFFFAOYSA-N 304.328 -0.030 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1)C(N)=O 131300138 BRVQSTYGTZEVFJ-YFKPBYRVSA-N 303.300 -0.968 5 10 DBBE CNc1cc(S(=O)(=O)Nc2nnn(C)n2)ccc1[N+](=O)[O-] 132953695 NJDWJHBCSSBTAC-UHFFFAOYSA-N 313.299 -0.039 5 10 DBBE Cn1cc([C@@H]2CNCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)cn1 181411581 JJWVZTASWYFQGK-NSHDSACASA-N 319.325 -0.302 5 10 DBBE CCC[C@@]1(C)C(=O)NCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 438626893 LBBUPEXGWNZXQX-LBPRGKRZSA-N 310.314 -0.297 5 10 DBBE O=C(NCCC1CS(=O)(=O)C1)c1cc([N+](=O)[O-])cnc1O 615932867 SOPCIHGBWLJMFT-UHFFFAOYSA-N 315.307 -0.140 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@H]2CCNC2=O)cc1[N+](=O)[O-] 693960484 RRDYPFPBYBRHKH-QMMMGPOBSA-N 300.296 -0.656 5 10 DBBE C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1N)S(C)(=O)=O 697588008 MANVRAHXEDXOSS-ZCFIWIBFSA-N 302.312 -0.265 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CNC[C@H]2O)cc1 699919560 UEHISYLOWGSJBG-GHMZBOCLSA-N 301.324 -0.653 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2CO)c1 704636089 TUTFNYYLQZJBTP-UWVGGRQHSA-N 302.308 -0.289 5 10 DBBE N[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 725374096 HJMPVZBPULGHOM-BDAKNGLRSA-N 301.324 -0.011 5 10 DBBE Cc1cnc(N(C)CCNC(=O)Cn2ncnn2)c([N+](=O)[O-])c1 1263680593 HXBXWLMRISKCAX-UHFFFAOYSA-N 320.313 -0.463 5 10 DBBE COCCC(=O)N1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1339903176 RUUBPZBQDOAPDZ-GHMZBOCLSA-N 311.338 -0.251 5 10 DBBE CCN1CCN(C2CN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 1559288058 NZXRKLQLKHFWMZ-UHFFFAOYSA-N 307.358 -0.207 5 10 DBBE O=C1N[C@@H](C2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CO1 1585596665 MBVYEXCGFHXFTC-SECBINFHSA-N 324.297 -0.467 5 10 DBBE Cc1[nH]nc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)c1[N+](=O)[O-] 1588101889 RCZDIJJQTYXFON-GZMMTYOYSA-N 323.309 -0.254 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC(N2CCOCC2)C1 1639774583 HDSKBOPURSSAGH-UHFFFAOYSA-N 310.314 -0.834 5 10 DBBE COC1(OC)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1O 1639790072 CRIJDFHSUVRORV-MRVPVSSYSA-N 300.271 -0.486 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(CO)COCCN1 1642785008 WHEMWYNYZDUJNX-AWEZNQCLSA-N 309.322 -0.016 5 10 DBBE O=C(Cc1cncs1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703363862 ANAMNPMBTQYRHR-NXEZZACHSA-N 312.351 -0.027 5 10 DBBE CCCn1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 1703364537 XRAAGTAZJAYRLM-MWLCHTKSSA-N 324.341 -0.411 5 10 DBBE O=C(NCC1(NCC(=O)N2CCC2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1715299465 CRYOFZLGOSKHLI-VXGBXAGGSA-N 324.381 -0.098 5 10 DBBE COc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN2CCN1CC2 1851797871 KONFMVQOONJIJW-NSHDSACASA-N 321.337 -0.272 5 10 DBBE CS(=O)(=O)Nc1ccc(CC(=O)NCCO)cc1[N+](=O)[O-] 1859279524 UOCWSEBFPFDDRP-UHFFFAOYSA-N 317.323 -0.383 5 10 DBBE C[C@@]1(O)CON(S(=O)(=O)c2ccc([N+](=O)[O-])cc2N)C1 2149796303 CFLWURNYHPRSHN-JTQLQIEISA-N 303.296 -0.136 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1COC[C@@H]1N 2149988310 NJUBGIYHPQRDGG-DTWKUNHWSA-N 301.324 -0.092 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2CC[C@H]3CS(=O)(=O)C[C@@H]32)n1 2196038607 UJCKFEYUTUFKGW-KWQFWETISA-N 300.340 -0.053 5 10 DBBE O=[N+]([O-])c1c(N2CC[C@@](O)(CO)[C@@H](O)C2)ccnc1Cl 2234099994 IBEHHGCWPSQITD-GZMMTYOYSA-N 303.702 -0.062 5 10 DBBE CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C(N)=O 50656739 PCKXVOPJYKEWII-ZCFIWIBFSA-N 302.312 -0.211 5 10 DBBE C[C@H](O)[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)O 157107148 ZMAODXLYPIQMEM-XNCJUZBTSA-N 322.270 -0.154 5 10 DBBE N[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)O 323497424 CCRLHUXKRXWLRV-ZCFIWIBFSA-N 323.714 -0.062 5 10 DBBE C[C@H](Cn1cncn1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 354407312 RPRREQWNKNCHOK-SECBINFHSA-N 306.282 -0.447 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[C@H](O)C2)n1 599287379 CSMACSFNQAIZEJ-YUMQZZPRSA-N 304.328 -0.232 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)OCCN1CCOCC1=O 785299126 FSWUIWVPWYTLAF-UHFFFAOYSA-N 312.282 -0.417 5 10 DBBE CN1C[C@@]2(C)CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@]2(C)C1 913288031 ANENEJZQXZIVFQ-BETUJISGSA-N 308.342 -0.014 5 10 DBBE CCN(CCNC(=O)c1cnn[nH]1)Cc1c([N+](=O)[O-])ncn1C 1267245451 LBLOGPPTKDSJBQ-UHFFFAOYSA-N 322.329 -0.302 5 10 DBBE Cc1nc(N2CCN(CCN(C)C)C(=O)C2)ncc1[N+](=O)[O-] 1349546192 VWNIQWVJAQGMNM-UHFFFAOYSA-N 308.342 -0.097 5 10 DBBE CNC(=O)C1(NCCn2c([N+](=O)[O-])cnc2C)CCOCC1 1473801019 FRYGSDDFENEODG-UHFFFAOYSA-N 311.342 -0.015 5 10 DBBE Cn1ccc(CCC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1522628596 SAXQTIVLWRPKMW-GHMZBOCLSA-N 309.326 -0.750 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)CN1CCOCC1 1541035660 DBFCGUDZVFLTTN-JTQLQIEISA-N 311.342 -0.063 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC(NC2COC2)C1 1639675317 LRYSCFSIISTWEK-CYBMUJFWSA-N 307.306 -0.173 5 10 DBBE CCN1C(=O)[C@H]2CN(Cc3cn(C)nc3[N+](=O)[O-])CCN2C1=O 1652670000 WCWSHXPAKUHANE-SNVBAGLBSA-N 322.325 -0.203 5 10 DBBE NCCN(CCN)S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2152186491 JNWADOSLTFKYIZ-UHFFFAOYSA-N 306.319 -0.358 5 10 DBBE NC(=O)C1(NS(=O)(=O)c2c(N)cccc2[N+](=O)[O-])CC1 2159812536 IJXQCVGUPPNFAX-UHFFFAOYSA-N 300.296 -0.527 5 10 DBBE CO[C@H]1CNC[C@H]1S(=O)(=O)Nc1ccc([N+](=O)[O-])cn1 2202439857 PCNMVKSCUQCLGH-DTWKUNHWSA-N 302.312 -0.282 5 10 DBBE CS(=O)(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])cs1)C(=O)O 2360570827 AEHUWQAVSILCOD-LURJTMIESA-N 322.320 -0.116 5 10 DBBE Nc1sc(S(=O)(=O)N2CC([C@@H](O)CO)C2)cc1[N+](=O)[O-] 2362001804 SJJAFYPSOSMYMZ-ZETCQYMHSA-N 323.352 -0.788 5 10 DBBE CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])o2)C(C(N)=O)=C(N)O1 58949543 DLLQHLFFNQINTQ-QMMMGPOBSA-N 308.250 -0.284 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOC[C@H]1CO 168915293 PIITWYCZCOKKJZ-SECBINFHSA-N 317.323 -0.441 5 10 DBBE Nc1nccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] 568900696 WPIPFHRZSRUCAF-CYBMUJFWSA-N 305.294 -0.076 5 10 DBBE Cc1c(CC(=O)N2C[C@H](O)C[C@H]2C(N)=O)cccc1[N+](=O)[O-] 600241913 OJNSNKPVZQSMHV-PWSUYJOCSA-N 307.306 -0.107 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H](O)CO 698920964 ULHYJIWUJLLPQV-RCOVLWMOSA-N 308.287 -0.246 5 10 DBBE C[C@@H](CN(C)S(C)(=O)=O)OC(=O)Cn1cc([N+](=O)[O-])cn1 786607061 APBWXBRZWZYIBG-QMMMGPOBSA-N 320.327 -0.386 5 10 DBBE CC(C)(CCC(=O)N[C@@H]1CCCN(CC(N)=O)C1)[N+](=O)[O-] 1136672628 TVVJPUGWSOVVCP-SNVBAGLBSA-N 300.359 -0.112 5 10 DBBE CCOC(=O)c1ccnc(N2C[C@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] 1163472136 FHJRHBWJBCJPEP-SCZZXKLOSA-N 311.294 -0.044 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)n1 1468247311 PJWLCLZEQNMPRZ-KNVOCYPGSA-N 307.266 -0.844 5 10 DBBE O=C(CN1CCCCC(=O)C1=O)NCCn1cc([N+](=O)[O-])cn1 1518015492 ZPFFMDGLOYLYDP-UHFFFAOYSA-N 323.309 -0.511 5 10 DBBE NC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C(N)=O 1620418167 NIIBNKAPBQBXBI-NXEZZACHSA-N 310.285 -0.248 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(CCCO)C1 1624410836 QAGFYZDQPKPBPX-JTQLQIEISA-N 311.342 -0.095 5 10 DBBE Cn1cc(CN2C(=O)NC3(CCOCC3)C2=O)c([N+](=O)[O-])n1 1643690685 GZBOWLLXTUYTOD-UHFFFAOYSA-N 309.282 -0.071 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc[n+]([O-])cc1 1720480552 SXXOZAALJXIOLU-VXGBXAGGSA-N 322.321 -0.437 5 10 DBBE CCN(CCNC(=O)Cc1ncc[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721165797 BLAUNUREBDZYIG-NXEZZACHSA-N 309.326 -0.418 5 10 DBBE Cc1cc(CCC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 1745929665 AWIQIUBKXWCXBQ-VXGBXAGGSA-N 322.321 -0.092 5 10 DBBE CS(=O)(=O)c1cccc(N[C@H](CO)C(=O)O)c1[N+](=O)[O-] 2175205559 IPFJFHUOPGOJHX-SSDOTTSWSA-N 304.280 -0.144 5 10 DBBE O=C1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)CCN1 2186332734 PFQTZJFDBLOPTD-SSDOTTSWSA-N 300.296 -0.453 5 10 DBBE NCC(CO)(CO)N=c1c(Br)c[nH]cc1[N+](=O)[O-] 2254570432 XTQNQFKZMOHWKR-UHFFFAOYSA-N 321.131 -0.732 5 10 DBBE COC[C@@H](O)CN(C)S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50677975 XZEQQLDLQVACTL-VIFPVBQESA-N 319.339 -0.195 5 10 DBBE CN1CCN(S(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1=O 84205414 XXYLEFMQAZZOKZ-UHFFFAOYSA-N 314.323 -0.360 5 10 DBBE CO[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)O 263059906 HLOWKIRVIPTNTE-QMMMGPOBSA-N 300.271 -0.258 5 10 DBBE COc1cc(C(=O)N2CC[C@@](O)(C(N)=O)C2)cc([N+](=O)[O-])c1C 286385502 CLUSBRLPHJAYMS-AWEZNQCLSA-N 323.305 -0.026 5 10 DBBE O=c1[nH]nc(CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])[nH]1 301556759 IUNUZQUDMFMHHG-UHFFFAOYSA-N 303.238 -0.374 5 10 DBBE NC(=O)[C@]1(O)CCN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1 348208486 HYWNKLFHJGQVKQ-ZDUSSCGKSA-N 305.294 -0.107 5 10 DBBE CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H]1CC(=O)NC1=O 427453914 UJXXIRYGYYLKMF-ZETCQYMHSA-N 309.282 -0.312 5 10 DBBE NC(=O)C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCO1 599186962 MCQGXJNGXUHKJB-MRVPVSSYSA-N 306.282 -0.282 5 10 DBBE COC[C@@H](CCO)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599265934 MDQNJIFCMLOXCK-SSDOTTSWSA-N 308.316 -0.996 5 10 DBBE CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC(O)(CO)C1 848713596 LCXJGGVNMJVXMX-UHFFFAOYSA-N 302.308 -0.458 5 10 DBBE O=[N+]([O-])c1cnc(Cl)nc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O 1157276007 FYYXXZSYYITNPA-APOSLCTFSA-N 304.690 -0.447 5 10 DBBE CC(C)N(C)C(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1277054174 CGETVHCQOYXWNE-GHMZBOCLSA-N 312.370 -0.243 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](CN2CCOCC2)C1 1318701344 ISOMDRYBMDLCCK-LLVKDONJSA-N 324.341 -0.633 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)[C@H]2CCOC2)n1 1319937108 DUWBLRAVENBFAT-LURJTMIESA-N 304.284 -0.823 5 10 DBBE CCn1nncc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1357793673 OWYPFPFXDZOHQT-HWKXXFMVSA-N 322.325 -0.635 5 10 DBBE O=C(NC1(CCO)CN(Cc2cccnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1485405870 SUDAQCFGLRSTHT-CHWSQXEVSA-N 320.349 -0.200 5 10 DBBE CN(CCCNC(=O)CN1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1523413047 ISLMYPNMJOALKF-VXGBXAGGSA-N 312.370 -0.288 5 10 DBBE CC(=O)N1CCN(C(=O)CCNc2c([N+](=O)[O-])cnn2C)CC1 1611947676 OJNHADMGBZBJHU-UHFFFAOYSA-N 324.341 -0.179 5 10 DBBE O=C(Cc1cnoc1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1702507946 HIPUPZHKOBCPNS-SASUGWTJSA-N 322.321 -0.107 5 10 DBBE Cn1ccnc1CN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1717504008 SPTCEUTVGUEFES-GHMZBOCLSA-N 323.353 -0.862 5 10 DBBE NCCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1859459851 ZMFIZDMZCDQFRG-UHFFFAOYSA-N 306.278 -0.344 5 10 DBBE CC[C@H](CS(C)(=O)=O)N=c1[nH]c(=NC)[nH]cc1[N+](=O)[O-] 2146288325 KNXLLJOYLOVECX-SSDOTTSWSA-N 303.344 -0.495 5 10 DBBE O=[N+]([O-])c1c(N2CC[C@](O)(CO)[C@H](O)C2)ccnc1Cl 2234099995 IBEHHGCWPSQITD-KCJUWKMLSA-N 303.702 -0.062 5 10 DBBE Cc1cc(S(=O)(=O)NCCNC(N)=O)cc([N+](=O)[O-])c1F 160829319 WWTQNIIYTBTUNV-UHFFFAOYSA-N 320.302 -0.011 5 10 DBBE CNC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 281419932 ZYDBSYKSFZBLKY-JTQLQIEISA-N 309.278 -0.113 5 10 DBBE O=C(O)c1c(CN2CCNS2(=O)=O)cccc1[N+](=O)[O-] 308379804 KGYCMNOEARNNAO-UHFFFAOYSA-N 301.280 -0.057 5 10 DBBE COC(=O)CN(CC(=O)OC)C(=O)c1nn(C)cc1[N+](=O)[O-] 345446768 FPQGTNHDTJJVMD-UHFFFAOYSA-N 314.254 -0.884 5 10 DBBE CN(Cc1nnnn1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 352880227 AIEWFSHDFDRFBX-UHFFFAOYSA-N 312.311 -0.061 5 10 DBBE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 598009092 PVRSDCNVGDBFOJ-GXSJLCMTSA-N 312.282 -0.372 5 10 DBBE C[C@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CN1 599105754 QBGOFADZQPBFQB-JGVFFNPUSA-N 303.344 -0.253 5 10 DBBE CCN(CC(=O)NC)S(=O)(=O)c1ncccc1[N+](=O)[O-] 849370484 CSPGIATUKRDGRJ-UHFFFAOYSA-N 302.312 -0.254 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(CCO)C[C@H]1C 1142103129 AFAOQNPMFHWHSK-SNVBAGLBSA-N 311.342 -0.375 5 10 DBBE Cc1nn(C)c(N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1[N+](=O)[O-] 1307221693 DBVQAMOUKYPCNI-APPZFPTMSA-N 317.371 -0.002 5 10 DBBE C[C@]12CN(CCn3cc([N+](=O)[O-])cn3)C[C@]1(C)C(=O)NC2=O 1460599417 BUFMEEBQNLZOLJ-CHWSQXEVSA-N 307.310 -0.224 5 10 DBBE CCCN1C[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1=O 1525886696 FVCPHTAUUCAXKP-SECBINFHSA-N 310.314 -0.439 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN[C@H]1C(=O)NCC12CCOCC2 1620616787 KTHZPOISYORRNE-LBPRGKRZSA-N 323.353 -0.015 5 10 DBBE CNC(=O)CN(CC(=O)NC)C(=O)c1cc([N+](=O)[O-])cnc1C 1637369716 LLFLKQRFNPELTD-UHFFFAOYSA-N 323.309 -0.768 5 10 DBBE NC(=O)[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C(N)=O 1643814467 LNKCLIWNXXIMEY-UWVGGRQHSA-N 310.285 -0.248 5 10 DBBE COc1nn(C)cc1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1653506189 CTEXAIBJCPLSLS-UHFFFAOYSA-N 321.293 -0.185 5 10 DBBE COC1(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 1759190015 WLPQSGPWQOPJNV-GHMZBOCLSA-N 311.338 -0.062 5 10 DBBE NCCN(CCO)S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 2152161460 IMVACVIDHQKMIX-UHFFFAOYSA-N 307.303 -0.324 5 10 DBBE NCCN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2152162590 PEAZQXMPNAIELE-UHFFFAOYSA-N 307.303 -0.324 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)c1cc([N+](=O)[O-])cnc1O 2152956855 HAWADEKMKYAVGX-YFKPBYRVSA-N 304.284 -0.898 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(CO)CO 2179742309 HDVSTFQJXYOSSF-UHFFFAOYSA-N 304.324 -0.218 5 10 DBBE C[C@@](N)(CO)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 2181129058 KNJVKCXXBDQNJZ-JTQLQIEISA-N 307.303 -0.278 5 10 DBBE CO[C@H]1CNC[C@@H]1S(=O)(=O)Nc1ccc([N+](=O)[O-])cn1 2202439858 PCNMVKSCUQCLGH-IUCAKERBSA-N 302.312 -0.282 5 10 DBBE N[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccn2)CCS(=O)(=O)C1 2202441867 OPYPGPYJXFQVRN-SNVBAGLBSA-N 300.296 -0.556 5 10 DBBE N[C@H](C(=O)Nc1cc([N+](=O)[O-])ccn1)C1CS(=O)(=O)C1 2202446881 MLBRZOZOJZKOFV-VIFPVBQESA-N 300.296 -0.700 5 10 DBBE C[C@@H](CO)N(C)S(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 122571483 ZVJULJHYZWJTEP-ZETCQYMHSA-N 304.328 -0.118 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@]2(O)CCOC2)cn1 227189980 UQIPPSSFBLDKNZ-SNVBAGLBSA-N 303.296 -0.581 5 10 DBBE CN1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1=O 593547978 JZEXDNJPSBZFMQ-MRVPVSSYSA-N 314.323 -0.111 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3NCC[C@H]3C2)n1 599108604 OREZKVWXWABPDI-IUCAKERBSA-N 315.355 -0.299 5 10 DBBE O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CNC[C@H]1O 699966580 IDZPGPWWUHNCOD-VXNVDRBHSA-N 321.742 -0.141 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)C[C@@H](C)OC)n1 764194925 IDGQYEXVYXSEFB-SSDOTTSWSA-N 320.327 -0.094 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)N2CC(=O)NCC23COC3)c1 1133366288 XTFBPLYLLDVWKH-UHFFFAOYSA-N 321.289 -0.056 5 10 DBBE C[C@]1(CO)C[C@H](O)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1453742836 IFSFUMXOVXRFLJ-OUCADQQQSA-N 310.306 -0.028 5 10 DBBE Cc1cc(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 1522866103 YNLPYXIDMGRBRJ-GHMZBOCLSA-N 310.310 -0.187 5 10 DBBE COC(=O)[C@@]1(O)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 1558104282 MKIDIFIOVAOULL-GFCCVEGCSA-N 312.282 -0.682 5 10 DBBE C[C@H]1[C@@H](C)N(C(=O)c2nn(C)cc2[N+](=O)[O-])CCS1(=O)=O 1586520782 JCMKDYDQOYNMDD-SFYZADRCSA-N 316.339 -0.024 5 10 DBBE COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cn1c([N+](=O)[O-])cnc1C 1632511312 GILICDNEHYJJIP-RKDXNWHRSA-N 312.282 -0.765 5 10 DBBE C[S@@](=O)(=NC(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCNC1 2159071248 ROGRRRRAVLBABS-SQFXPLBJSA-N 301.328 -0.222 5 10 DBBE Nc1ccc(=NCCNS(=O)(=O)C(F)F)[nH]c1[N+](=O)[O-] 2159558239 LAFGXLLRXLRCCG-UHFFFAOYSA-N 311.270 -0.452 5 10 DBBE CCn1cc([N+](=O)[O-])c(=O)n(Cc2nnc(NC)s2)c1=O 157077308 YDUBIBCTFGQYKT-UHFFFAOYSA-N 312.311 -0.120 5 10 DBBE O=C1CC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCN1 594783847 LLSBECQYKPWSEF-MRVPVSSYSA-N 314.323 -0.063 5 10 DBBE CCN(CC)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599203200 JUQIQDHFEBTQOI-UHFFFAOYSA-N 305.360 -0.052 5 10 DBBE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](CO)O1 599287749 FNCCVUWQXPHHMF-HTQZYQBOSA-N 320.327 -0.901 5 10 DBBE CN(CCCS(C)(=O)=O)c1nc(NN)ncc1[N+](=O)[O-] 694211483 ZZVGHAQQURGABW-UHFFFAOYSA-N 304.332 -0.459 5 10 DBBE O=C(Cc1nc[nH]n1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1290798080 VQSYSASWRXVKNF-UHFFFAOYSA-N 317.309 -0.001 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N=S1(=O)CCOCC1 1463274308 ZHUIUCIHSAUDRA-UHFFFAOYSA-N 315.307 -0.219 5 10 DBBE Cn1cncc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1747214287 IPHZBYJJZLTTCU-JAFKPYBISA-N 307.310 -0.513 5 10 DBBE C[C@](N)(CO)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 2181126830 KNDWUKWOQSJVFJ-SNVBAGLBSA-N 304.328 -0.636 5 10 DBBE Cc1c([N+](=O)[O-])ccnc1CS(=O)(=O)C[C@H](N)C(=O)O 2195334517 VEHAVQBEMVTPMR-ZETCQYMHSA-N 303.296 -0.375 5 10 DBBE Cc1nc(N2C[C@H](O)[C@H](O)[C@@H]2CO)c(Cl)cc1[N+](=O)[O-] 2200861644 UHOANJHVOQBGAO-LPEHRKFASA-N 303.702 -0.146 5 10 DBBE NCC1(Oc2cc(N)c([N+](=O)[O-])cc2F)CS(=O)(=O)C1 2283073707 IIWJELAPUDCDKX-UHFFFAOYSA-N 305.287 -0.179 5 10 DBBE C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN)C(N)=O 35796767 CGXHMBHQSZLSDJ-YFKPBYRVSA-N 303.300 -0.968 5 10 DBBE Nc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cn1 236367795 IUFBLGRKPAEDNW-LURJTMIESA-N 300.296 -0.511 5 10 DBBE O=C1CC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCN1 594784120 LLSBECQYKPWSEF-QMMMGPOBSA-N 314.323 -0.063 5 10 DBBE NNc1ccc([N+](=O)[O-])c(NCC2(S(N)(=O)=O)CC2)n1 713963682 KAADYOZCTGXJLT-UHFFFAOYSA-N 302.316 -0.492 5 10 DBBE CC[S@](=O)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 768523617 JVGBREBKPMZIHA-FQEVSTJZSA-N 303.344 -0.141 5 10 DBBE Cn1cnc([N+](=O)[O-])c1CNCCN(CCO)C(=O)C1CC1 1272090891 JULLTPBPFCZENZ-UHFFFAOYSA-N 311.342 -0.351 5 10 DBBE CC(C)N(C)CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1293307287 QDPGRHOEZOMGCR-GHMZBOCLSA-N 300.359 -0.386 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1N1CC(NS(N)(=O)=O)C1 1458541658 ZTBUDZWNDKBRBY-UHFFFAOYSA-N 304.332 -0.899 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1[C@H](CO)CC[C@H]1CO 1557225994 CUHHWGMTIQGBJZ-QWRGUYRKSA-N 311.294 -0.899 5 10 DBBE O=C(CNC(=O)c1c[nH]nc1[N+](=O)[O-])NCCN1CCCCC1 1627553418 VMGBVEHEGBTRCB-UHFFFAOYSA-N 324.341 -0.350 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCOC[C@@H]1CC(N)=O 1638227850 PWKMPYBEFUWQKJ-VIFPVBQESA-N 311.298 -0.797 5 10 DBBE Cc1nn(C)c(C(=O)N[C@H](CO)c2cncn2C)c1[N+](=O)[O-] 1638919817 KJQYWLQQKWZOJP-MRVPVSSYSA-N 308.298 -0.166 5 10 DBBE CN1C(=O)NCC12CCN(C(=O)c1c([N+](=O)[O-])cnn1C)CC2 1639683392 OAWDHOKJOYZORY-UHFFFAOYSA-N 322.325 -0.042 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(O)(c2ncnn2C)C1 1644618938 NTPAIKRJKWCRQJ-UHFFFAOYSA-N 306.282 -0.595 5 10 DBBE CNC(=O)NC[C@@H]1COCCN1Cc1cn(C)nc1[N+](=O)[O-] 1655406331 JTEAKRUXCJUWAN-SNVBAGLBSA-N 312.330 -0.542 5 10 DBBE CS(=O)(=O)c1ccc(N2CC(CO)(CO)C2)c([N+](=O)[O-])c1 1655850256 JBMJORSTNUFEMQ-UHFFFAOYSA-N 316.335 -0.211 5 10 DBBE C[C@H](O)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 1658965293 JTBZJJRQMZHXGO-ZMLRMANQSA-N 300.315 -0.766 5 10 DBBE CN(CCNC(=O)Cc1ccn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704203308 OSKSNUUEYPVUGW-GHMZBOCLSA-N 309.326 -0.798 5 10 DBBE O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ncccc1O 1747181032 IKMWXASYDAKUSO-UFLMBTITSA-N 320.305 -0.145 5 10 DBBE COCC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c(=O)n(C)c1 1890902163 KXXLNIBKNONIGM-CYBMUJFWSA-N 313.310 -0.189 5 10 DBBE Nc1sc(S(=O)(=O)N2C[C@H](F)[C@H](O)C2)cc1[N+](=O)[O-] 2092827817 AABVLLSUILFACZ-UJURSFKZSA-N 311.316 -0.058 5 10 DBBE N[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2148815662 HKEBLCASRFYJAY-IUCAKERBSA-N 302.312 -0.616 5 10 DBBE COC(=O)C1(N)CC(N=c2[nH]c(Cl)ncc2[N+](=O)[O-])C1 2162365344 GSLIGEDLEAKDFO-UHFFFAOYSA-N 301.690 -0.095 5 10 DBBE CS(=O)(=O)c1cccc(O[C@H](CN)C(N)=O)c1[N+](=O)[O-] 2176306539 BGOSJVWRBSYDJA-SSDOTTSWSA-N 303.296 -0.810 5 10 DBBE CS(=O)(=O)[C@@H]1COC[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 2207471506 QPUWAAORVABDFC-VXNVDRBHSA-N 302.312 -0.204 5 10 DBBE O=C(O)[C@H](CCO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 40700033 CSGWVPYKVVKVDD-ZETCQYMHSA-N 320.279 -0.586 5 10 DBBE COc1ccc(S(=O)(=O)N2CCOC[C@H]2N)c([N+](=O)[O-])c1 88378401 XLNBCXRWBLHHBO-NSHDSACASA-N 317.323 -0.091 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1 323129687 QIEHHEUUSGWEJV-MNOVXSKESA-N 302.308 -0.226 5 10 DBBE Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](N)C(=O)O 323258828 FGZKZAGXIDLNMW-QMMMGPOBSA-N 303.296 -0.407 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1COC[C@H]1O 323369944 DIMFPITYSWQCMX-DTWKUNHWSA-N 303.296 -0.785 5 10 DBBE COC(=O)[C@H](O)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 352070152 RIXLRYUSAGCVRF-SNVBAGLBSA-N 318.307 -0.452 5 10 DBBE CN[C@@H](C)CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 418863986 HTWKWSXWYSNAOO-JTQLQIEISA-N 308.338 -0.022 5 10 DBBE C[C@H]1CCNC(=O)[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593591367 UXEGNUGNOHGLGM-XVKPBYJWSA-N 314.323 -0.207 5 10 DBBE CN(C(=O)CN1C[C@H](O)C[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 596620815 GNONLPSBTGNMRM-NEPJUHHUSA-N 322.321 -0.522 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCCNC2)n1 599106831 HPCXZJHCNCAODR-MRVPVSSYSA-N 303.344 -0.251 5 10 DBBE CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599248781 ORPOOSCDNVIOLZ-SSDOTTSWSA-N 319.343 -0.669 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NN1Cc2ccccc2C1=O 782072332 XBWKMYFCHNPMPI-UHFFFAOYSA-N 302.250 -0.127 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN2C(=O)CC[C@@H]2C1 1151024505 AHKJIXQVHZJSOR-SNVBAGLBSA-N 307.310 -0.067 5 10 DBBE COCCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1281444855 HOLREIBBLYQCHA-GHMZBOCLSA-N 311.338 -0.251 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCn3ncnc32)n1 1335364896 YCORGXFSWPUDGL-UHFFFAOYSA-N 313.299 -0.481 5 10 DBBE CN(Cc1nncn1C)S(=O)(=O)c1ncccc1[N+](=O)[O-] 1350011234 FRVSBPXNKMCALC-UHFFFAOYSA-N 312.311 -0.061 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN2C(=O)NC[C@H]2C1 1566192289 WGAGZMLXWIHDQB-VIFPVBQESA-N 308.298 -0.664 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCc1cnc(O)nc1 1611624356 FSLUTIRVDGJZEG-UHFFFAOYSA-N 306.282 -0.046 5 10 DBBE COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)Cn1ccnn1 1638697571 SYKPCORPBUWKPC-JTQLQIEISA-N 321.293 -0.014 5 10 DBBE CCC[C@H](O)[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])nc1C 1638801876 QUZGSCPMBYDEBD-ZJUUUORDSA-N 300.315 -0.262 5 10 DBBE Cc1nc([C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)n[nH]1 1639290739 HKDZOIAGRKGHCH-QMMMGPOBSA-N 306.286 -0.371 5 10 DBBE C[C@@](Cn1cccn1)(NCCn1cc([N+](=O)[O-])cn1)C(N)=O 1660572068 DTXHVCFZUDHKKI-LBPRGKRZSA-N 307.314 -0.478 5 10 DBBE CCc1cnc(CC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 1703363962 FNWHTMQWHOOEBT-GHMZBOCLSA-N 323.353 -0.198 5 10 DBBE N=c1ccc([N+](=O)[O-])c(N2CC[C@H](CS(N)(=O)=O)C2)[nH]1 2144386856 JSPYODYOQVUSHA-ZETCQYMHSA-N 301.328 -0.483 5 10 DBBE NC(=O)[C@H]1CCN1S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2145604361 NDPACIHTNKCWLL-SSDOTTSWSA-N 301.280 -0.451 5 10 DBBE N[C@H]1C[C@H](O)CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2168108021 ARRRFXLIMVHAGH-CBAPKCEASA-N 302.312 -0.928 5 10 DBBE C[P@@]1(=O)C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](O)C1 2177807640 CRYHFOXGVRLWJO-SMPFOWEGSA-N 302.227 -0.357 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2C[C@@H]3CCS(=O)(=O)[C@H]3C2)n1 2196047082 IVBNTEHPBPEGRG-KWQFWETISA-N 300.340 -0.053 5 10 DBBE CN(C)CCOCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594770626 BHUOKVSRWBONBA-UHFFFAOYSA-N 318.355 -0.154 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCNC2)n1 599098205 RADHQNHLMIKSDU-MRVPVSSYSA-N 303.344 -0.394 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)n1 599390967 HGEJAZVOXRRYTG-BDAKNGLRSA-N 320.327 -0.854 5 10 DBBE COc1ncnc(NCCN(C)S(C)(=O)=O)c1[N+](=O)[O-] 692405400 CUIDRUUZLZSMIJ-UHFFFAOYSA-N 305.316 -0.303 5 10 DBBE CNC(=O)CN(C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C 1507788216 RLVGSQIWWRHFMT-GHMZBOCLSA-N 300.359 -0.434 5 10 DBBE C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[S@@](=O)C1 1567604118 UXMZHXWUVSRQEX-FFVOIRBGSA-N 301.328 -0.587 5 10 DBBE CCN(CCNC(=O)c1[nH]nnc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1581147032 ABAKEFAPFJVSLD-RKDXNWHRSA-N 310.314 -0.643 5 10 DBBE CN(C[C@@H](O)CN1CCOCC1)C(=O)CCC(C)(C)[N+](=O)[O-] 1630740000 QBKYUIHCDFOTFL-GFCCVEGCSA-N 317.386 -0.027 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(OCC(N)=O)CC1 1634610044 XFKLDLNIMHQTHR-UHFFFAOYSA-N 311.298 -0.565 5 10 DBBE CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 1644941650 CKTLGBAIHPPHPM-ZETCQYMHSA-N 317.327 -0.671 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](CO)[C@H](CCO)C1 1653839420 BLHFJYADHVTQIV-MNOVXSKESA-N 312.326 -0.451 5 10 DBBE O=C(NCCO)[C@H]1C[C@H](O)CN1C(=O)c1cccc([N+](=O)[O-])c1 1861034011 JTSSMLOWSCZQEL-NWDGAFQWSA-N 323.305 -0.721 5 10 DBBE Nc1sc(S(=O)(=O)N2CC(F)(CO)C2)cc1[N+](=O)[O-] 2116281820 VWIMCLMIKKFDJD-UHFFFAOYSA-N 311.316 -0.057 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CO)[C@@H](C)O 2174123085 IFHCWXPOVFXILL-BDAKNGLRSA-N 304.324 -0.077 5 10 DBBE O=C(O)C[C@@H]1CCCN(S(=O)(=O)N2CC([N+](=O)[O-])C2)C1 2191541032 TVFYFUKRSSNUMG-QMMMGPOBSA-N 307.328 -0.621 5 10 DBBE O=Cc1cc(N2CC[C@](O)(CO)[C@@H](O)C2)c([N+](=O)[O-])s1 2234104435 IYMHUANGPPAVMY-ONGXEEELSA-N 302.308 -0.237 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 176248085 GKDPOMMYGFBATL-VIFPVBQESA-N 303.344 -0.585 5 10 DBBE O=C(NC[C@H](O)CO)c1cc([N+](=O)[O-])ncc1Br 302300612 HHTWWJSWSYCSLZ-YFKPBYRVSA-N 320.099 -0.165 5 10 DBBE CC(C)[C@H](N)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599097287 APBUCQKBTNNARR-MRVPVSSYSA-N 305.360 -0.020 5 10 DBBE COC(=O)COCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 599443694 RXGGHIQHQDQPKC-UHFFFAOYSA-N 319.295 -0.542 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC1CCN(S(N)(=O)=O)CC1 698685007 ZGTUZGHUKNWOIS-UHFFFAOYSA-N 304.332 -0.592 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)OCCCS(=O)(=O)NC)n1 755567666 HQMXLJAIFRWATJ-UHFFFAOYSA-N 320.327 -0.093 5 10 DBBE COc1ccnc(C(=O)NCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1296177139 GHNZHUDNLODBCD-ZYHUDNBSSA-N 322.321 -0.056 5 10 DBBE COC(=O)c1cnc(N2CC(NC3COC3)C2)c([N+](=O)[O-])c1 1307219440 ZEKAQBZWZFFTDG-UHFFFAOYSA-N 308.294 -0.047 5 10 DBBE CN(CC1(C)COC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1328851437 NCRCIXXKYQGKSI-UHFFFAOYSA-N 304.328 -0.015 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCN1C(=O)CCC1=O 1444167445 DJMUPUZIOJQWTC-UHFFFAOYSA-N 322.277 -0.978 5 10 DBBE CCS(=O)(=O)CCNC(=O)Cn1c([N+](=O)[O-])cnc1C 1529847979 KVAAIPPUSCRJJI-UHFFFAOYSA-N 304.328 -0.349 5 10 DBBE CNC(=O)NCC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 1632080379 DUVSETCMTXHKJV-ZDUSSCGKSA-N 310.310 -0.153 5 10 DBBE CC1(C)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[S@@]1=O 1640764614 BUVVKKUBIPNVDT-NRFANRHFSA-N 315.355 -0.054 5 10 DBBE C[C@@H]1C[C@H](CN=c2nc([N+](=O)[O-])[nH]n2C)CCS1(=O)=O 2161425825 ZNIBUWDCSWRNMB-HTQZYQBOSA-N 303.344 -0.230 5 10 DBBE O=C(O)C1(F)CN(S(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2178359028 XUFXUEQJSAHZPF-UHFFFAOYSA-N 305.243 -0.213 5 10 DBBE O=[N+]([O-])c1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)c(CO)c1 2205292807 ULFHGUGKQUKFOQ-WDEREUQCSA-N 302.308 -0.343 5 10 DBBE C[C@H](O)CNCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 132252328 PQVWRFVHZAYSQS-JTQLQIEISA-N 317.367 -0.015 5 10 DBBE NC(=O)[C@@H](N)Cn1cc(Br)cc([N+](=O)[O-])c1=O 217013085 AKWJDQIBTVSASJ-YFKPBYRVSA-N 305.088 -0.668 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@](O)(C(N)=O)C1 348189581 OJSPGMHTCXLXFP-AWEZNQCLSA-N 322.321 -0.236 5 10 DBBE CN1CC[C@@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593577856 OSPYZNWMLPTNKX-LLVKDONJSA-N 316.339 -0.665 5 10 DBBE CNCCOCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] 599108504 ZIWKAKHVZOQESL-UHFFFAOYSA-N 304.328 -0.496 5 10 DBBE C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H]1CO 599288642 QSZRRYLQBJWLRZ-APPZFPTMSA-N 304.328 -0.280 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3COC[C@]3(C)C2)n1 599347891 WADYBDKMZWPSJY-KWQFWETISA-N 316.339 -0.015 5 10 DBBE CCNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cnc1C 731647058 ZQWYTSQJZCXZPW-UHFFFAOYSA-N 316.339 -0.033 5 10 DBBE Cc1nn(C)c(C(=O)NCC(=O)Nc2ccn(C)n2)c1[N+](=O)[O-] 1256278550 HPTOIKSLEBSDQW-UHFFFAOYSA-N 321.297 -0.261 5 10 DBBE O=C(CC1CC1)NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1352679735 YCSPUWLAAZQTJG-CHWSQXEVSA-N 324.381 -0.288 5 10 DBBE COC(=O)[C@@](C)(CO)NC(=O)CCn1cc([N+](=O)[O-])cn1 1468886718 VACKUZDZCHQGLC-LLVKDONJSA-N 300.271 -0.778 5 10 DBBE Nc1ncc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-] 1567417258 NPCQHVHPMSUKCB-JTQLQIEISA-N 307.310 -0.271 5 10 DBBE C[C@@H](CS(C)(=O)=O)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1633507460 CBJNJSPWIVCOTN-QMMMGPOBSA-N 317.323 -0.694 5 10 DBBE C[S@](=N)(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 1637506963 NYQZJCZXTSEAII-OAQYLSRUSA-N 316.343 -0.473 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC(S(C)(=O)=O)C1 1642820635 KEVABNCYRWFIJK-UHFFFAOYSA-N 302.312 -0.645 5 10 DBBE O=C1NCCn2c(CCNc3cccnc3[N+](=O)[O-])nnc21 1643179361 BNPSBLFCGZULDJ-UHFFFAOYSA-N 303.282 -0.021 5 10 DBBE CN(C)C1(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1687003881 QWOWUIBRHOZZTF-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE CC1(C(=O)NC2(CCO)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1734824811 ZWYLYVKYEFITDG-NXEZZACHSA-N 311.338 -0.469 5 10 DBBE N[C@@H]1CS(=O)(=O)C[C@H]1Oc1ncnc(Cl)c1[N+](=O)[O-] 2128225613 ODZFSMRVAWLQLG-RFZPGFLSSA-N 308.703 -0.459 5 10 DBBE O=C(O)[C@]1(n2cnc([N+](=O)[O-])n2)CCCS(=O)(=O)CC1 2144981026 CUTFCXXIEPHGRO-VIFPVBQESA-N 304.284 -0.435 5 10 DBBE NCC(CO)(CO)NC(=O)c1cc([N+](=O)[O-])cnc1Cl 2280458230 ZVAMPMILLLHRSP-UHFFFAOYSA-N 304.690 -0.945 5 10 DBBE CN1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN)C1 49086973 MTSZXRGDLXVKGP-QMMMGPOBSA-N 315.355 -0.137 5 10 DBBE CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC(=O)C1 50649844 ZMYQYDHISZHPPJ-UHFFFAOYSA-N 314.323 -0.243 5 10 DBBE CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50674402 XOUSXAFIQXXREO-ZCFIWIBFSA-N 302.312 -0.410 5 10 DBBE NS(=O)(=O)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 70214117 ATTYUILJDFZKAG-UHFFFAOYSA-N 312.300 -0.204 5 10 DBBE COc1ccc(S(=O)(=O)NC[C@](C)(O)CO)cc1[N+](=O)[O-] 90287618 MFYCPTSJUYSFCO-NSHDSACASA-N 320.323 -0.375 5 10 DBBE CN1CCN(NS(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 148602523 SGFAHNZGLUKLOI-UHFFFAOYSA-N 315.355 -0.382 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCOC[C@@H]1CO 168646523 OEGSQBBENAUSTL-VIFPVBQESA-N 302.308 -0.023 5 10 DBBE O=C(C1CC1)[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 360957827 NYIRAXDVOCMMFM-OLZOCXBDSA-N 324.337 -0.168 5 10 DBBE COC(=O)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccnn1C 592702406 QSARTAILZRDBAP-NSHDSACASA-N 322.281 -0.445 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC2(CNC2)C1 596097852 HTGBVQJRRXHTKZ-UHFFFAOYSA-N 309.326 -0.309 5 10 DBBE C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1CO 599355865 IRQJGNGPQXMNQZ-BDAKNGLRSA-N 318.355 -0.033 5 10 DBBE O=C1CC[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)N1 1141817969 MEXRZVJUIWQMOR-JTQLQIEISA-N 319.321 -0.083 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1C[C@@H]2COC[C@@H]2O1 1177347312 ZWUOGJKHQSAGDS-BREBYQMCSA-N 323.305 -0.323 5 10 DBBE O=C(NC/C=C\CNCC(=O)N1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1274015554 JOTIBPCJVQEZII-LLGAQUFESA-N 324.381 -0.074 5 10 DBBE O=C(CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CC1 1485682957 BHVKRKRAWIYLAB-FDYHWXHSSA-N 324.381 -0.338 5 10 DBBE CNC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 1567455034 PXTIIVRAQMKEBF-RYUDHWBXSA-N 323.305 -0.398 5 10 DBBE O=C1NCC2(CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)O1 1643188003 CMMDYGJJCUTPMP-UHFFFAOYSA-N 308.250 -0.923 5 10 DBBE NC(=O)c1ccnc(N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] 1643237717 PIFFKSONDCXNKC-QMMMGPOBSA-N 307.310 -0.344 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCS(C)(=O)=O 1663381548 JRHMPORZZZYXEF-NXEZZACHSA-N 307.372 -0.866 5 10 DBBE CN(C)CCC(=O)N(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 1704399209 BPIXXYIWUXVXJQ-VXGBXAGGSA-N 312.370 -0.290 5 10 DBBE NC(=O)CC(=O)NCC1(O)CN(Cc2ccccc2[N+](=O)[O-])C1 1716933896 GBEZRUHZYSGVHU-UHFFFAOYSA-N 322.321 -0.867 5 10 DBBE O=C(NCCCN(C(=O)c1nc[nH]n1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1758545741 YMDOAECURMKGAA-NXEZZACHSA-N 322.325 -0.419 5 10 DBBE O=C(N=c1nc[nH][nH]1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1858611562 CKDDXWBUUPUQPT-UHFFFAOYSA-N 312.267 -0.355 5 10 DBBE CN1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(=O)n(C)c3)C[C@@H]2C1 1889806130 KBOZLEKZMXQJIV-QWRGUYRKSA-N 306.322 -0.073 5 10 DBBE NCCN(CCO)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 2152163295 VRTGDZKXPLUBKX-UHFFFAOYSA-N 305.312 -0.758 5 10 DBBE C[C@@H](CS(N)(=O)=O)NC(=O)c1ccc(N)cc1[N+](=O)[O-] 2152954750 QMFQUDAYONYMHD-LURJTMIESA-N 302.312 -0.416 5 10 DBBE CN1CCC(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)CC1 2156820744 MXLRSBPOJLWQAO-UHFFFAOYSA-N 303.344 -0.220 5 10 DBBE O=[N+]([O-])c1ccccc1S(=O)(=O)C[C@@]1(O)CNC[C@H]1O 2157172538 RNDHJKZGUHFSAZ-MNOVXSKESA-N 302.308 -0.936 5 10 DBBE Cc1cc(=N[C@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])c(C)[nH]1 2177803753 ZPNWTNWBFCILEH-UWVGGRQHSA-N 301.324 -0.402 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)CCC2CNC2)n1 2240631994 GHFQXHBHRBBJPB-UHFFFAOYSA-N 303.344 -0.643 5 10 DBBE C[C@@H](CS(=O)(=O)NCc1nn(C)cc1[N+](=O)[O-])C(=O)O 2240654586 SUSAIACJTBDXBU-LURJTMIESA-N 306.300 -0.532 5 10 DBBE Nc1ccc(S(=O)(=O)NCC2(O)CSC2)cc1[N+](=O)[O-] 2283000807 ZPTSXNHXEMLUHV-UHFFFAOYSA-N 319.364 -0.067 5 10 DBBE CN(CCC(=O)O)S(=O)(=O)c1cnc(N)c([N+](=O)[O-])c1 62431324 RSWBVDARESNENZ-UHFFFAOYSA-N 304.284 -0.333 5 10 DBBE O=C1[C@H]2CCCCN2C(=O)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 438793699 RBDSPZZDGCBSSU-GHMZBOCLSA-N 323.309 -0.031 5 10 DBBE O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](c2nn[nH]n2)C1 537125231 FMEZFXONFHKNOP-QMMMGPOBSA-N 306.286 -0.289 5 10 DBBE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] 592874027 QLWNOZHNKMUSQB-MRVPVSSYSA-N 310.314 -0.490 5 10 DBBE CN1C[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)NC1=O 597446903 STPDEBWOLNMVLN-SECBINFHSA-N 304.266 0.433 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NCC1(S(N)(=O)=O)CC1 713980565 PPMGRCWSAHKNAU-UHFFFAOYSA-N 302.312 -0.516 5 10 DBBE C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCS(=O)(=O)C1 1320774407 ZJAKLEZKLBMUOJ-MRVPVSSYSA-N 316.339 -0.165 5 10 DBBE CO[C@H](CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 1347178304 MATZPYQAEPAPFG-CYZMBNFOSA-N 314.342 -0.207 5 10 DBBE CC(C)(CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)OCCO 1641992919 SQJCISHDRFUQQR-UHFFFAOYSA-N 313.310 -0.340 5 10 DBBE CCn1nnc(C)c1C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1686588985 DVUZQDSBWLHVSS-RKDXNWHRSA-N 310.314 -0.882 5 10 DBBE CC1(C(=O)N2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 1744086373 YMMHPERGIDCDOC-VXGBXAGGSA-N 324.381 -0.288 5 10 DBBE CCCN(CCNC(=O)Cc1nc[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1759077654 QJLMOMCVRMCXSO-NXEZZACHSA-N 324.341 -0.633 5 10 DBBE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1[C@@H]1CCCNC1=O 2156819593 CXQSZGZDSYBSCM-ZCFIWIBFSA-N 303.300 -0.802 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1OC1(CN)CS(=O)(=O)C1 2283035029 JNDXCYFJIFYEQX-UHFFFAOYSA-N 304.328 -0.376 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]2[C@@H](O)CO)c1 2286213308 REFJEAOCEHUMKP-QWRGUYRKSA-N 302.308 -0.289 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1nnn[nH]1 44930834 RNURFBRTCNQGHU-UHFFFAOYSA-N 314.283 -0.405 5 10 DBBE CC[C@H](CO)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 266182808 CVKUZNWXPLYWHZ-SNVBAGLBSA-N 323.353 -0.018 5 10 DBBE CCN1CCN(C(=O)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 592948586 FTLJKPUIQFMGFR-UHFFFAOYSA-N 324.341 -0.778 5 10 DBBE NC(=O)c1cccc([N+](=O)[O-])c1N1CCN2C[C@H](O)C[C@H]2C1 594603714 LXNNGUPINXMOTO-VHSXEESVSA-N 306.322 -0.051 5 10 DBBE CN(CCOCCN)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 599110177 JBDVTTYGQRQNDD-UHFFFAOYSA-N 304.328 -0.414 5 10 DBBE CN1CCOC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 600050463 KRZGQPIFTLRFGK-GFCCVEGCSA-N 322.321 -0.020 5 10 DBBE Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCNC1=O 710418815 BYCBZXCNKZSXEO-MRVPVSSYSA-N 300.296 -0.656 5 10 DBBE COC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCCOC1 1133847127 FOLDQLSBTTYDLD-VHSXEESVSA-N 313.314 -0.256 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCS(N)(=O)=O)c1 1176885238 QIJXWYTZCNRLES-UHFFFAOYSA-N 317.323 -0.036 5 10 DBBE Cc1nn(C)c(C(=O)N2CCn3c(O)nnc3C2)c1[N+](=O)[O-] 1320581791 ZKMFNVZCEUKHLM-UHFFFAOYSA-N 307.270 -0.410 5 10 DBBE CC(C)(C)[C@H]1CNC(=O)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 1463041765 WMXDZRFWQIILEA-MRVPVSSYSA-N 310.314 -0.441 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1Cc2ccccc2NC1=O 1557891701 OCKSRPIBBCARCK-JTQLQIEISA-N 316.277 -0.134 5 10 DBBE CN(CCS(N)(=O)=O)c1cc(F)c([N+](=O)[O-])cc1CO 1643133184 DFTLUPHPGDYQGI-UHFFFAOYSA-N 307.303 -0.049 5 10 DBBE CC(C)NC(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1718020738 MRDIANSEUPKJNK-CHWSQXEVSA-N 324.381 -0.076 5 10 DBBE Cn1cc(C(=O)N2CC[C@@H](n3nccn3)C2)cc([N+](=O)[O-])c1=O 1891158510 CUHOFPINZHTAIF-SNVBAGLBSA-N 318.293 -0.028 5 10 DBBE N[C@H]1CC[C@@]1(C(=O)O)n1nc([N+](=O)[O-])nc1Br 1998383619 GBKOEKBWONDYLV-CLTAVNFZSA-N 306.076 -0.150 5 10 DBBE Cc1[nH]c(=N)[nH]c(=N[C@H](C)CCS(C)(=O)=O)c1[N+](=O)[O-] 2160756164 DFUSUWRBZKRAOV-ZCFIWIBFSA-N 303.344 -0.237 5 10 DBBE CON(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CNC1 2169259421 BGAKPOZWFVMLIE-UHFFFAOYSA-N 302.312 -0.418 5 10 DBBE CN=c1nc(N=[S@]2(=O)CC[C@H](CN)C2)c([N+](=O)[O-])c[nH]1 2173927489 IQVUGODHYLZBLA-GLEHDBDLSA-N 300.344 -0.074 5 10 DBBE CS(=O)(=O)N1CC[C@H](Oc2[nH]c(=N)ccc2[N+](=O)[O-])C1 2285593173 DVBATEJNCXKZPJ-ZETCQYMHSA-N 302.312 -0.185 5 10 DBBE Nc1sc(S(=O)(=O)N2CC[C@H]2[C@@H](O)CO)cc1[N+](=O)[O-] 2286224887 IPABGYVTJZHYBB-FSPLSTOPSA-N 323.352 -0.645 5 10 DBBE O=[N+]([O-])c1cc(CO)ccc1O[C@H]1CS(=O)(=O)C[C@@H]1O 37693281 JZFCZLYPQUENDZ-ONGXEEELSA-N 303.292 -0.376 5 10 DBBE O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CCN2CCOC[C@H]2C1 365200415 QJOVYLWJCNTDOY-SNVBAGLBSA-N 308.294 -0.148 5 10 DBBE CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599288505 MTBFWGVQEHIWPG-SSDOTTSWSA-N 319.343 -0.527 5 10 DBBE O=C1NCC[C@H]1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 699081630 JODJHUGATYGEOF-MRVPVSSYSA-N 303.271 -0.099 5 10 DBBE C[C@@H](O)[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 717415840 PQNGPGNLNINJMD-MUWHJKNJSA-N 308.287 -0.246 5 10 DBBE CN1C[C@@H]2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@H]2C1 1261246879 DDNONFAHTQXHFU-QWRGUYRKSA-N 306.322 -0.081 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3C(=O)OC[C@H]3C2)n1 1329294787 YIHMWWWYAIRCGD-RNFRBKRXSA-N 316.295 -0.878 5 10 DBBE COC(=O)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCOC1 1607762342 STDKYBRVRZDYKU-YUMQZZPRSA-N 312.282 -0.127 5 10 DBBE CC(C)N(C)C(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1690336558 KEJKUYMKTJBSQJ-WRWGMCAJSA-N 312.370 -0.245 5 10 DBBE CCCNC(=O)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1707063479 ZUJJWVKGKPSBSO-WRWGMCAJSA-N 312.370 -0.338 5 10 DBBE O=C(O)CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(O)O 1865981803 QWQQPZZAMPEDSR-VIFPVBQESA-N 312.278 -0.202 5 10 DBBE O=[N+]([O-])c1cccc(O)c1NS(=O)(=O)C1CS(=O)(=O)C1 1917943472 ULLICSCTWLIDSE-UHFFFAOYSA-N 322.320 -0.161 5 10 DBBE CS(=O)(=O)C1CN(C(=O)c2cc(=N)[nH]cc2[N+](=O)[O-])C1 2152285243 BWEUQNGKZUEFAQ-UHFFFAOYSA-N 300.296 -0.729 5 10 DBBE CS(=O)(=O)CC[C@H](N)C(=O)N=c1cc[nH]cc1[N+](=O)[O-] 2202440480 YOTWUVLKHSREIG-ZETCQYMHSA-N 302.312 -0.888 5 10 DBBE CCc1ncc([N+](=O)[O-])c(=NCCNS(=O)(=O)CC)[nH]1 2286686447 AJFBWNDAVRDUCF-UHFFFAOYSA-N 303.344 -0.280 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2289401293 PWMBVCIJJVICLI-PMVVWTBXSA-N 303.702 -0.207 5 10 DBBE NNc1ncnc(NCCS(=O)(=O)C2CC2)c1[N+](=O)[O-] 2290132372 JOWXMONDPYQHQR-UHFFFAOYSA-N 302.316 -0.341 5 10 DBBE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC(CO)CO)c1 87752328 WOMDILJALPCTLH-UHFFFAOYSA-N 310.715 -0.120 5 10 DBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nn1cnnc1 243340208 LSKGEHWEHVWLCS-UHFFFAOYSA-N 316.233 -0.447 5 10 DBBE CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 342393373 XDOSROCUUCYEND-ZETCQYMHSA-N 303.296 -0.049 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC(F)(F)C[C@@H]1CO 366681501 RBHWWXMASRXYLF-SECBINFHSA-N 317.248 -0.015 5 10 DBBE CCS(=O)(=O)C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 598382433 CQOXTVOZUWWKSR-UHFFFAOYSA-N 316.339 -0.125 5 10 DBBE O=C1NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]12 1116566781 VCLQTVHWCMRVHX-VIFPVBQESA-N 305.250 -0.634 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCS(=O)(=O)C1 1441054816 XSOTWMYEMHHGDL-SSDOTTSWSA-N 302.312 -0.507 5 10 DBBE CCOC(=O)[C@H](COC)NC(=O)CCn1cc([N+](=O)[O-])cn1 1471865429 IBMGYMLPGAPRDX-JTQLQIEISA-N 314.298 -0.124 5 10 DBBE CN1C(=O)[C@@H]2CN(C(=O)c3cnc(O)c([N+](=O)[O-])c3)C[C@@H]2C1=O 1648899685 QXXSPUKDIYXVHE-OCAPTIKFSA-N 320.261 -0.618 5 10 DBBE CN=c1cc([N+](=O)[O-])cc(N2CCS(=O)(=O)CCO2)[nH]1 2146459769 LFUVUAQJHPTUOP-UHFFFAOYSA-N 302.312 -0.380 5 10 DBBE C[C@H](CS(N)(=O)=O)Nc1cc(C(=O)O)c([N+](=O)[O-])cn1 2152941664 SESWGADYSSKCKZ-RXMQYKEDSA-N 304.284 -0.223 5 10 DBBE Cc1cc(C(=O)NCCNS(N)(=O)=O)ccc1[N+](=O)[O-] 2157538397 ZBIAREFNEWVMCJ-UHFFFAOYSA-N 302.312 -0.574 5 10 DBBE O=C1CN(c2nc(Cl)ncc2[N+](=O)[O-])CCN1CCO 2171074193 JUHIAHYADPMMFX-UHFFFAOYSA-N 301.690 -0.321 5 10 DBBE C[C@](N)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2181128800 JCOSJPUUROYTNV-SNVBAGLBSA-N 307.303 -0.278 5 10 DBBE O=C(O)CNC(=O)CNC(=O)C=Cc1cccc([N+](=O)[O-])c1 2325294576 XHRCHJNBCVSDBY-UHFFFAOYSA-N 307.262 -0.075 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H](O)CN 312859750 RSRYOTQXAVBMNK-JTQLQIEISA-N 303.340 -0.157 5 10 DBBE Cn1c(=O)ccn(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1=O 346661792 KQMZOIIXIBTXIA-UHFFFAOYSA-N 320.261 -0.201 5 10 DBBE CS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 532143771 CPXSGFXOUZRCMR-UHFFFAOYSA-N 314.323 -0.293 5 10 DBBE C[C@@H](O)[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 565842517 FQHAMMHVKMBQAT-RKDXNWHRSA-N 317.323 -0.240 5 10 DBBE NC(=O)[C@H]1CCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594779272 LWJICFXXFWLRCQ-SSDOTTSWSA-N 300.296 -0.372 5 10 DBBE CCn1cc(S(=O)(=O)NCC23CC(CN2)C3)c([N+](=O)[O-])n1 595121361 PCZNBXBNENCVAV-UHFFFAOYSA-N 315.355 -0.159 5 10 DBBE CN1C[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)NC1=O 597576567 VSNNRMLVZVXZHH-JTQLQIEISA-N 322.325 -0.022 5 10 DBBE COC(=O)C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CC1 598264839 GXEUXRSMZPFCIN-VIFPVBQESA-N 311.298 -0.108 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC[C@@H]2O)c(F)c1 699960998 DGPYUAUYFXTMIK-BDAKNGLRSA-N 305.287 -0.655 5 10 DBBE C[C@H]1CN(c2cc([N+](=O)[O-])cc(NN)n2)CCS1(=O)=O 707274066 GFHIEHHWESLKDF-ZETCQYMHSA-N 301.328 -0.101 5 10 DBBE COC(=O)[C@@]1(F)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 752678022 UXXKHUDHFZWDTE-SNVBAGLBSA-N 301.234 -0.700 5 10 DBBE O=C1O[C@H]2C[C@H]1N(c1ncnc(N3CCOCC3)c1[N+](=O)[O-])C2 856761711 AZBNIQQVYWWTLV-DTWKUNHWSA-N 321.293 -0.275 5 10 DBBE Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)CN1CCOCC1 1138764394 BAZWODJEYCGTNN-SNVBAGLBSA-N 324.337 -0.400 5 10 DBBE CC(C)(CCC(=O)NCCC(=O)NS(C)(=O)=O)[N+](=O)[O-] 1154155788 VXYDODFDNNKIES-UHFFFAOYSA-N 309.344 -0.596 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cccnn1 1299223379 GAZHMGXIYVBULI-PSASIEDQSA-N 305.294 -0.480 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)n1 1326789497 ZPZOROBPCLGLBK-ZETCQYMHSA-N 320.313 -0.153 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCSC[C@@H]1CO 1545889108 JLTSNFOSVMBPHP-VIFPVBQESA-N 313.335 -0.307 5 10 DBBE CNC(=O)NC[C@@H]1COCCN1CCn1cc([N+](=O)[O-])cn1 1560091609 NHXMANQLMAPKLA-LLVKDONJSA-N 312.330 -0.579 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 1588101901 RJYWTHUNAYDNAO-UHFFFAOYSA-N 304.646 -0.669 5 10 DBBE CN(C)[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1cncn1C 1630052813 NOPBCEFDRDGFTN-LBPRGKRZSA-N 321.341 -0.056 5 10 DBBE Cc1cc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 1738355790 DRSKPJVRJRCSMW-ZYHUDNBSSA-N 321.337 -0.019 5 10 DBBE Cc1cnc(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1738435950 NQCDDRNWWKPETM-IRSQKABVSA-N 319.321 -0.148 5 10 DBBE Cc1cc(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 1747783137 MMBXOKFZYBPAMG-GHMZBOCLSA-N 322.321 -0.044 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(CCn2ccnc2)CC1 1851805930 VVVZAXDIOMXVRL-UHFFFAOYSA-N 319.325 -0.028 5 10 DBBE Cn1cc(C(=O)N2CCN3C[C@H](O)C[C@@H]3C2)cc([N+](=O)[O-])c1=O 1890534685 LLLGOBBECSBDSP-GHMZBOCLSA-N 322.321 -0.816 5 10 DBBE COC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CNC1 2157881781 GUCVZEUMGFXYKB-UHFFFAOYSA-N 301.324 -0.139 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CN)CO 2182586162 NKEDSPABBGCQSL-ZETCQYMHSA-N 305.312 -0.799 5 10 DBBE CS(=O)(=O)[C@H]1CNC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cs1 2192657881 OSJRDLJJHWSIJA-CBAPKCEASA-N 319.364 -0.229 5 10 DBBE Cc1ncc([N+](=O)[O-])c(=NCCNS(=O)(=O)C(F)F)[nH]1 2286616789 OGVQJUBNHYHYOU-UHFFFAOYSA-N 311.270 -0.331 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)NCC2CC2)n1 599274366 REFBIIUBTIZCIW-UHFFFAOYSA-N 317.327 -0.867 5 10 DBBE CCN(CCOCCO)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599299487 KMKVQQGOEBOIQZ-UHFFFAOYSA-N 322.343 -0.652 5 10 DBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1n1cc([N+](=O)[O-])c(C(=O)O)n1 696825881 ZHRCLPJJLSMRJD-NKWVEPMBSA-N 305.268 -0.526 5 10 DBBE CCN(C)C(=O)CN1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1333337591 SRBKHGVAVIOYEF-CHWSQXEVSA-N 324.381 -0.122 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2nc[nH]n2)C1 1451981243 JRPVYZTWMOSTPJ-SECBINFHSA-N 318.293 -0.109 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[S@]2=O 1469748832 LRXMYARTHOFROE-QJHLZDNFSA-N 311.319 -0.512 5 10 DBBE O=C(CCc1cn[nH]c1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1494217939 LPBGFJLFMVIVLY-WRWGMCAJSA-N 321.337 -0.229 5 10 DBBE NC1=CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)N1 1626491921 XLGRWLGGJGQHJR-UHFFFAOYSA-N 301.266 -0.064 5 10 DBBE C[C@H]1CN(C(=O)Cn2ccc(N)c([N+](=O)[O-])c2=O)C[C@@H](C)O1 1644077624 YSHDLACLBYMBDZ-DTORHVGOSA-N 310.310 -0.026 5 10 DBBE Cn1nccc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721810017 HKACIFMPEPQXFF-NWRGJWMSSA-N 307.310 -0.513 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCNC[C@H]2F)cn1 2146551271 YYAMUHCSSMWDKK-RKDXNWHRSA-N 304.303 -0.032 5 10 DBBE O=[N+]([O-])c1c(N2C[C@H](O)[C@H](O)[C@@H]2CO)nc2sccn12 2200877126 TVTLZKAGZHKGLM-LYFYHCNISA-N 300.296 -0.793 5 10 DBBE CS(=O)(=O)N1CC[C@H](Oc2nc(=N)[nH]cc2[N+](=O)[O-])C1 2285596060 WVIQMNXCKZDVOK-LURJTMIESA-N 303.300 -0.790 5 10 DBBE C[C@](O)(CO)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 126539285 CWODTQFUUHTBHF-SNVBAGLBSA-N 308.287 -0.245 5 10 DBBE COCCN(CCO)S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 164435628 MCDJINMNFCNBDS-UHFFFAOYSA-N 320.323 -0.070 5 10 DBBE CC[S@](=O)CCNC(=O)c1cc([N+](=O)[O-])ncc1NN 305978669 QXLTWIFJQLYHOE-FQEVSTJZSA-N 301.328 -0.226 5 10 DBBE Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(CO)COCCN2)c1 1454783277 SDRCRIGXOOIRNY-CQSZACIVSA-N 309.322 -0.016 5 10 DBBE O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(Cc2nc(C3CC3)n[nH]2)CC1 1480356176 DLLJKMOXJWIENN-GHMZBOCLSA-N 320.353 -0.009 5 10 DBBE O=C(NCCN1CCNC1=O)[C@H](O)c1cccc([N+](=O)[O-])c1 1558395972 DENAXXKEZXTMNR-LLVKDONJSA-N 308.294 -0.230 5 10 DBBE CN1CCC(N(CCO)C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 1639321228 JGDMRQNJWFIUCH-UHFFFAOYSA-N 311.342 -0.294 5 10 DBBE CS(=O)(=O)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 1640277862 XZXRSCSCGJBVOT-NEPJUHHUSA-N 316.335 -0.070 5 10 DBBE CN(CC1CC1)C(=O)CNCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1663923824 JDHDXPYAZMXZKT-VXGBXAGGSA-N 312.370 -0.432 5 10 DBBE Cc1nonc1C(=O)NCCN(C)Cc1c([N+](=O)[O-])ncn1C 1713478861 KFCLUKZWBNGMGE-UHFFFAOYSA-N 323.313 -0.118 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[C@H](O)CO)cc1 1963619446 SVXHYJYSTOYYJS-NSHDSACASA-N 304.324 -0.243 5 10 DBBE NNc1ncc(Br)c(C(=O)N2CC([N+](=O)[O-])C2)n1 2071566309 YJMGBSKHRSTPSW-UHFFFAOYSA-N 317.103 -0.374 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(O)(CN)C1 2154726030 HISVDLTUNBQEEH-UHFFFAOYSA-N 301.324 -0.403 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](F)C2CNC2)cn1 2169212512 ZNNLIUJNTMXECX-VIFPVBQESA-N 304.303 -0.174 5 10 DBBE C[S@](=O)(=Nc1cc([N+](=O)[O-])cc(=N)[nH]1)N1CCNCC1 2173925517 KOGLBKDZHITFGB-FQEVSTJZSA-N 300.344 -0.048 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CCN1CC(NS(C)(=O)=O)C1 2195789474 YQFQQOVWQSGYMB-UHFFFAOYSA-N 303.344 -0.667 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2CNC[C@H](F)C2)c1 2234650484 JLHDDHIZYRYCEX-SFYZADRCSA-N 304.303 -0.032 5 10 DBBE CO[C@@H]1[C@@H](O)C[C@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2286745501 RJNNPINPTBHROE-UTLUCORTSA-N 303.296 -0.584 5 10 DBBE CS(=O)(=O)C[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1O 2360522587 MVFPAMIJUNWQKJ-SSDOTTSWSA-N 303.296 -0.389 5 10 DBBE Cc1nc([N+](=O)[O-])c(N[C@H](CS(C)(=O)=O)C(=O)O)n1C 2360571320 GBGIFSGHUMTEHB-ZCFIWIBFSA-N 306.300 -0.454 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)O 131132365 MFOXJSISHFNLSY-MLUIRONXSA-N 322.270 -0.154 5 10 DBBE O=C(C1CC1)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 360957829 NYIRAXDVOCMMFM-STQMWFEESA-N 324.337 -0.168 5 10 DBBE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 373665407 HZPTYYOOHKLDEH-ISVAXAHUSA-N 324.293 -0.030 5 10 DBBE CN(C)C(=O)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 556704061 CLAYHDCZWOSRAC-UHFFFAOYSA-N 310.314 -0.232 5 10 DBBE NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593610561 VSJAHHAQOXOGSO-MRVPVSSYSA-N 300.296 -0.372 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2CO)cc1 698138025 KASSNDONILSWNI-NXEZZACHSA-N 302.308 -0.289 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2CCOC[C@H]2O)c1 706680203 HXYQGYNKKBWGST-VHSXEESVSA-N 303.296 -0.582 5 10 DBBE CON(C)C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 845948487 VYKIAAFSZRTZQF-UHFFFAOYSA-N 304.284 -0.712 5 10 DBBE O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@H](CO)[C@@H](CCO)C1 1305753822 SWTRYBJQYBLOSL-WDEREUQCSA-N 312.326 -0.369 5 10 DBBE CN(C)C[C@]1(O)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 1307189400 FOJHFHBKPUQWDG-CYBMUJFWSA-N 309.326 -0.409 5 10 DBBE COc1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1OCC(N)=O 1464258864 BOLCIXXCDBRCIC-NXEZZACHSA-N 323.305 -0.159 5 10 DBBE COC(=O)N[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1625869413 DLYKONHDIFTPRE-VIFPVBQESA-N 324.293 -0.287 5 10 DBBE C[C@@H](O)[C@H](O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 1642581885 PDSFVBSKIIYOJR-GMSGAONNSA-N 312.278 -0.163 5 10 DBBE Cn1ncc([N+](=O)[O-])c1NC1CCN(S(N)(=O)=O)CC1 1652085236 JUVULBWZJOAAAN-UHFFFAOYSA-N 304.332 -0.592 5 10 DBBE NS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])c(F)c1 2157544970 HMTIXASSABDXII-UHFFFAOYSA-N 306.275 -0.743 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCSC[C@H]1C(=O)O 2186545084 BACWTBOTRMWMDO-ZETCQYMHSA-N 300.296 -0.030 5 10 DBBE CO[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 2188217579 BCAHYRDCCSMSQX-WPRPVWTQSA-N 302.312 -0.054 5 10 DBBE O=CN[C@@H](C[S@@](=O)Cc1ccc([N+](=O)[O-])cn1)C(=O)O 2195297920 JKIHYRNJJXZFDH-LXGOIASLSA-N 301.280 -0.562 5 10 DBBE O=[N+]([O-])c1cc(Cl)cnc1N1C[C@H](O)[C@@H](O)[C@@H](CO)C1 2289404934 BVCAXWXXYNISET-UASFKTIASA-N 303.702 -0.207 5 10 DBBE CS(=O)(=O)C[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 2360554548 JGKOETOLNLACHR-JTQLQIEISA-N 301.324 -0.417 5 10 DBBE CNS(=O)(=O)NCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 450754460 CTBBMBCYHGBGGF-UHFFFAOYSA-N 318.311 -0.404 5 10 DBBE O=C1OCCN1CCCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 496229158 QOYPANHRKHNZRK-NSHDSACASA-N 313.314 -0.416 5 10 DBBE Cc1ccc([N+](=O)[O-])cc1NC(=O)C[S@@](=O)C[C@H](O)CO 526885901 OJLFPKWDKNLLTK-UZJPJQLHSA-N 316.335 -0.056 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN2C[C@H](O)C[C@H]2C1 594391685 BYVCZYRXZZRMCT-NWDGAFQWSA-N 322.321 -0.966 5 10 DBBE NC(=O)CN1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1=O 596265537 RRIRXCJWPBHEOC-UHFFFAOYSA-N 313.701 -0.223 5 10 DBBE CNC[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599095761 HUIZIVIGSADHDH-VIFPVBQESA-N 317.371 -0.052 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCNC[C@@H]2C(F)F)c1 923352729 QPMLISFFMAMVOG-VHSXEESVSA-N 305.285 -0.309 5 10 DBBE CN(C)C1(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 1284972921 GWEVXMYKGKOUOK-VXGBXAGGSA-N 324.381 -0.290 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)N[C@@]2(C(=O)OC)CCOC2)n1 1355584591 BMVQIGAYNBXBPC-LBPRGKRZSA-N 312.282 -0.127 5 10 DBBE COC(=O)[C@@](C)(O)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1447452084 JMSOMSBUFVRGHI-GWCFXTLKSA-N 312.278 -0.332 5 10 DBBE O=C(NC[C@@]12COCCN1C(=O)OC2)c1c[nH]nc1[N+](=O)[O-] 1454942559 IUVRWJGTXICFDT-NSHDSACASA-N 311.254 -0.731 5 10 DBBE CCc1nn(C)c(NC[C@@]2(CO)COCCN2C)c1[N+](=O)[O-] 1458613124 GMAJAOGTJYSXBF-CYBMUJFWSA-N 313.358 -0.004 5 10 DBBE C[C@H](O)[C@@H](O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 1557730714 OAOAICNTSKDPIF-UFBFGSQYSA-N 308.294 -0.198 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC(C)(C)CNS(C)(=O)=O 1558456730 DIJOMNWVJMRDJI-UHFFFAOYSA-N 319.343 -0.614 5 10 DBBE Cn1cc(C(=O)CNC(=O)CCn2cc([N+](=O)[O-])cn2)cn1 1645905179 VGNLAZRATLBMQA-UHFFFAOYSA-N 306.282 -0.086 5 10 DBBE Cn1ccc(CCC(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1703364052 HXCYGDZCWHQJRX-VXGBXAGGSA-N 323.353 -0.360 5 10 DBBE CN(C)CCC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703879905 KMSBRYXXSBQNFK-YVECIDJPSA-N 324.381 -0.195 5 10 DBBE COCC(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 1725350375 RABYWVFEICZWEG-MGCOHNPYSA-N 311.342 -0.041 5 10 DBBE COc1ccc(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 1889917689 DSEFUDRSWNVRBO-AOOOYVTPSA-N 319.273 -0.052 5 10 DBBE NS(=O)(=O)NCCNc1ccc([N+](=O)[O-])c(C(=O)O)c1 2157526001 RMRVXZYTHYPMPE-UHFFFAOYSA-N 304.284 -0.502 5 10 DBBE CN=c1[nH]c(N(C)[C@@H]2CCS(=O)(=O)C2)ncc1[N+](=O)[O-] 2157681557 FDOSATWMNSSEBW-SSDOTTSWSA-N 301.328 -0.528 5 10 DBBE C[C@@H]1[C@@H](O)CN1S(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1 2182522344 DVDXGPHOGLAFGA-LDWIPMOCSA-N 302.312 -0.366 5 10 DBBE O=C(O)[C@@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 40699304 VYCPCXFYZBRRLN-MRVPVSSYSA-N 322.270 -0.152 5 10 DBBE Cc1nn(C)c(C(=O)N2C[C@@H](C(=O)O)O[C@H](C)C2)c1[N+](=O)[O-] 262171913 OXSFGZOUZAXVTF-SVRRBLITSA-N 312.282 -0.049 5 10 DBBE COC(=O)[C@H](CO)NC(=O)c1cc(Cl)ncc1[N+](=O)[O-] 300528888 HMXJDJRWOOFBEW-LURJTMIESA-N 303.658 -0.093 5 10 DBBE CC(C)OC[C@H](CO)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 432579992 QUNCLQXANVUDMD-VIFPVBQESA-N 301.303 -0.569 5 10 DBBE CS(=O)(=O)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 593276321 RNZQVFILOMYIHB-QMMMGPOBSA-N 314.323 -0.247 5 10 DBBE C[C@@H]1CNCC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599104971 GKUOCHWOEPAZNQ-HTQZYQBOSA-N 303.344 -0.395 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H](O)C2(C)C)n1 599280033 ABSYOCXYJWJZAN-YUMQZZPRSA-N 304.328 -0.234 5 10 DBBE C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1C(N)=O 599541285 HIKAKQSPDAKTSA-AXTRIDKLSA-N 322.321 -0.158 5 10 DBBE O=[N+]([O-])c1ccccc1S[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O 606228223 SZAOZNVCHHBUDZ-NLTWPBFGSA-N 317.319 -0.513 5 10 DBBE Cn1cc([N+](=O)[O-])cc1C(=O)NCC12COCCN1CCOC2 913308531 GKQKGYAJBQJHIL-UHFFFAOYSA-N 324.337 -0.236 5 10 DBBE Cc1cc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ncn1 1484273151 RXOMSIBOTJVXHP-VXGBXAGGSA-N 321.337 -0.887 5 10 DBBE CCOC(=O)[C@H](COC)NC(=O)c1c([N+](=O)[O-])cnn1C 1558358618 XRDRFFRDBMSXCG-ZETCQYMHSA-N 300.271 -0.364 5 10 DBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCF 1635458275 IWTSFOCKBFENGP-UHFFFAOYSA-N 305.287 -0.041 5 10 DBBE C[C@H]1C(=O)N(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C(=O)N1C 1640913730 HUTULBLSZBMJTC-ZETCQYMHSA-N 323.265 -0.930 5 10 DBBE Cn1cnc([N+](=O)[O-])c1NC[C@@]12COCCN1C(=O)COC2 1652138811 LMFOLMLNYYBJHH-LBPRGKRZSA-N 311.298 -0.632 5 10 DBBE Cc1nc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)n[nH]1 1724784269 DDBLSCAOZFSYBF-NXEZZACHSA-N 308.342 -0.093 5 10 DBBE CCN(CC)CC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1745106613 NPYIRTKMPIEJLL-GHMZBOCLSA-N 300.359 -0.432 5 10 DBBE C[C@]1(O)CON(S(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)C1 2149826326 DKMNXYBOZDBWNP-MRVPVSSYSA-N 324.340 -0.371 5 10 DBBE C[C@@H](CS(=O)(=O)N(C)C)Nc1ncc([N+](=O)[O-])c(=N)[nH]1 2157639640 MPNXAIYJDMXZTK-LURJTMIESA-N 304.332 -0.511 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@@H]2C[C@@H](O)C[C@H]2O)c1 2164982216 SYLULFILMLREIA-SZEHBUNVSA-N 303.296 -0.848 5 10 DBBE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)c1cc([N+](=O)[O-])cs1 2200868238 XOBUZLZGICKSNE-DTLFHODZSA-N 302.264 -0.713 5 10 DBBE NNc1ccc([N+](=O)[O-])c(N[C@H]2CS(=O)(=O)C[C@@H]2O)c1 2206803309 VDZKBYVYIJZLLB-WPRPVWTQSA-N 302.312 -0.550 5 10 DBBE CC(CO)(CO)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 126269696 BNSNIFUTXMEFNW-UHFFFAOYSA-N 304.324 -0.243 5 10 DBBE O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC(O)(CO)C1 597704550 DBFXKCCMVZYWMK-UHFFFAOYSA-N 310.262 -0.455 5 10 DBBE COC(=O)[C@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599350062 RUTMAUSCESYFAG-LJGSYFOKSA-N 318.311 -0.442 5 10 DBBE O=[N+]([O-])c1ccc(CS(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1 611024386 JTKXSODBCDQEIL-TXEJJXNPSA-N 316.335 -0.148 5 10 DBBE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] 862683253 WOMOZKDQBVLINC-KOLCDFICSA-N 323.305 -0.189 5 10 DBBE CCNC(=O)NC(=O)Cn1nc([N+](=O)[O-])nc1Br 1307387790 XLHNUJYFLLLNPT-UHFFFAOYSA-N 321.091 -0.206 5 10 DBBE CNC(=O)CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1524925975 QFHBGEKZWFDHMA-UHFFFAOYSA-N 310.314 -0.439 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(c2nn[nH]n2)CC1 1558028274 XCIPIMRYTWDVJO-UHFFFAOYSA-N 306.286 -0.289 5 10 DBBE CCS(=O)(=O)CCCNC(=O)Cn1cnc([N+](=O)[O-])n1 1597451374 YNBZVFPRDQUCRG-UHFFFAOYSA-N 305.316 -0.873 5 10 DBBE C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1nncn1C 1625750971 HSCLFJHCBPWQSH-QMMMGPOBSA-N 306.282 -0.238 5 10 DBBE O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc(O)nc1 1705260933 DVXLOGDWFRIDIM-NXEZZACHSA-N 320.305 -0.169 5 10 DBBE O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ncccc1O 1747776544 JJPCGGHDHSSOTG-RKDXNWHRSA-N 320.305 -0.169 5 10 DBBE Cc1ccc(S(=O)(=O)NC2(CO)CNC2)cc1[N+](=O)[O-] 1918433785 PCYOMKWRQSBDGV-UHFFFAOYSA-N 301.324 -0.484 5 10 DBBE CN(C)CCNS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-] 126652452 HAMXIGCWDBZIIK-UHFFFAOYSA-N 303.344 -0.280 5 10 DBBE CN(C)S(=O)(=O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] 231013765 MEFKIZJAOQZZKG-UHFFFAOYSA-N 317.323 -0.078 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@@H]3C[C@H]2C[S@]3=O)c1 593097728 QINAKHYTPGXQEU-REYDIBRUSA-N 300.340 -0.643 5 10 DBBE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2C[C@H]1C[S@]2=O 593870668 RKSDUGARFKXGOT-SWHJWPDWSA-N 311.319 -0.512 5 10 DBBE C[C@H](CCN(C)C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599242721 QLUZKSILGOXTQZ-MRVPVSSYSA-N 305.360 -0.053 5 10 DBBE CN1CCOC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 600421379 NORXCMXKDZGHHA-NSHDSACASA-N 310.310 -0.797 5 10 DBBE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CCNC1=O 855144925 VQYUQCBSIPTYMD-JTQLQIEISA-N 303.278 -0.051 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCN(C(N)=O)C1 1140243525 XZBXMUAVMFGNPG-VIFPVBQESA-N 310.314 -0.383 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](CO)CN1CCCCC1 1157549156 NDXBIZKQSOKNET-SNVBAGLBSA-N 311.342 -0.095 5 10 DBBE CCN(CCNC(=O)Cn1ccnc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1284615816 PRRVMMNCIBRHHN-VXGBXAGGSA-N 323.353 -0.179 5 10 DBBE Cc1nc[nH]c1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1299196319 QJZFAVYBSZTYAA-RKDXNWHRSA-N 307.310 -0.238 5 10 DBBE Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(CO)COCCN1 1302503888 OUNLWSYBXWUMLW-CYBMUJFWSA-N 310.310 -0.742 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)n1 1324906174 GSRKMVQTWVKELD-ZETCQYMHSA-N 306.286 -0.139 5 10 DBBE CC(=O)N1C[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@H]2C1 1438881266 XTRKSNYJNVUTAC-AOOOYVTPSA-N 308.298 -0.877 5 10 DBBE Cc1nn(C)c(N2CC[C@H](CS(N)(=O)=O)C2)c1[N+](=O)[O-] 1458664780 KIMWOTYNJIMELY-QMMMGPOBSA-N 303.344 -0.248 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1cccn1 1743456200 KYGYHQVWJJQSOX-VXGBXAGGSA-N 323.353 -0.097 5 10 DBBE CN(C1COC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 1915670345 XDKVUMACNORGOD-UHFFFAOYSA-N 302.312 -0.100 5 10 DBBE CN=c1ccc([N+](=O)[O-])c(N2CCS(=O)(=O)CCO2)[nH]1 2146459716 KVSPABWNFYYPML-UHFFFAOYSA-N 302.312 -0.380 5 10 DBBE CNc1nc[nH]c(=NCC2(C)CS(=O)(=O)C2)c1[N+](=O)[O-] 2152860331 CYHRRBYQLLPUSH-UHFFFAOYSA-N 301.328 -0.305 5 10 DBBE NS(=O)(=O)c1cn(CCN2CCCC2=O)nc1[N+](=O)[O-] 2156822419 AWVMXEDPBJAGSL-UHFFFAOYSA-N 303.300 -0.939 5 10 DBBE O=C(CCc1n[nH]c(=O)[nH]c1=O)Nc1cccc([N+](=O)[O-])c1 13523332 QHWVDDYGBSFOBO-UHFFFAOYSA-N 305.250 -0.062 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1cccc(N)c1[N+](=O)[O-] 126966338 MAFHXZOTCOJYGS-UHFFFAOYSA-N 302.312 -0.409 5 10 DBBE CC(C)(CNc1ncnc(N)c1[N+](=O)[O-])NS(C)(=O)=O 155763962 MJSOQBBFTABOFK-UHFFFAOYSA-N 304.332 -0.293 5 10 DBBE C[S@@](=O)CCNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1 158499601 LNBYAWDNFCKPSS-SFHVURJKSA-N 307.353 -0.166 5 10 DBBE CO[C@@H]1C[C@@H](C(=O)O)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 262200158 VWHNYNNPMWSZEF-BDAKNGLRSA-N 312.282 -0.200 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](O)CO1 312868942 ZPRZHTCVNUANAE-QMMMGPOBSA-N 304.280 -0.100 5 10 DBBE CN(C)C[C@]1(O)CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 619255422 YFXOJRPNSCFOTH-CYBMUJFWSA-N 311.342 -0.294 5 10 DBBE O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@H]1CCNC1=O 769969431 IRLUOYMLLJABDD-VIFPVBQESA-N 321.245 -0.066 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)n1 1137984122 FQNHWCSTHJYFNZ-JTQLQIEISA-N 322.321 -0.037 5 10 DBBE NC(=O)c1cc(N2CC3(C[C@@H](O)CNC3=O)C2)ccc1[N+](=O)[O-] 1472877737 BYXWUZMQYXLKIR-SECBINFHSA-N 320.305 -0.619 5 10 DBBE CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)S(C)(=O)=O)n1 1518952644 PKXIESFNTXKRIL-ZETCQYMHSA-N 304.328 -0.026 5 10 DBBE Cn1cc(C[C@H](CO)NC(=O)c2c([N+](=O)[O-])cnn2C)cn1 1570476063 TVHCENHTIXFAPF-SECBINFHSA-N 308.298 -0.605 5 10 DBBE CN(CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1 1578561693 CLOTUEVEEIVENX-FPQZTECRSA-N 324.381 -0.101 5 10 DBBE O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC(=O)N1CC[C@H]1CO 1585223684 HHEBIGIWSJSCDW-QMMMGPOBSA-N 319.273 -0.216 5 10 DBBE O=C(N[C@H]1CCNC1=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 1618797981 KJZFGJICKNTUCP-VIFPVBQESA-N 316.277 -0.206 5 10 DBBE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCO[C@]2(CCOC2)C1 1634630295 PGQBOFNIVDGLMC-CQSZACIVSA-N 323.305 -0.226 5 10 DBBE NC(=O)CNCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 1677643091 KRBXAIKLHHTIQD-ZYHUDNBSSA-N 324.312 -0.318 5 10 DBBE C[C@]1(O)CON(S(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)C1 2093398372 MBILIRNEYVDMHH-MRVPVSSYSA-N 309.325 -0.075 5 10 DBBE C[C@@H](O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 2174119071 NDDCBLBHJYXTTD-MUWHJKNJSA-N 308.287 -0.246 5 10 DBBE COc1nccc(OCCS(=O)(=O)CCN)c1[N+](=O)[O-] 2361001634 MDSZRCIGFAKQAG-UHFFFAOYSA-N 305.312 -0.249 5 10 DBBE CC(C)NC(=O)CNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-] 50658585 UFKNKUBSYIQVST-UHFFFAOYSA-N 316.339 -0.020 5 10 DBBE C[C@H](O)[C@@H](N)CNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 80749083 PHGCKYDDKDJFHU-RCOVLWMOSA-N 307.303 -0.280 5 10 DBBE O=[N+]([O-])C(F)(COCOCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 95795138 WSZPRLKJOJINEP-UHFFFAOYSA-N 320.117 -0.670 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCO[C@]3(CCOC3)C2)c1 185167654 VWXJFCTXQPXBDL-QWHCGFSZSA-N 312.326 -0.357 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](O)CN1CCCCC1 347464852 OYVHRFBWSRFUHX-SNVBAGLBSA-N 311.342 -0.095 5 10 DBBE O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[C@]1(O)CCOC1 593636081 CCQJWNHKIAELQU-NSHDSACASA-N 317.323 -0.190 5 10 DBBE C[C@@H]1C[C@H](CN)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599099874 FXHPMYBMOVTRKQ-HTQZYQBOSA-N 303.344 -0.314 5 10 DBBE C[C@@H]1C[C@@H](CN)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599099876 FXHPMYBMOVTRKQ-SFYZADRCSA-N 303.344 -0.314 5 10 DBBE CN(CCN1CCCS1(=O)=O)c1ncc([N+](=O)[O-])c(N)n1 610588172 JFRKDGPROJSTIH-UHFFFAOYSA-N 316.343 -0.561 5 10 DBBE O=C1CCOC[C@H]1NS(=O)(=O)c1cncc([N+](=O)[O-])c1 717237608 HPWNFMZLVRWRHL-SECBINFHSA-N 301.280 -0.374 5 10 DBBE O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(C[C@H](O)CNC2=O)C1 1177691916 AXMPGYAYPSYTNC-LBPRGKRZSA-N 319.317 -0.153 5 10 DBBE O=C(NCCS(=O)(=O)C(F)(F)F)c1cc([N+](=O)[O-])n[nH]1 1632651845 PPVRYLBHSDKOLL-UHFFFAOYSA-N 316.217 -0.018 5 10 DBBE COCCn1cc(CN=c2cc[nH]cc2[N+](=O)[O-])c(O)nc1=O 1655798141 ASLDVRCQDKDPBM-UHFFFAOYSA-N 321.293 -0.068 5 10 DBBE CN1C(=O)NC2(CCN(Cc3cn(C)nc3[N+](=O)[O-])CC2)C1=O 1658082100 KDFWDWZIZUPPMX-UHFFFAOYSA-N 322.325 -0.156 5 10 DBBE Cc1cnc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc1 1672076043 DHRXTZKNCPKZOZ-GHMZBOCLSA-N 321.337 -0.887 5 10 DBBE CCNC(=O)CN1CC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 1732402397 JODWACXQYAIKJY-VXGBXAGGSA-N 324.381 -0.288 5 10 DBBE CNS(=O)(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 35085159 VDVLHILFMBFINJ-UHFFFAOYSA-N 300.340 -0.088 5 10 DBBE COCCC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)O 158558157 NMCJMJSLWJNZBP-VIFPVBQESA-N 300.271 -0.213 5 10 DBBE CCOC(=O)C[C@@H](CO)NC(=O)c1c([N+](=O)[O-])c(C)nn1C 590555675 ZLMPQMXIBZQZRR-QMMMGPOBSA-N 314.298 -0.319 5 10 DBBE NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 609623667 UKBQXACSCDCUFK-ZETCQYMHSA-N 302.312 -0.184 5 10 DBBE CN(C)C[C@@H](CO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 716780021 RNMSVSXJOFFJFX-VIFPVBQESA-N 303.340 -0.204 5 10 DBBE COCCCNC(=O)COC(=O)c1nn(C)cc1[N+](=O)[O-] 772055641 FMGIAEQZJWDYHF-UHFFFAOYSA-N 300.271 -0.362 5 10 DBBE O=C(NC[C@@]1(OCCO)CCOC1)c1n[nH]cc1[N+](=O)[O-] 1331248443 XFGDVZPGDZFAOC-NSHDSACASA-N 300.271 -0.784 5 10 DBBE Cc1cc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 1501049724 UANXITJPDGUHFB-GHMZBOCLSA-N 323.353 -0.076 5 10 DBBE CC(C)(C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1571883450 KKWXTVINVGEITO-NXEZZACHSA-N 313.354 -0.223 5 10 DBBE O=C1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C2(CN1)COC2 1625474700 FINPBUIBPRJWHB-UHFFFAOYSA-N 305.290 -0.135 5 10 DBBE COC(=O)[C@@]1(O)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 1636664133 BRVATSIACRFFRB-CYBMUJFWSA-N 309.278 -0.073 5 10 DBBE O=C(NC[C@@]12COCCN1C(=O)COC2)c1cc([N+](=O)[O-])c[nH]1 1648920078 NRQMVJXGXGFKNK-ZDUSSCGKSA-N 324.293 -0.720 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnccn1 1720479679 BCUAGANUTUDCCY-MWLCHTKSSA-N 307.310 -0.280 5 10 DBBE CN(C)CC1(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1722131551 KHKSOGJDYZJVPI-VXGBXAGGSA-N 324.381 -0.337 5 10 DBBE O=C1CN(C2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C2)CCN1 1891017411 OCWIEPAXQUZTFN-UHFFFAOYSA-N 322.296 -0.010 5 10 DBBE O=C(O)C(Cl)=C(Cl)C(=O)NC(=O)N1CC([N+](=O)[O-])C1 2139051267 KNQDKSFEHKWWDN-UHFFFAOYSA-N 312.065 -0.043 5 10 DBBE CNS(=O)(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 2187306638 IVVUXGDSJAYIOD-UHFFFAOYSA-N 302.312 -0.693 5 10 DBBE C[C@H]1CNCCN1S(=O)(=O)Nc1ncccc1[N+](=O)[O-] 2202432732 VQMWZJJJSXANSX-QMMMGPOBSA-N 301.328 -0.060 5 10 DBBE CS(=O)(=O)N1CC(CN=c2cc(N)c([N+](=O)[O-])c[nH]2)C1 2233046164 TWYODXDQVJIGER-UHFFFAOYSA-N 301.328 -0.703 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2CNC[C@H](F)C2)c1 2234650482 JLHDDHIZYRYCEX-HTQZYQBOSA-N 304.303 -0.032 5 10 DBBE O=[N+]([O-])c1c[nH]cc(Cl)c1=N[C@H]1C[C@@H](CO)[C@H](O)[C@@H]1O 2355673676 IIAPYCGMPNKOBD-UGFAFLPCSA-N 303.702 -0.420 5 10 DBBE CN(C)C(=O)CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 268362366 CZNORUFWKZUTGU-UHFFFAOYSA-N 323.357 -0.433 5 10 DBBE C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593579772 ARONLZGIURGTPH-MRVPVSSYSA-N 314.323 -0.159 5 10 DBBE COc1cc(OCC(=O)N[C@H]2CCNC2=O)ccc1[N+](=O)[O-] 597857941 WMCHLKSARRDDQV-VIFPVBQESA-N 309.278 -0.013 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)n1 599338628 GSWGBUFGDFPMTJ-BHNWBGBOSA-N 302.312 -0.074 5 10 DBBE NS(=O)(=O)c1cn(C[C@@H]2CCCS2(=O)=O)nc1[N+](=O)[O-] 694395164 COFGIEXBRFDPOQ-LURJTMIESA-N 324.340 -0.984 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)OCCN2CCCS2(=O)=O)n1 772060653 ZRCZUOPMNMICDN-UHFFFAOYSA-N 318.311 -0.479 5 10 DBBE O=C(NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1[C@H]2COC[C@H]21 851330215 VSKPWZFFZOYZFJ-QMSLJYSESA-N 313.291 -0.313 5 10 DBBE COC(CN(CCCO)C(=O)c1nn(C)cc1[N+](=O)[O-])OC 1324417676 SSZJDXHYTONUID-UHFFFAOYSA-N 316.314 -0.228 5 10 DBBE Cc1nc2n(n1)C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)CC2 1325833834 KAPTZRPUSMTUSF-MRVPVSSYSA-N 306.286 -0.783 5 10 DBBE COc1ccc([N+](=O)[O-])c(C(=O)N2CC(S(N)(=O)=O)C2)c1 1468917161 MFMSIQTXCIWFKM-UHFFFAOYSA-N 315.307 -0.284 5 10 DBBE Cc1cc(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 1523406226 ONKQWJLKLZVZIS-MWLCHTKSSA-N 309.326 -0.038 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CC(=O)N(C2CC2)C1 1546123350 PAQWMNOQSYMTNK-QMMMGPOBSA-N 308.298 -0.687 5 10 DBBE O=C(CN1CCCC1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1583311129 QAZRGAMBGLAWHN-NUYITTKVSA-N 310.354 -0.464 5 10 DBBE CCn1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1736901317 PTZUGFLJEBWTJR-GHMZBOCLSA-N 309.326 -0.196 5 10 DBBE O=C(NCCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1744085998 RLCDDFVPVHCBRN-CHWSQXEVSA-N 324.381 -0.288 5 10 DBBE CN1C(=O)[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]2C1=O 1889746093 RZNIWZGYLJIJAX-IUCAKERBSA-N 304.262 -0.323 5 10 DBBE O=C(O)CCS(=O)(=O)CCn1ccc(=O)c([N+](=O)[O-])c1 2145531146 KSCGRJUZAQDECJ-UHFFFAOYSA-N 304.280 -0.354 5 10 DBBE NC1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])COC1 2151385689 UEGKVWSNOOFVRN-UHFFFAOYSA-N 305.287 -0.260 5 10 DBBE NC1CN(S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 2159019871 CMCPEDKNRVIUPR-UHFFFAOYSA-N 300.340 -0.385 5 10 DBBE O=[N+]([O-])c1cccc(S(=O)(=O)NCCC(CO)CO)c1 2184376002 XKFIBVYHDPSESW-UHFFFAOYSA-N 304.324 -0.136 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C2CC(CO)C2)n1 2240653647 JBGXNEPBOMYDNM-UHFFFAOYSA-N 304.328 -0.481 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=N[C@@H](C)CS(N)(=O)=O)[nH]1 2286730074 QIJCMDQHHZMCIA-LURJTMIESA-N 305.316 -0.958 5 10 DBBE CO[C@@H](CCS(C)(=O)=O)CN=c1nc([N+](=O)[O-])[nH]n1C 2364228483 NBFNTBIQEWDCHA-ZETCQYMHSA-N 307.332 -0.993 5 10 DBBE C[C@@H](O)CNCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 132271854 LDIGTMWHMSGIAQ-MRVPVSSYSA-N 321.330 -0.017 5 10 DBBE C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] 594791980 BHTGGRHHBCFTCH-ZETCQYMHSA-N 300.296 -0.202 5 10 DBBE NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 615930950 ASBDCJWPXZWYDZ-SBMIAAHKSA-N 307.310 -0.096 5 10 DBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CNOC1 722499775 DAEZKMDLKTUOSL-SSDOTTSWSA-N 303.296 -0.215 5 10 DBBE COCCOC[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1116147419 NDCIHELVQAFPCF-SNVBAGLBSA-N 313.314 -0.302 5 10 DBBE CN(CC(=O)NC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1283307693 RULMVHZLKWRVFW-CHWSQXEVSA-N 324.381 -0.147 5 10 DBBE Cc1nn(C)c(N2CC[C@@H](CS(N)(=O)=O)C2)c1[N+](=O)[O-] 1458664777 KIMWOTYNJIMELY-MRVPVSSYSA-N 303.344 -0.248 5 10 DBBE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] 1465288139 QITMQOCYXHUERK-NKWVEPMBSA-N 302.312 -0.035 5 10 DBBE CCN(CC(N)=O)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1505396657 LJRINRIFZNASCJ-VXGBXAGGSA-N 312.370 -0.303 5 10 DBBE COc1cncc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1522901344 IODCAVUVWMJMEA-PSASIEDQSA-N 323.309 -0.614 5 10 DBBE CCC[C@@H](O)[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])nc1C 1638801875 QUZGSCPMBYDEBD-VHSXEESVSA-N 300.315 -0.262 5 10 DBBE CCOC(=O)[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CCO1 1640156182 NKTZSMMBPCPHSJ-SNVBAGLBSA-N 324.293 -0.024 5 10 DBBE O=C(CN1CCCC1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1702498244 VIZQBGRVNXBSLO-YVECIDJPSA-N 324.381 -0.242 5 10 DBBE O=C(c1cn2cc([N+](=O)[O-])ccc2n1)N1CCN(CCO)CC1 1860401912 DHAGBMXWZOQAPI-UHFFFAOYSA-N 319.321 -0.007 5 10 DBBE CS(=O)(=O)C1CN(c2nccc(C(=O)O)c2[N+](=O)[O-])C1 2152285451 QQOKILWJRAFMGK-UHFFFAOYSA-N 301.280 -0.079 5 10 DBBE O=[N+]([O-])c1c(Cl)nc[nH]c1=NCCNS(=O)(=O)C1CC1 2158558739 WVSSHUHKVLAMJH-UHFFFAOYSA-N 321.746 -0.046 5 10 DBBE Cc1[nH]c(=N)nc(N2CC[C@H](S(C)(=O)=O)C2)c1[N+](=O)[O-] 2179890721 NUGWNXIWYOUNFQ-ZETCQYMHSA-N 301.328 -0.271 5 10 DBBE O=[N+]([O-])c1ccc(Cl)nc1N1C[C@H](O)[C@H](O)[C@@H](CO)C1 2289401291 PWMBVCIJJVICLI-KDILMLJESA-N 303.702 -0.207 5 10 DBBE CS(=O)(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)O 2360572819 WWSVJDXKTIBBIL-YFKPBYRVSA-N 322.320 -0.116 5 10 DBBE C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)C(=O)O 20020485 PEGUIDNKOHOUIF-MLUIRONXSA-N 320.279 -0.587 5 10 DBBE NNc1cccc(S(=O)(=O)NCCCC(N)=O)c1[N+](=O)[O-] 126699712 YDLIXLFNLSEKLV-UHFFFAOYSA-N 317.327 -0.576 5 10 DBBE O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 236598988 QPZPNWUEJGKKAP-IUCAKERBSA-N 322.726 -0.026 5 10 DBBE CN(CCCO)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1 305927937 CUYFHCNJAQJKDY-UHFFFAOYSA-N 304.328 -0.117 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1(O)CCOCC1 594762956 REXVBPGQLZKEQE-UHFFFAOYSA-N 317.323 -0.190 5 10 DBBE CC(C)[C@@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O 605695275 DNAWGBOKUFFVMB-CZLWFNLXSA-N 315.366 -0.315 5 10 DBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CNOC1 722501477 PUSRYVITRSSODR-ZETCQYMHSA-N 303.296 -0.215 5 10 DBBE CNC(=O)N1CCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)CC1 1296422314 BKOJQZHLASERSX-UHFFFAOYSA-N 310.314 -0.417 5 10 DBBE CN1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@@H](CO)C1 1454220496 KWIFPOWJDQWEHB-ZCFIWIBFSA-N 303.706 -0.280 5 10 DBBE Cc1c(C(=O)NC[C@]2(CO)COCCN2)cccc1[N+](=O)[O-] 1557959854 DBNUIQXHWFCTNH-AWEZNQCLSA-N 309.322 -0.016 5 10 DBBE Cc1c(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cnn1C 1689582553 AFFBRBOODUOVAN-MWLCHTKSSA-N 321.337 -0.228 5 10 DBBE CCN(CCNC(=O)c1nc(C)c[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737801335 LVIUIZVTBIPJAY-NXEZZACHSA-N 309.326 -0.038 5 10 DBBE C[C@@H](O)CNC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872613913 JTPLVVCRAORGKW-MRVPVSSYSA-N 317.323 -0.630 5 10 DBBE CS(=O)(=O)c1nn(-c2cnccc2[N+](=O)[O-])cc1C(N)=O 2080300909 XCDAXHCPZBZYOX-UHFFFAOYSA-N 311.279 -0.322 5 10 DBBE O=[N+]([O-])c1c(F)nc[nH]c1=NCCNS(=O)(=O)C1CC1 2158557848 MYVJMOGRVIOVLZ-UHFFFAOYSA-N 305.291 -0.561 5 10 DBBE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ncnc(N)c1[N+](=O)[O-] 2170281849 CICOYAVDZNLKRD-BQBZGAKWSA-N 301.328 -0.021 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=NC[C@@H](C)S(C)(=O)=O)[nH]1 2286638719 HANZMTLSPRFQSR-SSDOTTSWSA-N 304.328 -0.202 5 10 DBBE COCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 70302127 MRLXWIBUOIKFMO-MRVPVSSYSA-N 319.295 -0.242 5 10 DBBE CS(=O)(=O)NCCNc1ncc([N+](=O)[O-])cc1C(=O)O 235030285 IEBMSSJRYLHRBU-UHFFFAOYSA-N 304.284 -0.351 5 10 DBBE COC(=O)[C@@H](C)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599294666 MEQHKZZHVCKGNL-ZCFIWIBFSA-N 306.300 -0.490 5 10 DBBE CNC[C@@H](O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 708893116 PWNQUMQJPSMMSE-SNVBAGLBSA-N 303.340 -0.204 5 10 DBBE Cc1nnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)n1C 1332594416 NGXRSIHYRJRHBE-UHFFFAOYSA-N 312.311 -0.095 5 10 DBBE CNC(=O)CN1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 1463980738 WUGWCZGWUWFYMH-UHFFFAOYSA-N 324.341 -0.732 5 10 DBBE COC(=O)C1(O)CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 1558059995 LIFGPFQDGBNTPD-UHFFFAOYSA-N 309.278 -0.155 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncccn1 1582946340 FJDVBSHMLVRKJS-NXEZZACHSA-N 307.310 -0.328 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1C(=O)CCC1=O 1628116844 WZONZFMFUOOBFR-UHFFFAOYSA-N 309.282 -0.635 5 10 DBBE O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](O)[C@H](CO)C1 1642949064 ZQXYBWLWGRJVON-WCFLWFBJSA-N 310.306 -0.170 5 10 DBBE CCN(CCNC(=O)c1c(C)ncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1688404683 CECVQCWJFVTZIE-GHMZBOCLSA-N 323.353 -0.028 5 10 DBBE Cc1ncccc1CC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703178597 USCUKRPZLVXALK-VXGBXAGGSA-N 306.322 -0.170 5 10 DBBE NC1CC(C(=O)O)(n2nc([N+](=O)[O-])nc2Br)C1 1941367384 KJTVMKJPODQGDN-UHFFFAOYSA-N 306.076 -0.150 5 10 DBBE CC[C@@H](CS(C)(=O)=O)Nc1ncnc(NN)c1[N+](=O)[O-] 2146299891 PRDBROFZLGVOED-LURJTMIESA-N 304.332 -0.095 5 10 DBBE O=[N+]([O-])c1c(Cl)ncnc1N[C@@H]1C[C@H](CO)[C@H](O)[C@@H]1O 2177944972 PLGZLUBPZNTGAJ-HXOWADHMSA-N 304.690 -0.447 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNS(=O)(=O)C[C@@H]2CC[C@H]2O)n1 2240654961 WZYHVAIMFJNEED-OIBJUYFYSA-N 304.328 -0.481 5 10 DBBE Nc1cc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Cl)cc1[N+](=O)[O-] 2358573635 NBWDTEOEFRPKEF-AXFHLTTASA-N 303.702 -0.267 5 10 DBBE NC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 228579137 UIMIFGWURNFOCY-QMMMGPOBSA-N 323.714 -0.627 5 10 DBBE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CNC(=O)C2)c1 229363371 HMDBJTSTJCPINH-SSDOTTSWSA-N 300.296 -0.656 5 10 DBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CC(=O)N(C)C(=O)C2)n1 287077862 YDBLQQHUBHGGOJ-UHFFFAOYSA-N 308.250 -0.419 5 10 DBBE O=C1C[C@@]2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CN1 580991286 AMAZUKPJJZSSRX-ZDUSSCGKSA-N 307.310 -0.080 5 10 DBBE Nc1ncnc(N2CCC(S(N)(=O)=O)CC2)c1[N+](=O)[O-] 707418164 QYEPVIMIZKTCQT-UHFFFAOYSA-N 302.316 -0.776 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCNC[C@@H]2O)cc1 710418013 KUYGSKJSISOQJM-QWRGUYRKSA-N 301.324 -0.404 5 10 DBBE COCc1cc([N+](=O)[O-])ccc1N1CCN(CC(N)=O)C(=O)C1 840335846 BSRANLGKZCLGSM-UHFFFAOYSA-N 322.321 -0.125 5 10 DBBE O=C(N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1127448929 OBUHMQSGKKAFSY-XNDJQWLSSA-N 318.351 -0.496 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)C[C@H]2CCCO2)n1 1320083755 UFIVWTXWSODWPH-SSDOTTSWSA-N 318.311 -0.433 5 10 DBBE COC[C@@H](COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)OC 1329404564 NJWLFAJREGGADU-JTQLQIEISA-N 300.267 -0.039 5 10 DBBE C[C@@]1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCS1(=O)=O 1516728864 NLHQBTYUFIUEGM-NSHDSACASA-N 316.339 -0.125 5 10 DBBE C[C@H]1CN(CCO)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] 1559211050 FWSFCKJCJCEXCI-VIFPVBQESA-N 309.326 -0.409 5 10 DBBE Cc1nn(CCC(=O)N2C[C@H](O)[C@@H](CO)C2)c(C)c1[N+](=O)[O-] 1629600149 ACCLFEKJWZYRCT-MNOVXSKESA-N 312.326 -0.390 5 10 DBBE CCN(C)C(=O)CNC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1675740037 WFTTUTGSRSUDSA-DDHJBXDOSA-N 312.370 -0.386 5 10 DBBE NC(=O)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1702055671 WBKKDNCBXZSRDL-GHMZBOCLSA-N 324.337 -0.808 5 10 DBBE Cc1cc(CC(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 1738041017 FZBPUBPZJGSQQB-VXGBXAGGSA-N 322.321 -0.235 5 10 DBBE O=C(Cc1cnc[nH]1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1739083931 BPOVBBVRZYHKDX-NXEZZACHSA-N 307.310 -0.618 5 10 DBBE O=[N+]([O-])c1cnc(Cl)[nH]c1=N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2118026484 WXAAKOFFFYNKIR-KCQQBQQISA-N 304.715 -0.085 5 10 DBBE CC1(CO)CN(S(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)C1 2157305596 FJFLIKYLKDAABI-UHFFFAOYSA-N 322.368 -0.055 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NCC(CO)CO)ccc1F 2179743743 SUXWSMOKIPXQMD-UHFFFAOYSA-N 308.287 -0.387 5 10 DBBE CS(=O)(=O)[C@H]1COC[C@@H]1Nc1ccnc(O)c1[N+](=O)[O-] 2207460335 KDYITWPMVGGPOJ-YUMQZZPRSA-N 303.296 -0.081 5 10 DBBE C[C@@H](O)CN(CCN)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2285470418 OGJBVXOQLNUXBW-SECBINFHSA-N 303.340 -0.075 5 10 DBBE NC(CO)(CO)CNC(=O)c1cccc([N+](=O)[O-])c1Cl 2286180099 YDGGQOJYAJFKLL-UHFFFAOYSA-N 303.702 -0.340 5 10 DBBE COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(=O)N(C)C1 361160951 DQSXANKSCJEWAN-UHFFFAOYSA-N 322.277 -0.200 5 10 DBBE NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(CCCCO)CC1 742410788 AXQUPXHMJCETNW-UHFFFAOYSA-N 323.353 -0.017 5 10 DBBE Cn1ncc2c(=O)n(CC(=O)OCC(C)(C)[N+](=O)[O-])cnc21 851123232 OEMZERQGUYGBDX-UHFFFAOYSA-N 309.282 -0.272 5 10 DBBE COC(=O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 1118307374 FAGAPZKFXNCAAV-UHFFFAOYSA-N 301.280 -0.026 5 10 DBBE Cn1cc(O)c(=O)cc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 1163754352 MIASKMWORZREMY-UHFFFAOYSA-N 307.266 -0.488 5 10 DBBE CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(C)nn1 1266042626 JOCDABICFWPKFV-VXGBXAGGSA-N 310.358 -0.192 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)S(C)(=O)=O)n1 1320572775 HPQPAGJJMLWCCQ-UHFFFAOYSA-N 304.328 -0.119 5 10 DBBE O=[N+]([O-])c1cnn(CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1326487255 TXBWHVWWGRJRKI-NSHDSACASA-N 316.339 -0.362 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](Cn2ccnn2)C1 1331230870 YNJLSSIAFTWJMR-SECBINFHSA-N 306.286 -0.674 5 10 DBBE COCCN1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1=O 1617577333 OBDJSGAHJGGTFW-UHFFFAOYSA-N 309.282 -0.540 5 10 DBBE O=C1NCC2(CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)O1 1626943980 MNAVFGOJXKKDRB-SNVBAGLBSA-N 307.262 -0.051 5 10 DBBE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1CCNC1=O 1707376386 KPMVYHQNVLSZFU-GHMZBOCLSA-N 313.358 -0.885 5 10 DBBE O=C(NCC(O)(CO)CO)c1ccnc(Cl)c1[N+](=O)[O-] 1913800596 LKEHGBSVZARTSQ-UHFFFAOYSA-N 305.674 -0.911 5 10 DBBE O=C(O)[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O 1940174731 HQGNRATVUVZGCI-ZCFIWIBFSA-N 307.056 -0.036 5 10 DBBE Nc1cc(S(=O)(=O)N2C[C@H](O)[C@H](F)C2)ccc1[N+](=O)[O-] 2149265845 FIZBFZPWDKHZJU-XCBNKYQSSA-N 305.287 -0.120 5 10 DBBE O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC(O)(CO)C1 2171956477 IGDWDULWAWNYDH-UHFFFAOYSA-N 302.308 -0.536 5 10 DBBE O=[N+]([O-])c1ccc(S(=O)(=O)NC2(CO)CC(O)C2)cc1 2193971826 WHULWINOGOEINN-UHFFFAOYSA-N 302.308 -0.241 5 10 DBBE Cn1cc([N+](=O)[O-])c(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)n1 2196047080 IVBNTEHPBPEGRG-GZMMTYOYSA-N 300.340 -0.053 5 10 DBBE Cc1nc([N+](=O)[O-])c(N[C@@H]2COC[C@@H]2S(C)(=O)=O)n1C 2207482706 MHIDLVIWOWPIQV-SFYZADRCSA-N 304.328 -0.139 5 10 DBBE CCn1c(C)nc([N+](=O)[O-])c1NCC1(O)CS(=O)(=O)C1 2283074181 OYGTXLFKHHXQBH-UHFFFAOYSA-N 304.328 -0.309 5 10 DBBE NS(=O)(=O)CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 36745896 ALSWEFODZWRBSK-UHFFFAOYSA-N 316.295 -0.374 5 10 DBBE COc1ccc(S(=O)(=O)NC(C)(CO)CO)cc1[N+](=O)[O-] 126261939 BXKNHPCBVVTLGO-UHFFFAOYSA-N 320.323 -0.375 5 10 DBBE C[C@@H](O)CNCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 132252542 PQVWRFVHZAYSQS-SNVBAGLBSA-N 317.367 -0.015 5 10 DBBE Nc1cnc([N+](=O)[O-])cc1C(=O)N1CCS(=O)(=O)CC1 312220097 ZUWAPYWFLYETMV-UHFFFAOYSA-N 300.296 -0.557 5 10 DBBE O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1COC[C@@H]1O 323504240 OZGXLXRTWYZMBN-SFYZADRCSA-N 306.271 -0.228 5 10 DBBE CN1CC[C@H]2OCCN(C(=O)c3c([N+](=O)[O-])cnn3C)[C@@H]2C1 408040114 CZSSZWDQWZJGDK-GHMZBOCLSA-N 309.326 -0.127 5 10 DBBE O=C(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)NCCO 448269870 KVJUWKUJWRFRAO-UHFFFAOYSA-N 306.278 -0.086 5 10 DBBE NC(=O)[C@@]1(O)CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 586810675 NRTLDLWYNGHAOU-CQSZACIVSA-N 323.305 -0.188 5 10 DBBE COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 593640877 SHJPRPQMFMNYFI-NXEZZACHSA-N 317.323 -0.240 5 10 DBBE C[C@@H](O)[C@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCO1 594784045 ZPSREHKHFGEPQV-PSASIEDQSA-N 317.323 -0.240 5 10 DBBE O=C(N[C@H]1CCNC1=O)c1cc([N+](=O)[O-])cc2c1OCCO2 597858445 YMAZQXPCCPRWTA-VIFPVBQESA-N 307.262 -0.016 5 10 DBBE O=C(Cn1nccn1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 941012631 GXNHFGQSHXDEGV-GHMZBOCLSA-N 322.325 -0.996 5 10 DBBE CN(C(=O)Cn1c([N+](=O)[O-])nc2c1c(O)nc(=O)n2C)C1CC1 1166983978 JVPNWLYENBOIQQ-UHFFFAOYSA-N 322.281 -0.635 5 10 DBBE Cn1cc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)nn1 1326821712 HKQVZRAVCNQFOW-GHMZBOCLSA-N 308.342 -0.391 5 10 DBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCNS(C)(=O)=O 1443768818 GMPNLHPECOGIPU-UHFFFAOYSA-N 319.343 -0.893 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](CO)[C@H]2CO)c1 1620463928 ZDYWAJIQEDRGDR-WCFLWFBJSA-N 314.342 -0.783 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(CCCO)C2)n1 1636936433 DSURUTJCDBCYBS-SNVBAGLBSA-N 311.342 -0.095 5 10 DBBE O=C(NC1CN(C(=O)COCC(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1688608265 LNGINGDERUXBJK-HTQZYQBOSA-N 307.253 -0.740 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1[C@H]2COC[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 1689328824 PHHYYZNAJASNLU-OTROTLHHSA-N 309.322 -0.667 5 10 DBBE C[S@@](=O)(=NS(=O)(=O)c1cncc([N+](=O)[O-])c1)C1CNC1 1924600969 UYNYPZOFHJTUNM-IBGZPJMESA-N 320.352 -0.252 5 10 DBBE Cn1cc([N+](=O)[O-])c(CNC2CC3(C2)CS(=O)(=O)C3)n1 2159117397 VCMLNWOTEQECBU-UHFFFAOYSA-N 300.340 -0.005 5 10 DBBE O=[N+]([O-])c1cncc(S(=O)(=O)N2CC[C@H](O)[C@@H](O)C2)c1 2188677338 FHMMSRPLHWHWRU-UWVGGRQHSA-N 303.296 -0.894 5 10 DBBE CN(CCS(=O)(=O)N(C)C)Cc1nn(C)cc1[N+](=O)[O-] 2196038179 QZUCZSJVMCXZHA-UHFFFAOYSA-N 305.360 -0.349 5 10 DBBE CS(=O)(=O)N1CC(CNc2[nH]c(=N)ccc2[N+](=O)[O-])C1 2233081262 DDICTJHAEHNKJJ-UHFFFAOYSA-N 301.328 -0.294 5 10 DBBE NCCS(=O)(=O)CCOc1nc(Cl)ncc1[N+](=O)[O-] 2335749591 FQFUYJHWQJFBDY-UHFFFAOYSA-N 310.719 -0.210 5 10 DBBE CNc1ccc(S(=O)(=O)NCc2nnn[nH]2)c([N+](=O)[O-])c1 50672793 URIYOPNLRDUIDN-UHFFFAOYSA-N 313.299 -0.372 5 10 DBBE CS(=O)(=O)N1CCN(c2nc(N)ncc2[N+](=O)[O-])CC1 235041796 KDSRVGGWHXEYQH-UHFFFAOYSA-N 302.316 -0.951 5 10 DBBE Nc1ccc(S(=O)(=O)N[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] 323748408 SNQXESKMXQSNCC-SCZZXKLOSA-N 303.296 -0.785 5 10 DBBE O=C(NC[C@@H]1CN2CCCN1CC2)c1cnc(O)c([N+](=O)[O-])c1 590355366 SWZPDVXOHIYSKV-LLVKDONJSA-N 321.337 -0.185 5 10 DBBE COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H](C)O1 599151879 PHAJQQGIKLFKON-XCBNKYQSSA-N 324.293 -0.145 5 10 DBBE C[C@H]1C(=O)N(C)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599336294 KTSVROGXNFZSGE-LURJTMIESA-N 303.300 -0.863 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(c3nn[nH]n3)CC2)n1 1152486434 TYMOCZIOVGZVDQ-UHFFFAOYSA-N 306.286 -0.139 5 10 DBBE CNC(=O)Cn1nc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1C 1153317743 RTCYPDJCAOUCNR-UHFFFAOYSA-N 321.297 -0.168 5 10 DBBE CNS(=O)(=O)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1154537052 MJPCEKYTZVBNRP-JTQLQIEISA-N 317.323 -0.706 5 10 DBBE CN1CC[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 1299743418 GZDPRYGRMAXJFB-JTQLQIEISA-N 322.321 -0.259 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](O)CS(C)(=O)=O 1458671135 YFPQACUMJUMCSS-MRVPVSSYSA-N 306.344 -0.063 5 10 DBBE COc1cc(C(=O)N[C@H]2CN(C)NC2=O)c([N+](=O)[O-])cc1F 1466410164 ODUGIRRXQUMICH-QMMMGPOBSA-N 312.257 -0.183 5 10 DBBE NS(=O)(=O)NC1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 1470764979 WDAIWQKMLONTHQ-UHFFFAOYSA-N 300.296 -0.788 5 10 DBBE CCN(CCCNC(=O)c1cnnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1492938450 GAUJYAXGCSCDSW-NXEZZACHSA-N 324.341 -0.551 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1cncn1 1496740287 YXCDCQUKKPSFKK-GHMZBOCLSA-N 324.341 -0.702 5 10 DBBE CCN(CCNC(=O)Cc1cncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1528969131 KPTZBQVJRVWGDR-VXGBXAGGSA-N 323.353 -0.408 5 10 DBBE CN(Cc1nncn1C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1556874943 PUMSAAQYMSKCDD-UHFFFAOYSA-N 306.282 -0.456 5 10 DBBE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cnn[nH]1 1582947069 IMQPAAICTXFQEG-GHMZBOCLSA-N 324.341 -0.681 5 10 DBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2C2OCCO2)c1 1660412426 PRSHOLICVRMNCT-RYUDHWBXSA-N 312.326 -0.011 5 10 DBBE CN1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(=O)n(C)c3)C[C@H]2C1 1889806129 KBOZLEKZMXQJIV-PHIMTYICSA-N 306.322 -0.073 5 10 DBBE N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2154387293 ATDPKBXBTUYEAQ-XJZHNMMOSA-N 320.352 -0.123 5 10 DBBE CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CS(=O)(=O)C[C@@H]1O 2177814124 VHMSUWPZOGBINU-YUMQZZPRSA-N 304.328 -0.311 5 10 DBBE C[C@@H]1CNCCN1S(=O)(=O)Nc1cc([N+](=O)[O-])ccn1 2202450832 RZXULAMZQOJXSX-MRVPVSSYSA-N 301.328 -0.060 5 10 DBBE CCS(=O)(=O)N(C)CCN=c1[nH]c(C)ncc1[N+](=O)[O-] 2286610039 HMGKVRIEXNAWPB-UHFFFAOYSA-N 303.344 -0.191 5 10 DBBE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O 19232367 QMDRKHCGNYNHDR-CDUCUWFYSA-N 322.270 -0.154 5 10 DBBE CS(=O)(=O)N1CCN(c2ncnc(N)c2[N+](=O)[O-])CC1 149735010 LPIQTUFHKHGXMO-UHFFFAOYSA-N 302.316 -0.951 5 10 DBBE O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](O)CO)sc1Cl 157436223 ONABAZBOGIVUTH-SCSAIBSYSA-N 316.744 -0.059 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)NCCCN1CCCCC1=O 358920763 DVPCGJLGOSLVMS-UHFFFAOYSA-N 310.314 -0.295 5 10 DBBE O=C(O)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCS1 699234345 LEAZPWWCNHZRJZ-QMMMGPOBSA-N 300.296 -0.180 5 10 DBBE CN([C@H]1COC[C@@H]1O)S(=O)(=O)c1cc([N+](=O)[O-])c(N)s1 708203191 QLWHXRLCTGIZJR-BQBZGAKWSA-N 323.352 -0.381 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](O)C[C@@]1(C)CO 1167396655 FSSKGXINYOCDLS-MFKMUULPSA-N 312.326 -0.166 5 10 DBBE C[C@H](CN1CCN(C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1319873828 SXBYMSHUMQRLDH-SNVBAGLBSA-N 310.358 -0.306 5 10 DBBE CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cnnn1C 1356051624 WUDZJPKMZOVEKH-RKDXNWHRSA-N 310.314 -0.941 5 10 DBBE CCS(=O)(=O)C1CN(C(=O)c2cc([N+](=O)[O-])cnc2O)C1 1457803505 HIWZTIICJJVNTP-UHFFFAOYSA-N 315.307 -0.046 5 10 DBBE O=C(NCCCN(Cc1nc(O)n[nH]1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1479869209 UCTWOEQAPPYZRJ-NXEZZACHSA-N 324.341 -0.354 5 10 DBBE Cn1c(=O)c2c(=O)c([N+](=O)[O-])c3n(c2n(C)c1=O)CCCN3 1615036561 QHQJIEHXKVPGJF-UHFFFAOYSA-N 307.266 -0.877 5 10 DBBE O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 1633951309 AGRCKPBXQQUJAM-YUMQZZPRSA-N 314.323 -0.175 5 10 DBBE Cc1cc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 1742763809 BQTANGURBOLLCG-NXEZZACHSA-N 309.326 -0.370 5 10 DBBE CCCN(C)CC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1759969924 SPLLZCSSERRJEQ-VXGBXAGGSA-N 312.370 -0.337 5 10 DBBE CS(=O)(=O)C[C@H]1C[C@@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])C1 2171317417 RWTRVPIVUSPOHQ-KNVOCYPGSA-N 301.328 -0.546 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@](C)(N)CO 2181129096 KZBDRPCGYVFHKQ-LLVKDONJSA-N 303.340 -0.109 5 10 DBBE Cc1c([N+](=O)[O-])c(=NCCNS(=O)(=O)C2CC2)[nH]n1C 2207477138 TVARJWQUQUVTJZ-UHFFFAOYSA-N 303.344 -0.448 5 10 DBBE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H](CN(C)C)C1 116783509 JSPBUODAQKRFDZ-LLVKDONJSA-N 311.342 -0.111 5 10 DBBE NNc1cc(C(=O)NCCNC(N)=O)c([N+](=O)[O-])cc1F 147486744 GMPHMKVKWBITGL-UHFFFAOYSA-N 300.250 -0.582 5 10 DBBE CNc1nc(C)c([N+](=O)[O-])c(NCCCS(N)(=O)=O)n1 234492864 DEIWTKJSEUAQHL-UHFFFAOYSA-N 304.332 -0.175 5 10 DBBE O=C(c1cc([N+](=O)[O-])cnc1O)N1CCN2C[C@H](O)C[C@H]2C1 405324855 WOFKEZXHAZFPPA-VHSXEESVSA-N 308.294 -0.414 5 10 DBBE O=C(Cc1nn[nH]n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 408496599 HFDUORNLCJMGOU-UHFFFAOYSA-N 317.309 -0.001 5 10 DBBE N[C@H]([C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(C(=O)O)C(=O)O 514284361 GEQBBGGANDSSEX-KXUCPTDWSA-N 314.250 -0.898 5 10 DBBE CNCCOCCNC(=O)NCCn1cc([N+](=O)[O-])cn1 599921274 QMGMRPVWWSAVMH-UHFFFAOYSA-N 300.319 -0.674 5 10 DBBE N[C@@H](CS(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)O 691713606 IMXKQLNSTFVYOE-ZETCQYMHSA-N 307.259 -0.113 5 10 DBBE C[C@H](C[N+](=O)[O-])OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 814037893 IRVOTVWEZVKJDE-NCZXBJOZSA-N 312.278 -0.643 5 10 DBBE Cn1c(=O)nc(O)c2c1nc([N+](=O)[O-])n2CN1CCCCC1=O 1190310025 FRSWAVRPZLRCKK-UHFFFAOYSA-N 322.281 -0.286 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)n1 1326789495 ZPZOROBPCLGLBK-SSDOTTSWSA-N 320.313 -0.153 5 10 DBBE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(C2)OCCO3)n1 1329208571 GQNXJLJZJVONCL-UHFFFAOYSA-N 318.311 -0.534 5 10 DBBE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1O 1331554231 FQZMRFFCMCKYIJ-CBAPKCEASA-N 304.328 -0.280 5 10 DBBE O=C(Cc1cnoc1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1533491762 HHPANNOSWMGBFP-COUIAZAYSA-N 308.294 -0.329 5 10 DBBE O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)c1ccc([N+](=O)[O-])[nH]1 1636389230 BIDCSFOFOJHQQQ-XFFJFQIUSA-N 318.245 -0.494 5 10 DBBE NC(=O)[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C(N)=O 1651240394 JFJLSAIRHNBNMV-BQBZGAKWSA-N 314.248 -0.104 5 10 DBBE CN(C)CCCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1738751402 SAPBLEZZZXKLGX-GHMZBOCLSA-N 312.370 -0.242 5 10 DBBE Cn1[nH]c([N+](=O)[O-])nc1=NC1CC(CCS(C)(=O)=O)C1 2233932266 CVBFJFOJTNFIRI-UHFFFAOYSA-N 303.344 -0.230 5 10 DBBE CCn1cc([N+](=O)[O-])c(=NC[C@H]2CCS(=O)(=O)N2C)[nH]1 2239201687 DVCODUFNWLCWDX-MRVPVSSYSA-N 303.344 -0.321 5 10 DBBE Cc1ncc([N+](=O)[O-])c(=NCC2CN(S(C)(=O)=O)C2)[nH]1 2286681861 LCQSVQNMJBTZAO-UHFFFAOYSA-N 301.328 -0.582 5 10 DBBE CNC(=O)CCNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F 50674154 PMPAMWOLYITMTK-UHFFFAOYSA-N 320.302 -0.270 5 10 DBBE NNc1ccc(S(=O)(=O)NCc2nc[nH]n2)c([N+](=O)[O-])c1 80644945 PVGWLVNLRBBFGM-UHFFFAOYSA-N 313.299 -0.523 5 10 DBBE O=C(O)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 90262849 ZVZLNBNQJKALIX-SSDOTTSWSA-N 324.698 -0.028 5 10 DBBE Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(CO)CO 126251585 JTQMOOUYCYQKDW-UHFFFAOYSA-N 304.324 -0.075 5 10 DBBE C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCN1CCO 187270832 DLFBTQXKJNFVIJ-LLVKDONJSA-N 311.342 -0.294 5 10 DBBE COC(=O)[C@H](O)CNC(=O)c1cc([N+](=O)[O-])cnc1Cl 234570224 ANZZNEDBRCNGRT-SSDOTTSWSA-N 303.658 -0.093 5 10 DBBE CC(CO)(CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 313610838 CVCHPTLPXZFQCP-UHFFFAOYSA-N 308.287 -0.245 5 10 DBBE COC(=O)[C@@H](CO)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 351967326 KNTALTNCFKEQNG-SNVBAGLBSA-N 318.307 -0.452 5 10 DBBE O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 377741144 LVOKNZNUGQHETB-JHJVBQTASA-N 312.370 -0.826 5 10 DBBE CC(C)OC[C@@H](CO)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 432579991 QUNCLQXANVUDMD-SECBINFHSA-N 301.303 -0.569 5 10 DBBE CNc1nccc(C(=O)N[C@@](C)(CCO)COC)c1[N+](=O)[O-] 563390217 PUGAUAUCXKYFMK-ZDUSSCGKSA-N 312.326 0.549 5 10 DBBE Cc1nn(C)c(NC2CCN(S(N)(=O)=O)CC2)c1[N+](=O)[O-] 1307176320 VCQWFVUAAIWLAZ-UHFFFAOYSA-N 318.359 -0.283 5 10 DBBE Cc1nn(C)c(C(=O)N[C@H](CO)c2cnn(C)c2)c1[N+](=O)[O-] 1457738888 VFJMVRYBIBQGQD-SECBINFHSA-N 308.298 -0.166 5 10 DBBE CN(Cc1nnc2n1CCNC2=O)c1ccc([N+](=O)[O-])cn1 1458591836 FSEGZGMVZCPBOT-UHFFFAOYSA-N 303.282 -0.039 5 10 DBBE O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccnnc1 1533490860 CJCMNYLPLJVOFD-JLVKAVFRSA-N 305.294 -0.456 5 10 DBBE CC(C)(CCC(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O)[N+](=O)[O-] 1632876192 FVOHCRQXHPFDOD-HZQMYPQZSA-N 323.305 -0.209 5 10 DBBE CS(=O)(=O)NC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 1644941649 CKTLGBAIHPPHPM-SSDOTTSWSA-N 317.327 -0.671 5 10 DBBE O=C(c1cc([N+](=O)[O-])cs1)N1CC2(C1)OC[C@H](O)[C@H]2O 2183729733 XKZRGISBSQXBDK-IONNQARKSA-N 300.292 -0.397 5 10 DBBE O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1NC[C@@H](O)[C@@H]1O 2201149267 MDQQJMLWNFZFET-BBBLOLIVSA-N 301.686 -0.120 5 10 DBBE CC(C)(NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1)C(N)=O 50676868 PBNISLZNENANOS-UHFFFAOYSA-N 302.312 -0.281 5 10 DBBE O=C1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)CN1 229050697 BZEIKNKDDXVSOY-LURJTMIESA-N 303.271 -0.099 5 10 DBBE O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCn1ccnn1 594773305 QCLPSGJIEAKZQD-UHFFFAOYSA-N 312.311 -0.050 5 10 DBBE CNc1ncc([N+](=O)[O-])c(N2CC[C@H](S(N)(=O)=O)C2)n1 707429071 QFSPXLQKLHZVOJ-LURJTMIESA-N 302.316 -0.706 5 10 DBBE C[C@@H](O)[C@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 717413686 FSUDRGTWWCDKTR-HZGVNTEJSA-N 308.287 -0.246 5 10 DBBE Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)N2CCCCC2)n1 780324172 MHNPSVIJQGJSRK-UHFFFAOYSA-N 317.327 -0.211 5 10 DBBE COC(=O)[C@@H]1[C@H]2CN(C(=O)Cn3c([N+](=O)[O-])cnc3C)C[C@H]21 1159207051 AAOWEGURODSCBE-GDGBQDQQSA-N 308.294 -0.023 5 10 DBBE O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCO[C@]2(CCOC2)C1 1266719641 JEKPWEVTMVSGTK-JOYOIKCWSA-N 311.298 -0.359 5 10 DBBE Cn1ncc([N+](=O)[O-])c1C(=O)NC1CN(c2ccncn2)C1 1302713429 KMDIGDNEXHYTMB-UHFFFAOYSA-N 303.282 -0.263 5 10 DBBE CN(C)C(=O)Cn1cnc(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 1322587416 DVMJWYJXURAPJI-UHFFFAOYSA-N 319.281 -0.078 5 10 DBBE Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CO)c2nncn2C)n1 1453821890 DXCGIHIDTAQFJH-JTQLQIEISA-N 306.282 -0.110 5 10 DBBE O=C(NCC1(O)CN(CCOC2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1672076252 KSGWHFLZDNDWNM-VXGBXAGGSA-N 313.354 -0.616 5 10 DBBE CN(CCCNC(=O)CCc1nc[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1737116523 CUGDKVUXYLZGAY-NXEZZACHSA-N 324.341 -0.633 5 10 DBBE O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCN=C1C[N+](=O)[O-] 1852330334 GZOYLJPGFTYTRO-SNVBAGLBSA-N 324.337 -0.469 5 10 DBBE NS(=O)(=O)c1ccc(NCC2(F)CNC2)c([N+](=O)[O-])c1 2146499849 BJMRZFQLLFDPCF-UHFFFAOYSA-N 304.303 -0.034 5 10 DBBE CN(CCS(=O)(=O)N(C)C)c1nc(=N)[nH]cc1[N+](=O)[O-] 2151033721 MUTSSSCRLZDIKL-UHFFFAOYSA-N 304.332 -0.875 5 10 DBBE CN1CCC[C@@H](Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)C1 2156819486 CFLRBORKBMGERA-MRVPVSSYSA-N 303.344 -0.220 5 10 DBBE COCc1ncc([N+](=O)[O-])c(=NC[C@@H](C)S(N)(=O)=O)[nH]1 2286731015 CZWXNNUCJSYELD-ZCFIWIBFSA-N 305.316 -0.958 5 10 DBBE