smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1[nH]c(CN[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc1=O 1086363415 SFQJHWMMRWKCJP-ZYUZMQFOSA-N 324.341 -1.242 5 20 DABD O=C(Cn1cc([N+](=O)[O-])cn1)NS(=O)(=O)N1CCOCC1 750729303 MXZGAPXHAANCDS-UHFFFAOYSA-N 319.299 -1.516 5 20 DABD NC(=O)NCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057543615 PYVNFTZENWEEBL-HTQZYQBOSA-N 317.302 -2.743 5 20 DABD COC(=O)c1cc(C(=O)N[C@H](CO)C(N)=O)cc([N+](=O)[O-])c1 341748498 RGOQFDCBKLIKRL-SECBINFHSA-N 311.250 -1.043 5 20 DABD CC(=O)N1CC(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 954152424 DCZSCTLUDBSGFQ-VXGBXAGGSA-N 324.337 -1.201 5 20 DABD Cc1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 1041436555 INEMMSJDEFMSMF-RKDXNWHRSA-N 324.293 -1.049 5 20 DABD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCNCC2)c1=O 1328181035 FHWQDOYKZMOPTQ-UHFFFAOYSA-N 324.293 -1.025 5 20 DABD Cn1cc([N+](=O)[O-])c(C(=O)N2CCNC(=O)CC23CNC3)n1 1579970202 RPIJSTCSMXGRAN-UHFFFAOYSA-N 308.298 -1.368 5 20 DABD CNC(=O)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 808047779 VWHAELBYQZIXAX-QMMMGPOBSA-N 318.311 -1.239 5 20 DABD O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1C[C@H](O)[C@H](O)C1 1261762527 WGZXBAZGQOKWSV-DTORHVGOSA-N 311.298 -1.237 5 20 DABD CS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])cnc1N 230682377 YZUUNPLWZBXQTJ-UHFFFAOYSA-N 303.300 -1.149 5 20 DABD NC(=O)CN(CC(N)=O)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 352381521 AOMIAKTUHRUMJC-UHFFFAOYSA-N 324.249 -1.264 5 20 DABD COC(=O)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H](C)O 347901522 QGXCUDQOONOSMZ-CPCISQLKSA-N 313.266 -1.205 5 20 DABD NC(=O)C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1080856344 ALJGHRGXQYVDKH-HTQZYQBOSA-N 314.298 -2.393 5 20 DABD CN(C)S(=O)(=O)CCNC(=O)c1c([N+](=O)[O-])cnn1C 1261211567 APDFEEVCVZMAEL-UHFFFAOYSA-N 305.316 -1.051 5 20 DABD Nc1ncc([N+](=O)[O-])cc1C(=O)NCCN1C(=O)CNC1=O 359806673 KFSOTEFEWHVTCX-UHFFFAOYSA-N 308.254 -1.146 5 20 DABD Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cn1cnnn1 1154503039 NTLHTAOKLLHGCT-UHFFFAOYSA-N 323.317 -1.389 5 20 DABD O=C1NC[C@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12 247332490 YTEQBGSLWXEIIU-ONGXEEELSA-N 310.314 -1.138 5 20 DABD Cn1cnc([N+](=O)[O-])c1CN1CCCN(C(=O)C(N)=O)CC1 981854529 SPFNASKMCKFHRT-UHFFFAOYSA-N 310.314 -1.152 5 20 DABD O=C(NC1CN(C(=O)c2cc[n+]([O-])cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991279598 NCEMNJMXMFKSCN-GHMZBOCLSA-N 306.278 -1.074 5 20 DABD NC(=O)CN(CC(N)=O)C(=O)CNc1ccccc1[N+](=O)[O-] 264181532 PTHBTKMOWNCANH-UHFFFAOYSA-N 309.282 -1.194 5 20 DABD O=C1NC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12 175889729 YTEQBGSLWXEIIU-KOLCDFICSA-N 310.314 -1.138 5 20 DABD COC(=O)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)O 347901527 QGXCUDQOONOSMZ-HQJQHLMTSA-N 313.266 -1.205 5 20 DABD CCN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1079829206 BRMMBFNGEWSMEA-NXEZZACHSA-N 323.313 -1.602 5 20 DABD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(NS(C)(=O)=O)C1 600324117 CECMCSBMJQLZNB-UHFFFAOYSA-N 317.327 -1.140 5 20 DABD CCS(=O)(=O)NCCNCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1157775280 NKHJGPYBIRIGLN-NXEZZACHSA-N 322.387 -1.313 5 20 DABD N[C@H]1C[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCN2C1=O 580096599 KHQBDBXSFFBWIU-SCZZXKLOSA-N 308.298 -1.438 5 20 DABD CNc1nccc(C(=O)NCCc2nnnn2C)c1[N+](=O)[O-] 594334101 FIIOAECSYAUDLS-UHFFFAOYSA-N 306.286 -0.473 5 20 DABD O=C(Cn1cncn1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 974111421 OCKQTXYBSLIOLI-UTINFBMNSA-N 308.298 -1.293 5 20 DABD O=C(Cc1ccc[nH]1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1043290219 CVEBYQNBFRFGNW-GHMZBOCLSA-N 322.321 -1.088 5 20 DABD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1[C@H]2CC[C@H]1CNC2 1261653506 NLXRKDBBOPZFFR-UWVGGRQHSA-N 322.325 -1.130 5 20 DABD CN1C(=O)CC[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 315972854 YLHXPZINTAUWBR-NXEZZACHSA-N 311.298 -1.111 5 20 DABD O=C(NCC1CN(C(=O)c2c[nH]c(=O)cn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001809295 CJBWXSFRMSFYCW-PSASIEDQSA-N 321.293 -1.377 5 20 DABD CNS(=O)(=O)NCC(=O)NCCn1cc([N+](=O)[O-])cn1 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321.293 -1.119 5 20 DABD Cn1[nH]c(CN2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc1=O 1031661943 NVMRREAQMNMNCY-RKDXNWHRSA-N 310.314 -1.678 5 20 DABD Nc1nc(NCCNC(=O)Cc2nc[nH]n2)ncc1[N+](=O)[O-] 1093852060 URDBWIPKABILCU-UHFFFAOYSA-N 307.274 -1.144 5 20 DABD COCCCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1126936200 ABSMWQILCBBOLD-NXEZZACHSA-N 302.331 -1.490 5 20 DABD O=C(NCC(=O)N1C[C@H](O)[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 600216439 WOSIVYQSVABFHR-QWRGUYRKSA-N 309.278 -1.111 5 20 DABD CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CNC(N)=O 1101484290 JWEBSMPDBRVIDB-UHFFFAOYSA-N 312.290 -1.494 5 20 DABD Nc1nccc(C(=O)NCCCN2CCNC(=O)C2)c1[N+](=O)[O-] 565184266 VSGRWQNEKWPILP-UHFFFAOYSA-N 322.325 -0.876 5 20 DABD CNc1nccc(C(=O)N2CCN(C(=O)CO)CC2)c1[N+](=O)[O-] 594333098 SHOXRNZKPRZJPH-UHFFFAOYSA-N 323.309 -0.692 5 20 DABD O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnnc(O)c1 994041816 ROPPJSRLLYWIAM-RKDXNWHRSA-N 307.266 -1.212 5 20 DABD CCn1cc(S(=O)(=O)N[C@@H](CO)C(=O)OC)c([N+](=O)[O-])n1 351958804 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O=C1NC(=O)N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]12 1320015519 ICTOZVSMHMFEEQ-QMMMGPOBSA-N 308.254 -1.446 5 20 DABD COc1ccc(S(=O)(=O)N[C@H](CO)C(N)=O)cc1[N+](=O)[O-] 352604326 VXQVDPXZOXRHTP-SSDOTTSWSA-N 319.295 -1.272 5 20 DABD CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593578740 XLBMXOADWNSUSH-SSDOTTSWSA-N 304.284 -1.625 5 20 DABD Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)c1cnnn1C 1126540783 IIICAFHKYRJPGG-UHFFFAOYSA-N 308.302 -1.024 5 20 DABD CC(=O)NCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1062989542 IAWABMDZFKPAGD-NXEZZACHSA-N 312.326 -1.057 5 20 DABD COC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)O 600655110 IPVBRIMUVYVLTL-RXMQYKEDSA-N 308.272 -1.294 5 20 DABD CNC(=O)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 1055304643 YEVXMARHVOSUPL-LMLFDSFASA-N 324.337 -1.296 5 20 DABD O=C1NC(=O)N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@@H]12 352450138 HNEWUGAGMULUFY-VIFPVBQESA-N 322.281 -1.056 5 20 DABD CN(C)c1nc(N)nc(C(=O)NCCn2cc([N+](=O)[O-])cn2)n1 570406256 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COC(=O)[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)O1 338367259 CQAOGYJAMHIGNF-SFYZADRCSA-N 313.270 -1.025 5 20 DABD NS(=O)(=O)c1cccc(N2C[C@H](O)[C@H](O)C2)c1[N+](=O)[O-] 433820368 MGYJFDYNNOFPQP-OCAPTIKFSA-N 303.296 -1.216 5 20 DABD CN1C(=O)C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 555556196 LZNGLSPADULJLG-MRVPVSSYSA-N 308.250 -1.370 5 20 DABD COC(=O)[C@@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594767980 ZGNCGJDLJPCJJN-ZETCQYMHSA-N 305.268 -1.198 5 20 DABD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H](CO)Cc1cnn[nH]1 1577968336 YQGWHYKAXFZSOA-SECBINFHSA-N 322.281 -1.406 5 20 DABD O=C(NCCN(CCO)C(=O)c1cn[nH]c1)[C@@H]1C[C@H]1[N+](=O)[O-] 1057074140 ULPJYIYKUSHGNF-NXEZZACHSA-N 311.298 -1.374 5 20 DABD O=C(NCC1CN(C(=O)CCn2cnnn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001809096 WMXYCGKPHGBDDZ-NXEZZACHSA-N 323.313 -1.697 5 20 DABD NC(=O)C(=O)NCC1(Nc2ncc([N+](=O)[O-])c(N)n2)CCC1 1111899549 HXQSFBCJALRKNB-UHFFFAOYSA-N 309.286 -1.097 5 20 DABD COC(=O)C1(O)CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 1604917902 GAYFHGPIQOCSRQ-UHFFFAOYSA-N 321.253 -1.106 5 20 DABD COC(=O)[C@H]1C[C@H](OC)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 347875506 FJKPWTCPHNKDMB-JGVFFNPUSA-N 313.270 -1.025 5 20 DABD CC(C)N1C(=O)C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1=O 443583471 QTYDNFKDYQQHCG-SSDOTTSWSA-N 310.270 -1.162 5 20 DABD Cn1nnc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)n1 1062990134 CPOGZKLYWVLBOO-HTQZYQBOSA-N 323.313 -1.356 5 20 DABD O=C(O)[C@@H]1CS(=O)(=O)CCN1CCn1cc([N+](=O)[O-])cn1 1606057699 SDHLMLDIGICWGH-VIFPVBQESA-N 318.311 -1.025 5 20 DABD O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1c[nH]c(=O)cn1 1003913631 ITCGHSGAGHJMEY-PSASIEDQSA-N 321.293 -1.377 5 20 DABD O=C(Cn1ccc([N+](=O)[O-])n1)NS(=O)(=O)N1CCOCC1 750726981 CABRNUXMXAYCOP-UHFFFAOYSA-N 319.299 -1.516 5 20 DABD O=C(CNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)NC1CC1 1126936206 ANOFQNOZDBACQD-RKDXNWHRSA-N 313.314 -1.654 5 20 DABD CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1126936649 OLMHSPBUMBPIIB-HTQZYQBOSA-N 301.303 -1.797 5 20 DABD CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 340675844 MPBBBJAWXOBMDP-UHFFFAOYSA-N 323.309 -1.371 5 20 DABD Cc1c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nnn1C 990596964 MECNCOWUXUWQQH-RKDXNWHRSA-N 308.298 -1.271 5 20 DABD CN1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O 1327541456 MEMYXMRAYMQWHE-UHFFFAOYSA-N 324.297 -1.792 5 20 DABD COC(=O)[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 338367255 CQAOGYJAMHIGNF-JGVFFNPUSA-N 313.270 -1.025 5 20 DABD Cn1c(COC(=O)Cn2ccc([N+](=O)[O-])n2)cc(=O)n(C)c1=O 919380155 DJRSDGDOJCVOKJ-UHFFFAOYSA-N 323.265 -1.068 5 20 DABD C[C@@H](O)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 360707457 KOGHTBZZRDGJJK-MRVPVSSYSA-N 311.298 -1.007 5 20 DABD CN1C(=O)CC[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 315972856 YLHXPZINTAUWBR-VHSXEESVSA-N 311.298 -1.111 5 20 DABD CNc1nccc(C(=O)N2CC(=O)N(C)C(=O)C2)c1[N+](=O)[O-] 583272419 JSIJEBGZESSIIL-UHFFFAOYSA-N 307.266 -0.528 5 20 DABD O=C(NCC1(O)CN(C(=O)c2ccncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042976860 XQQDSSJHZQRWKG-PSASIEDQSA-N 321.293 -1.555 5 20 DABD CN(CCNC(=O)CNC(N)=O)c1ncc([N+](=O)[O-])c(N)n1 1099910723 QERGQJQUHBZNAU-UHFFFAOYSA-N 312.290 -1.812 5 20 DABD O=C(Cc1ccon1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042209264 AMGAXNBIKZGMTD-NXEZZACHSA-N 324.293 -1.428 5 20 DABD O=C(NCC1(O)CN(C(=O)c2nc[nH]n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042976902 ZAMZGLWMGJOZNT-RNFRBKRXSA-N 310.270 -2.227 5 20 DABD NC(=O)CN1CCC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 1318771374 HBCYIZPDTGDPNB-SECBINFHSA-N 310.314 -1.143 5 20 DABD CC(=O)N1CC(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 991280211 NWMSLQFCUMBCHR-GHMZBOCLSA-N 310.310 -1.543 5 20 DABD CS(=O)(=O)CC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1001797447 YLLYTPWTQAKQOB-RKDXNWHRSA-N 319.339 -1.729 5 20 DABD O=C(O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCNCC2)c1 1602299212 MLLRKIIJBFQNAK-UHFFFAOYSA-N 310.266 -1.114 5 20 DABD CN1C(=O)C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc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c1nn(C)c(C(=O)NCCNS(C)(=O)=O)c1[N+](=O)[O-] 1319986998 VOCNZPJJOVUEBJ-UHFFFAOYSA-N 305.316 -1.084 5 20 DABD CNc1nccc(C(=O)NCCN2C(=O)CNC2=O)c1[N+](=O)[O-] 557613039 BGQAWAYWECSRRM-UHFFFAOYSA-N 322.281 -0.687 5 20 DABD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cn[nH]c1 1041657573 OFAKMTOTCMKKPC-RKDXNWHRSA-N 309.282 -1.622 5 20 DABD Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccc1=O 995182640 AAXMOFMBDDVEJU-GHMZBOCLSA-N 320.305 -1.009 5 20 DABD CC(C)OCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1041843912 ZLTSVRUMRUSJFF-NXEZZACHSA-N 315.326 -1.234 5 20 DABD Cn1c(N)c(C(=O)Cn2nccc2[N+](=O)[O-])c(=O)n(C)c1=O 128061508 WXISSLWLJGEQEA-UHFFFAOYSA-N 308.254 -1.346 5 20 DABD O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CCCS1(=O)=O 147675991 KAOOAIUXIWAUIF-UHFFFAOYSA-N 317.327 -1.057 5 20 DABD O=C(CO)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 362374430 AZSZWMFJEMZNBH-UHFFFAOYSA-N 310.266 -1.028 5 20 DABD COCCN(C)S(=O)(=O)NC(=O)Cn1cnc([N+](=O)[O-])n1 757336788 VWBGSJBDBITGDQ-UHFFFAOYSA-N 322.303 -1.875 5 20 DABD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 352427498 HYZSVABWUYRGME-MRVPVSSYSA-N 324.297 -1.215 5 20 DABD O=C(NC1CN(Cc2nnc3n2CCOC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1030292722 UPYAGRLTFANOBL-NXEZZACHSA-N 322.325 -1.226 5 20 DABD NC(=O)CC(=O)NC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 1095400366 WVZFZPQJHFWJMD-UHFFFAOYSA-N 323.313 -1.073 5 20 DABD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN([C@H]2CCNC2)CC1 1328524709 LEZYHKRXIGZWIQ-JTQLQIEISA-N 309.330 -1.308 5 20 DABD O=C(Cn1nccn1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 974110273 RPPOLJLGERIFBK-UTINFBMNSA-N 308.298 -1.293 5 20 DABD O=C(NCCN(CCO)C(=O)c1cocn1)[C@@H]1C[C@H]1[N+](=O)[O-] 1057198063 NFGSYTUCPFRZIO-PSASIEDQSA-N 312.282 -1.110 5 20 DABD CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](CN)C1 1346017293 MHZUQEXYPQEADM-JTQLQIEISA-N 309.326 -1.142 5 20 DABD O=C(Cn1cnnn1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 978794255 KITBYOCRPAOSNT-UTINFBMNSA-N 323.313 -1.651 5 20 DABD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc[nH]c1 1043384930 JMZRTRKWEROZKH-NXEZZACHSA-N 308.294 -1.017 5 20 DABD Cc1c(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nnn1C 1001795284 FKVONNBIBHSWKK-NXEZZACHSA-N 322.325 -1.023 5 20 DABD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cn(C)nn2)C1 954239786 IHXOUWWQHBVNSH-PSASIEDQSA-N 308.298 -1.237 5 20 DABD Cn1ncc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1N 1001528626 SDCSVIJQXPGNBG-PSASIEDQSA-N 322.325 -1.144 5 20 DABD NC(=O)CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 18242631 ONYHGPZJVRVBCX-UHFFFAOYSA-N 306.234 -1.208 5 20 DABD NC(=O)C(=O)N1CC2(CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1010820471 MLUYLPUOEPVUIU-RKDXNWHRSA-N 310.310 -1.412 5 20 DABD NC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 355596250 NZVAOLKQMUODLA-UHFFFAOYSA-N 309.282 -1.062 5 20 DABD O=C(NC1CN(C(=O)CCc2cnn[nH]2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991287390 RXDUKYLBKFCTAW-NXEZZACHSA-N 308.298 -1.271 5 20 DABD C[C@@H](O)C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 270819369 DKCWITAVFLSYJT-SECBINFHSA-N 311.298 -1.157 5 20 DABD NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 352604542 YWKSYMGSFQAOEB-SNVBAGLBSA-N 317.323 -1.097 5 20 DABD Cc1nc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 1011109765 YKVPCMAXKGSJBR-NXEZZACHSA-N 322.325 -1.008 5 20 DABD Cc1ocnc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042975818 SNHVMJBACXNPAC-RKDXNWHRSA-N 324.293 -1.049 5 20 DABD CNC(=O)CN1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 1116427313 MUIQZOAXLDWRCK-UHFFFAOYSA-N 310.314 -1.168 5 20 DABD CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 358884786 INWATCHLWOXMAF-SECBINFHSA-N 303.296 -1.020 5 20 DABD CN(CCNCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])S(C)(=O)=O 1157767283 KURJROFZGSJPQY-NXEZZACHSA-N 322.387 -1.361 5 20 DABD O=C(O)CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1610779883 HFPXDNVLWRGASG-NXEZZACHSA-N 301.299 -1.103 5 20 DABD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnn[nH]1 1057545621 HRBXBJZUBGWNHK-VXNVDRBHSA-N 312.286 -1.979 5 20 DABD CNC(=O)NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1112836039 YFZNYCBSKMRJEA-RKDXNWHRSA-N 313.314 -1.749 5 20 DABD CNC(=O)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057412927 AMIUKXVELNYNHA-RKDXNWHRSA-N 316.314 -2.275 5 20 DABD O=C(CN1CCCC1=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 990188476 QMWUWUWAGZUMLG-NXEZZACHSA-N 310.310 -1.399 5 20 DABD Cc1[nH]nc(C(=O)N2CC(NS(C)(=O)=O)C2)c1[N+](=O)[O-] 600326518 REJNEWISBSOTSB-UHFFFAOYSA-N 303.300 -1.000 5 20 DABD CN(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1045713597 LKFGSIMYDZEWNZ-NXEZZACHSA-N 314.342 -1.707 5 20 DABD CCOC(=O)[C@H]1CNCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 1328490512 RUYDBXWKJQEFEA-MRVPVSSYSA-N 312.286 -1.450 5 20 DABD CS(=O)(=O)CCN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1025776117 ZADHLNUAYXKHKA-NZFPMDFQSA-N 317.367 -1.257 5 20 DABD NC(=O)CC(=O)NCC1(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 1110112005 GLWDHFGGDIZDRC-UHFFFAOYSA-N 309.286 -1.097 5 20 DABD O=C(O)[C@@H]1COCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 566358528 JVTHIOAXTCZXLO-UWVGGRQHSA-N 300.271 -1.062 5 20 DABD CCn1cc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)O)c([N+](=O)[O-])n1 548538295 ICOPCKQVDLAIKP-VDTYLAMSSA-N 322.299 -1.077 5 20 DABD Cn1nnc(CN2CCC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n1 1072721384 PGNYOYCFQADREN-NXEZZACHSA-N 321.341 -1.090 5 20 DABD NC(=O)C1(O)CN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 1606411295 VMFBUHSOBSZAGF-UHFFFAOYSA-N 305.254 -1.189 5 20 DABD O=C(N[C@H]1C[C@H](NCCN2CCNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1020140062 WLKCPACSUTZMHC-GWOFURMSSA-N 311.342 -1.086 5 20 DABD O=C1NC(=O)N2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]12 1319676560 ZDRKMQLDKMVTBR-NXEZZACHSA-N 324.297 -1.612 5 20 DABD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)C(N)=O 619255452 ZUMWQMBXJZCPJY-GMSGAONNSA-N 324.293 -1.325 5 20 DABD NS(=O)(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 263700810 KMWKMMPAXIHTKR-UHFFFAOYSA-N 318.315 -1.861 5 20 DABD CN1C(=O)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1=O 550159963 URZRBUVAGYYSBJ-UHFFFAOYSA-N 308.250 -1.416 5 20 DABD COC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)O 600655111 IPVBRIMUVYVLTL-YFKPBYRVSA-N 308.272 -1.294 5 20 DABD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H](O)[C@H](O)C1 433803408 DEQDOUILIXEYJJ-DTORHVGOSA-N 303.296 -1.216 5 20 DABD O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cncnc1O 994427706 BUTVPDRFZQDROU-VXNVDRBHSA-N 307.266 -1.212 5 20 DABD NC(=O)CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 344269024 SLSDHJMTSJSWNR-UHFFFAOYSA-N 309.282 -1.005 5 20 DABD CNC(=O)NCC(=O)NCCNCc1c([N+](=O)[O-])ncn1C 1128789049 CVJONSUVZYHTSR-UHFFFAOYSA-N 313.318 -1.537 5 20 DABD NCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 564729040 JELZXCRYRLILIC-UHFFFAOYSA-N 302.312 -1.052 5 20 DABD O=C(NC1CN(Cc2nnnn2C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1030292638 PYNWMWIIXIDFFD-NXEZZACHSA-N 307.314 -1.026 5 20 DABD CN(CCNC(=O)c1nnn(C)n1)c1ncc([N+](=O)[O-])c(N)n1 1100264662 XLPYNKZLBQTMRB-UHFFFAOYSA-N 322.289 -1.643 5 20 DABD O=C(Cn1cnnn1)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 354520174 AEJSMQBWSUOEGS-UHFFFAOYSA-N 319.285 -1.280 5 20 DABD Cc1n[nH]cc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042981446 RHXCZJKJCNWKAC-PSASIEDQSA-N 323.309 -1.314 5 20 DABD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H](O)CN1CCCC1=O 1334125672 OIUWJHAXAPGZJC-JTQLQIEISA-N 311.298 -1.109 5 20 DABD O=C1NC[C@@H]2CN(c3ccnc(O)c3[N+](=O)[O-])CCN2C1=O 1350475140 XNAGYIYDHBLPAQ-SSDOTTSWSA-N 307.266 -1.158 5 20 DABD CN(C)S(=O)(=O)CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 405386949 NFZQMQCQNMMVEY-JTQLQIEISA-N 321.359 -1.367 5 20 DABD Nc1nccnc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1001796518 RDVCXLDSIXEPHW-RKDXNWHRSA-N 320.309 -1.088 5 20 DABD Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 974093536 AYMXPORSSOPYBR-IBCQBUCCSA-N 308.298 -1.143 5 20 DABD Cc1ncoc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042364384 LHMUVHBQLSIZQO-RKDXNWHRSA-N 324.293 -1.049 5 20 DABD O=C(Cc1ncc[nH]1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1045281427 ICLWFSQZTPYSTF-RKDXNWHRSA-N 323.309 -1.693 5 20 DABD O=C(O)[C@@H]1C[C@H](O)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 1601768438 IAZNTEXJSCIGOQ-DVVUODLYSA-N 314.298 -1.080 5 20 DABD CCn1cc(S(=O)(=O)N[C@@H]2CNC(=O)C2)c([N+](=O)[O-])n1 444206302 QHVQCWMOWXAGDA-LURJTMIESA-N 303.300 -1.022 5 20 DABD Nc1nccc(C(=O)N2CCN(C(=O)CO)CC2)c1[N+](=O)[O-] 548088727 AGGTZIPLXXZLGW-UHFFFAOYSA-N 309.282 -1.151 5 20 DABD CNC(=O)[C@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 849390518 QSWUVUANGQZKFG-SSDOTTSWSA-N 304.284 -1.625 5 20 DABD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnon1 1057544887 PVPSPFGGAGKEOP-VXNVDRBHSA-N 313.270 -1.715 5 20 DABD COC(=O)[C@@H](Cc1cnn[nH]1)NC(=O)c1nn(C)cc1[N+](=O)[O-] 1576912385 BNLOBWQNAYGVIE-SSDOTTSWSA-N 323.269 -1.040 5 20 DABD CN1C[C@H](C(=O)O)N(C(=O)c2c([N+](=O)[O-])cnn2C)CC1=O 1606198871 AUFGFCRMLQPEBE-SSDOTTSWSA-N 311.254 -1.304 5 20 DABD O=C1NC[C@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12 247332485 YTEQBGSLWXEIIU-GXSJLCMTSA-N 310.314 -1.138 5 20 DABD Cn1c(=O)ccn(CC(=O)OCCn2cc([N+](=O)[O-])cn2)c1=O 748111079 HOKPAYOHCVAIHB-UHFFFAOYSA-N 323.265 -1.105 5 20 DABD CNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cnc1O 275956007 KNXWQPCKPYNEFM-UHFFFAOYSA-N 304.284 -1.026 5 20 DABD C[C@H](O)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 360707458 KOGHTBZZRDGJJK-QMMMGPOBSA-N 311.298 -1.007 5 20 DABD CCOCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1041994769 PODAJERIAWGMAK-NXEZZACHSA-N 315.326 -1.232 5 20 DABD O=[N+]([O-])c1cnn(CCNS(=O)(=O)N2CCOCC2)c1 269164039 ZLVCKFWDIASUDF-UHFFFAOYSA-N 305.316 -1.042 5 20 DABD CS(=O)(=O)NCCC(=O)NCCn1cc([N+](=O)[O-])cn1 610874719 SDTWZIJTFWSCEU-UHFFFAOYSA-N 305.316 -1.153 5 20 DABD NC(=O)C(=O)N(CCO)CCNc1ncc([N+](=O)[O-])cc1F 1111557810 ZEYHTXGUIRTEPO-UHFFFAOYSA-N 315.261 -1.153 5 20 DABD Cn1c(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cccc1=O 991297355 TZQBXXMJNLTHEU-MWLCHTKSSA-N 320.305 -1.009 5 20 DABD Nc1nc(=NCCS(=O)(=O)NC2CC2)[nH]cc1[N+](=O)[O-] 341821367 VQSPEJVSCJEMTJ-UHFFFAOYSA-N 302.316 -1.117 5 20 DABD O=C(NCC1CN(C(=O)Cn2nccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001809485 FFFPLKMOYSMGGQ-NXEZZACHSA-N 308.298 -1.482 5 20 DABD CS(=O)(=O)N1CC(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 354825520 CRQWELQSQADULN-UHFFFAOYSA-N 303.300 -1.061 5 20 DABD CN1C(=O)CN(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 770455935 UHDXNIGUIWOUSY-UHFFFAOYSA-N 309.238 -1.318 5 20 DABD O=C(NCCN1CCS(=O)(=O)CC1)c1cc([N+](=O)[O-])[nH]n1 284960607 CBKRDJNUAPLSQK-UHFFFAOYSA-N 317.327 -1.222 5 20 DABD NC(=O)C(=O)N[C@H]1[C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@@H]21 1060468507 GQELMSWFYNEWGU-KCQQBQQISA-N 307.270 -1.997 5 20 DABD O=C(NC1CN(C(=O)CCn2cnnn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991293403 MWYVPMBMERSVDC-RKDXNWHRSA-N 309.286 -1.945 5 20 DABD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cncnc1 1042709557 FKSIAIICDMUILR-NXEZZACHSA-N 321.293 -1.555 5 20 DABD NS(=O)(=O)c1ccc(N2C[C@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 433806333 RZXIMYZHARSUFL-UWVGGRQHSA-N 303.296 -1.216 5 20 DABD O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCCN1C(=O)CNC1=O 748912399 QNKIQPZDGDFUSC-UHFFFAOYSA-N 324.249 -1.149 5 20 DABD Cc1nn(C)c(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1[N+](=O)[O-] 267511533 QUTDUSPEJPIBBY-QMMMGPOBSA-N 308.298 -1.216 5 20 DABD COC[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C(N)=O 758486671 SSZUBCSFQFWBLC-LURJTMIESA-N 304.284 -1.232 5 20 DABD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)Cn2ncnn2)C1 954240187 ZIXKMRZICSPJOB-RKDXNWHRSA-N 309.286 -1.993 5 20 DABD O=C(Cn1cnnc1O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 973190323 FPVJELNDOYIFQR-FNCVBFRFSA-N 324.297 -1.588 5 20 DABD CCS(=O)(=O)NCCNC(=O)c1c([N+](=O)[O-])cnn1C 1116431793 KYHOECQTHJVPOR-UHFFFAOYSA-N 305.316 -1.003 5 20 DABD CN1C[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O 1261159930 NDZILGMXXNWPFT-MRVPVSSYSA-N 324.297 -1.746 5 20 DABD NC(=O)CC(=O)N1CCCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1010652735 MFVVBRQGTMZADQ-NXEZZACHSA-N 324.337 -1.022 5 20 DABD Cc1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 1042975616 PAITWOMNTVHYMA-PSASIEDQSA-N 324.293 -1.049 5 20 DABD NC(=O)COCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594757227 AMTYZJWUYMQQSD-UHFFFAOYSA-N 304.284 -1.230 5 20 DABD Cc1nn[nH]c1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1001799569 OXUQAEINLHSGIW-RKDXNWHRSA-N 308.298 -1.033 5 20 DABD CNc1nccc(C(=O)NCCN2CCNC(=O)C2)c1[N+](=O)[O-] 566451067 OHANBERFCBWYQQ-UHFFFAOYSA-N 322.325 -0.807 5 20 DABD CN(C(=O)Cn1ncnn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954351292 IZYBSPPZRDAUJN-RKDXNWHRSA-N 309.286 -1.993 5 20 DABD O=C(N[C@H]1[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 976493109 LRGYBKGOIMGAQZ-DZEUPHNYSA-N 321.297 -2.089 5 20 DABD Cc1nc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)co1 1042744783 XPMJYZQSWPWIGX-PSASIEDQSA-N 324.293 -1.049 5 20 DABD CNS(=O)(=O)c1ccc(NC[C@@H](O)C(N)=O)c([N+](=O)[O-])c1 278788542 WTZWVVYVRGOQMI-SECBINFHSA-N 318.311 -1.239 5 20 DABD O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](CO)[C@H](O)C2)c1 1256176305 UIXLNQWQEBTKLZ-MVWJERBFSA-N 300.315 -1.173 5 20 DABD NC(=O)[C@H](CO)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 353008132 YSCMSEICHKPKTK-JTQLQIEISA-N 320.265 -1.249 5 20 DABD O=C1CN(CC(=O)OCCn2cc([N+](=O)[O-])ccc2=O)C(=O)N1 761404241 ONFBVZGZRFVMBO-UHFFFAOYSA-N 324.249 -1.149 5 20 DABD Cn1cccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1=O 991294672 HBXYJFAYQSGUOS-GHMZBOCLSA-N 320.305 -1.009 5 20 DABD NC(=O)CC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 1107088153 PNBBVZYGTLUUIL-UPHRSURJSA-N 309.286 -1.073 5 20 DABD CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1126936857 VBUZIDHPKVZDBC-RKDXNWHRSA-N 315.330 -1.407 5 20 DABD O=C(NCCCNCC(=O)N1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1157767146 ICWIKPBSKMVKSE-GHMZBOCLSA-N 314.342 -1.394 5 20 DABD O=[N+]([O-])c1ccc(NC[C@@H](O)CO)nc1NC[C@@H](O)CO 277765428 KTFNVVANIQQNIC-HTQZYQBOSA-N 302.287 -1.480 5 20 DABD NC(=O)[C@@H](O)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 834572898 FSKKRBLLQOIHNG-JTQLQIEISA-N 307.266 -1.093 5 20 DABD CN1C(=O)CC[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 315972857 YLHXPZINTAUWBR-ZJUUUORDSA-N 311.298 -1.111 5 20 DABD O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](N2CCNCC2)C1 1326338776 BASIIOXBACUIQD-SNVBAGLBSA-N 309.330 -1.308 5 20 DABD CNC(=O)CN1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 1330028622 JANQTZSTHSALFH-UHFFFAOYSA-N 322.325 -1.043 5 20 DABD Nc1nc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)ncc1[N+](=O)[O-] 267507646 ORGFAJYDKXDOFJ-ZCFIWIBFSA-N 307.270 -1.886 5 20 DABD COC(=O)CCNC(=O)CCN=c1nc(N)c([N+](=O)[O-])c[nH]1 599170684 OLFHLSDNVLIZRK-UHFFFAOYSA-N 312.286 -1.130 5 20 DABD O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1010241201 WWONKTAXWZTXDF-RKDXNWHRSA-N 309.286 -1.991 5 20 DABD O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ncccn1 1045209267 UAYHOQUVCUGMJR-RKDXNWHRSA-N 321.293 -1.555 5 20 DABD NC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 561143520 YFTMFTFFVCZAPZ-QMMMGPOBSA-N 311.250 -1.058 5 20 DABD COCCONC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1261164829 DRZKRRVBMXWWFW-UHFFFAOYSA-N 301.259 -1.398 5 20 DABD NC(=O)c1ccnc(NCCN2CCNC(=O)C2)c1[N+](=O)[O-] 357438152 IEHRAZZBPIQFHG-UHFFFAOYSA-N 308.298 -1.068 5 20 DABD NC(=O)CN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 1318562015 XXOZNPAUXXZQCM-SECBINFHSA-N 310.314 -1.143 5 20 DABD CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CNC(N)=O 1066770938 VADWLNHCEAPHKG-RKDXNWHRSA-N 315.330 -1.373 5 20 DABD Cn1ccc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 1042976912 ZMQJDMAJIFBLCH-GHMZBOCLSA-N 322.321 -1.007 5 20 DABD O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)N1 1118244025 JPMVOQLQDADHTK-MRVPVSSYSA-N 303.300 -1.401 5 20 DABD CCn1cc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)c([N+](=O)[O-])n1 1342423161 BYFRAXZRZNJYSQ-KNVOCYPGSA-N 306.300 -1.463 5 20 DABD CS(=O)(=O)NC1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 600324166 FGKHDYHHRDRYJF-UHFFFAOYSA-N 303.300 -1.449 5 20 DABD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@]2(C(=O)O)CCOC2)n1 600653781 NUWMSGLYXKAXAU-SECBINFHSA-N 320.283 -1.150 5 20 DABD COCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C(N)=O 441304136 QSXJHGDJNGTIMR-KOLCDFICSA-N 315.330 -1.026 5 20 DABD CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 358898151 ZKRFXXNPIXSSSL-SSDOTTSWSA-N 303.296 -1.020 5 20 DABD Cc1nocc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042976867 XYZIKKUAFISGCS-PSASIEDQSA-N 324.293 -1.049 5 20 DABD NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 1592723656 GOYJZZPGDWNJNE-MRVPVSSYSA-N 320.269 -1.140 5 20 DABD CN(CCNCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])S(C)(=O)=O 1126936760 RCJXJLSDVIIIKY-RKDXNWHRSA-N 308.360 -1.751 5 20 DABD NC(=O)C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1074584876 YMNIROWUXMQPAN-HTQZYQBOSA-N 314.298 -2.393 5 20 DABD O=[N+]([O-])c1cnc(N2CC(CO)(CO)C2)c(-c2nn[nH]n2)c1 1607086809 RWGRMUDGCRLFGV-UHFFFAOYSA-N 307.270 -1.039 5 20 DABD NC(=O)C(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 944936105 MXYKWCBMNVJGRR-RKDXNWHRSA-N 310.310 -1.412 5 20 DABD Cc1ncc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 1042078497 IKTMNKAIKXSBPB-PSASIEDQSA-N 323.309 -1.314 5 20 DABD O=C(NCC1(O)CN(C(=O)c2ccc[nH]2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042974455 FWNVWHHKXFUCNE-PSASIEDQSA-N 308.294 -1.017 5 20 DABD CN1CCN(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)CC1 1604862321 DCQCEXAGEZBOQY-UHFFFAOYSA-N 321.301 -1.255 5 20 DABD O=C(NCCNCc1nnc2n1CCOC2)[C@@H]1C[C@H]1[N+](=O)[O-] 1126932342 SXTWKEXFXAPKAT-RKDXNWHRSA-N 310.314 -1.321 5 20 DABD Cn1cnn(CC(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1=O 994976997 ZOGOREBHPJSSDI-RKDXNWHRSA-N 324.297 -2.426 5 20 DABD O=C(NC1CN(C(=O)CN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991287259 QTYUUJCQNIMSIK-RKDXNWHRSA-N 324.293 -1.872 5 20 DABD C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1324317414 RFQWPAQOMQPVJV-MRVPVSSYSA-N 324.297 -1.746 5 20 DABD O=C(CN1CCCC1=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1010255662 PTZUWTYUDHNPMN-GHMZBOCLSA-N 324.337 -1.055 5 20 DABD NC(=O)C(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1013999947 BYHXTWIKISERQP-UWDHQAPTSA-N 310.310 -1.320 5 20 DABD CN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O 1261164984 HVRGPMIIOMXUHX-SECBINFHSA-N 324.297 -1.746 5 20 DABD CCS(=O)(=O)NCCNC(=O)Cn1ccc([N+](=O)[O-])n1 298744154 KMCSIAVQAXFDGB-UHFFFAOYSA-N 305.316 -1.153 5 20 DABD Cn1cnn(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1=O 991291127 QHXIEEVRLPEZBM-RKDXNWHRSA-N 324.297 -2.426 5 20 DABD Cn1cnc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1001806714 MKMVPGKTWYGLKS-RKDXNWHRSA-N 308.298 -1.332 5 20 DABD 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NC(=O)[C@@H](CO)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 353008134 YSCMSEICHKPKTK-SNVBAGLBSA-N 320.265 -1.249 5 20 DABD O=C1CC(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC(=O)N1 991298420 NROTWACKSLCRHK-RKDXNWHRSA-N 324.293 -1.969 5 20 DABD CN(CCNS(C)(=O)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 1318912604 KLDFIOSXFQCJHM-JTQLQIEISA-N 321.359 -1.367 5 20 DABD C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)NCCN(C)C 569961132 ZWTQWXJXMTUTDS-SECBINFHSA-N 312.330 -1.026 5 20 DABD Cc1nc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n[nH]1 991294902 ILEACQLJYXDXBS-RKDXNWHRSA-N 308.298 -1.352 5 20 DABD Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)CCNC(N)=O 1150423962 NEABHGFEQDOXJX-UHFFFAOYSA-N 313.318 -1.408 5 20 DABD O=C(Cn1nccn1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 973254976 RPPOLJLGERIFBK-ZYUZMQFOSA-N 308.298 -1.293 5 20 DABD COC(=O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])cnc1O 584282784 PBYQQMXZYPSUPX-UHFFFAOYSA-N 312.238 -1.286 5 20 DABD COC(=O)[C@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594767431 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O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H](CO)Cc1cnn[nH]1 1577968338 YQGWHYKAXFZSOA-VIFPVBQESA-N 322.281 -1.406 5 20 DABD O=C(NC1CN(C(=O)c2nnc(O)nc2O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991293564 BPHCFPJHRGCOIU-PHDIDXHHSA-N 324.253 -2.111 5 20 DABD CCN(CCCNC(=O)C(N)=O)c1ncc([N+](=O)[O-])c(N)n1 1095960926 GIGQEEVGXITIQB-UHFFFAOYSA-N 311.302 -1.215 5 20 DABD CN(CC(=O)N1CCNCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 428200514 QEKPSVSNFSJNDJ-UHFFFAOYSA-N 310.314 -1.319 5 20 DABD CNS(=O)(=O)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594770265 FLRPFJRRDZRFAF-UHFFFAOYSA-N 324.340 -1.183 5 20 DABD Cn1nncc1CN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1755331676 QDTRMJLAMHKWFM-GHMZBOCLSA-N 324.341 -1.467 5 20 DABD NC(=O)[C@H](CO)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 352627240 TUUBUSDOIRFFHY-VIFPVBQESA-N 317.323 -1.097 5 20 DABD NC(=O)[C@@H]1CCCN1C(=O)NC(=O)Cn1nccc1[N+](=O)[O-] 428268282 LHFATAMOROVUPC-ZETCQYMHSA-N 310.270 -1.023 5 20 DABD O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 596001162 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CN1CC(=O)N(CC(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O 492752442 VZNKHURGGODNHJ-UHFFFAOYSA-N 310.270 -1.199 5 20 DABD O=C1CN(CCNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1 574632149 XQJQJKUFCHYZRY-NSHDSACASA-N 312.330 -1.826 5 20 DABD CNC(=O)NC(=O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O 43929010 NXLABHJMPWSYSJ-UHFFFAOYSA-N 312.238 -1.001 5 20 DABD COCC(=O)N(CCO)CCNc1ncc([N+](=O)[O-])c(N)n1 1111420081 GWRLJEDHITZHDW-UHFFFAOYSA-N 314.302 -1.154 5 20 DABD CCCn1c(N)c(C(=O)Cn2cnc([N+](=O)[O-])n2)c(=O)[nH]c1=O 53835174 CVFJDYXKVCAMJL-UHFFFAOYSA-N 323.269 -1.089 5 20 DABD C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)NCCN(C)C 569961136 ZWTQWXJXMTUTDS-VIFPVBQESA-N 312.330 -1.026 5 20 DABD CN(C)C(=O)CN1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 1122899665 XUYBUPJDORAHJK-UHFFFAOYSA-N 311.346 -1.198 5 20 DABD O=C(NC1CN(C(=O)CCn2cncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991282064 VSCRSGFPJZWEMC-NXEZZACHSA-N 308.298 -1.340 5 20 DABD CNC(=O)[C@H](O)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 808047778 VWHAELBYQZIXAX-MRVPVSSYSA-N 318.311 -1.239 5 20 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NC(=O)C(=O)NC[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 1091395460 NOWUFBATNBPEIJ-OLQVQODUSA-N 309.286 -1.241 5 20 DABD NS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66872677 UWCMDHZSPGQGON-UHFFFAOYSA-N 324.340 -1.334 5 20 DABD COC(=O)NCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859182495 VDXSOUKBQUQMJS-UHFFFAOYSA-N 307.288 -1.037 5 20 DABD CN(C)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O 518009980 LOHNXFLPUFFHLW-QWRGUYRKSA-N 310.310 -1.110 5 20 DABD Cn1nnnc1CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1072726555 MHGZSJMOYCERTE-NXEZZACHSA-N 321.341 -1.090 5 20 DABD O=C(NCC1(O)CN(C(=O)Cn2nccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042976544 HRVFOUWWTORALW-RKDXNWHRSA-N 324.297 -2.367 5 20 DABD Cn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 1041413656 ZFTXOCGAWLYJBE-NXEZZACHSA-N 323.309 -1.612 5 20 DABD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 598021764 VNPWBVPJFPURMM-RNFRBKRXSA-N 304.284 -1.140 5 20 DABD CCS(=O)(=O)N1CC(CN=c2nc(N)c([N+](=O)[O-])c[nH]2)C1 438883607 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NC(=O)CN(CC(N)=O)C(=O)COc1ccc([N+](=O)[O-])cc1 263921914 PDMQKSOJRWDXIQ-UHFFFAOYSA-N 310.266 -1.227 5 20 DABD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)C(N)=O 352630368 NZZLTJPHYURTQW-SSDOTTSWSA-N 319.295 -1.272 5 20 DABD NC(=O)C(=O)N[C@H]1C[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 1068574524 PSJOQLVZKMRONQ-IZLXSQMJSA-N 309.286 -1.241 5 20 DABD COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])[nH]n1 285032443 FKQGVCSMPFUYDF-ZETCQYMHSA-N 311.254 -1.178 5 20 DABD COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593567140 ABLVXOQOWBNZMR-ZETCQYMHSA-N 305.268 -1.198 5 20 DABD Cn1c(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cnc1O 997433267 XRYVCYMQGBIGLY-HTQZYQBOSA-N 309.282 -1.269 5 20 DABD CS(=O)(=O)NCCNCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1157775834 ZMCWHCMYIQJVCU-RKDXNWHRSA-N 308.360 -1.703 5 20 DABD CNC(=O)NC(=O)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748920673 LIFSYAIQSVHINN-UHFFFAOYSA-N 312.238 -1.245 5 20 DABD NC(=O)C(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1080977323 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DABD O=C(Cc1cnoc1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1045110004 FFCIQFKMCPYUAN-NXEZZACHSA-N 324.293 -1.428 5 20 DABD O=C(NCC1(O)CN(C(=O)c2cncnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1042976600 KVFZXYILJYFUCB-NXEZZACHSA-N 321.293 -1.555 5 20 DABD O=C(CN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1cnccn1 1030292778 VIOHJOBRVZJMHZ-NXEZZACHSA-N 320.309 -1.119 5 20 DABD CN(C(=O)c1cc(=O)n(C)o1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954156898 BOWKLXRVPOZOBA-RKDXNWHRSA-N 324.293 -1.074 5 20 DABD CNC(=O)[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 809838131 QQFMYDPCGLIXBK-SECBINFHSA-N 303.296 -1.020 5 20 DABD NC(=O)C1(C(=O)N2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)CC1 976493049 KFSOQTRMOXQNDN-SPFKKGSWSA-N 322.321 -1.510 5 20 DABD Cn1nnc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)n1 1164148588 SYMNNWVOWJHVPJ-UHFFFAOYSA-N 323.317 -1.239 5 20 DABD NC(=O)CC(=O)N1CC2(CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1010592380 JBRGXDLZIKUHFV-NXEZZACHSA-N 324.337 -1.022 5 20 DABD 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311.302 -1.345 5 20 DABD Cn1cnn(CC(=O)OCCn2cc([N+](=O)[O-])ccc2=O)c1=O 781266093 GIWNBMUCPKWAFG-UHFFFAOYSA-N 323.265 -1.105 5 20 DABD Cn1nnc(CN2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 981137541 VODLFOGVFIGUMJ-NXEZZACHSA-N 309.330 -1.090 5 20 DABD NC(=O)NCC(=O)NCC1(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 1110043296 GWBSIZBIMRFUHO-UHFFFAOYSA-N 324.301 -1.304 5 20 DABD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)NC(N)=O 748917379 OEHMNQLFYXNBKR-LURJTMIESA-N 312.238 -1.117 5 20 DABD COC(=O)[C@@H](C)S(=O)(=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 797307000 VOWHDHWKDUBTOZ-ZCFIWIBFSA-N 320.283 -1.201 5 20 DABD CC(=O)N1CC(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1001795094 AQBVZLSROBOMPC-VXGBXAGGSA-N 324.337 -1.296 5 20 DABD NC(=O)CN1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 1339721091 HKHPVDWLERQJLU-UHFFFAOYSA-N 310.314 -1.143 5 20 DABD CN(C)S(=O)(=O)NCC(=O)NCCn1cc([N+](=O)[O-])cn1 597410085 IEOOJIXTLHAIST-UHFFFAOYSA-N 320.331 -1.697 5 20 DABD Cn1ncc([N+](=O)[O-])c1C(=O)N1CC(NS(C)(=O)=O)C1 600324045 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